*HEADER    ANTIMICROBIAL PROTEIN                   15-SEP-16   5LWC              
*TITLE     NMR SOLUTION STRUCTURE OF BACTERIOCIN BACSP222 FROM STAPHYLOCOCCUS    
*TITLE    2 PSEUDINTERMEDIUS 222                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BACTERIOCIN BACSP222;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 OTHER_DETAILS: THE FIRST METHIONINE IS N-FORMYLATED                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS PSEUDINTERMEDIUS;                
*SOURCE   3 ORGANISM_TAXID: 283734                                               
*KEYWDS    BACTERIOCIN, STRUCTURE FROM MOLMOL, ANTIMICROBIAL PROTEIN             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.E.NOWAKOWSKI,A.O.EJCHART,L.JAREMKO,B.WLADYKA,P.MAK                  
*REVDAT   1   25-OCT-17 5LWC    0                                                
# Restraints file 1: bakteriocyna_noe.tbl
assign	(resid	1	and	name	HA	)	(resid	1	and	name	HE*	)	4.83	4.83	0.2
assign	(resid	1	and	name	HA	)	(resid	4	and	name	HB1	)	3.63	3.63	0.2
assign	(resid	1	and	name	HA	)	(resid	4	and	name	HB2	)	4.66	4.66	0.2
assign	(resid	1	and	name	HA	)	(resid	4	and	name	HD*	)	4.31	4.31	0.2
assign	(resid	1	and	name	HA	)	(resid	30	and	name	HD*	)	4.05	4.05	0.2
assign	(resid	1	and	name	HB*	)	(resid	1	and	name	HE*	)	3.73	3.73	0.2
assign	(resid	1	and	name	HB*	)	(resid	2	and	name	HN	)	3.87	3.87	0.2
assign	(resid	1	and	name	HE*	)	(resid	5	and	name	HD1*	)	4.48	4.48	0.2
assign	(resid	1	and	name	HE*	)	(resid	23	and	name	HB	)	4.59	4.59	0.2
assign	(resid	1	and	name	HE*	)	(resid	23	and	name	HG1*	)	4.08	4.08	0.2
assign	(resid	1	and	name	HE*	)	(resid	23	and	name	HG2*	)	4.08	4.08	0.2
assign	(resid	1	and	name	HE*	)	(resid	23	and	name	HG*	)	2.95	2.95	0.2
assign	(resid	1	and	name	HE*	)	(resid	26	and	name	HB	)	4.11	4.11	0.2
assign	(resid	1	and	name	HE*	)	(resid	27	and	name	HD1	)	5	5	0.2
assign	(resid	1	and	name	HE*	)	(resid	27	and	name	HN	)	5.22	5.22	0.2
assign	(resid	1	and	name	HG*	)	(resid	5	and	name	HG	)	4.1	4.1	0.2
assign	(resid	1	and	name	HG*	)	(resid	5	and	name	HD1*	)	3.78	3.78	0.2
assign	(resid	1	and	name	HG*	)	(resid	23	and	name	HG*	)	5.04	5.04	0.2
assign	(resid	1	and	name	HG*	)	(resid	26	and	name	HG1*	)	5.34	5.34	0.2
assign	(resid	1	and	name	HG1	)	(resid	1	and	name	HE*	)	4.58	4.58	0.2
assign	(resid	1	and	name	HG1	)	(resid	5	and	name	HD1*	)	4.53	4.53	0.2
assign	(resid	1	and	name	HG1	)	(resid	5	and	name	HG	)	4.75	4.75	0.2
assign	(resid	1	and	name	HG2	)	(resid	1	and	name	HE*	)	4.58	4.58	0.2
assign	(resid	1	and	name	HG2	)	(resid	5	and	name	HD1*	)	4.53	4.53	0.2
assign	(resid	1	and	name	HG2	)	(resid	5	and	name	HG	)	4.75	4.75	0.2
assign	(resid	2	and	name	HA	)	(resid	5	and	name	HN	)	3.98	3.98	0.2
assign	(resid	2	and	name	HA	)	(resid	5	and	name	HB2	)	4.03	4.03	0.2
assign	(resid	2	and	name	HA	)	(resid	5	and	name	HD1*	)	4.06	4.06	0.2
assign	(resid	2	and	name	HB*	)	(resid	3	and	name	HN	)	3.91	3.91	0.2
assign	(resid	2	and	name	HN	)	(resid	2	and	name	HB*	)	3.22	3.22	0.2
assign	(resid	2	and	name	HN	)	(resid	4	and	name	HB1	)	5.5	5.5	0.2
assign	(resid	2	and	name	HN	)	(resid	5	and	name	HB2	)	5.22	5.22	0.2
assign	(resid	2	and	name	HN	)	(resid	5	and	name	HG	)	5.06	5.06	0.2
assign	(resid	3	and	name	HA1	)	(resid	6	and	name	HB*	)	4.79	4.79	0.2
assign	(resid	3	and	name	HA2	)	(resid	5	and	name	HN	)	4.77	4.77	0.2
assign	(resid	3	and	name	HA2	)	(resid	6	and	name	HB*	)	4.38	4.38	0.2
assign	(resid	3	and	name	HA2	)	(resid	6	and	name	HD*	)	4.55	4.55	0.2
assign	(resid	3	and	name	HN	)	(resid	4	and	name	HN	)	3.69	3.69	0.2
assign	(resid	3	and	name	HN	)	(resid	5	and	name	HB2	)	5.37	5.37	0.2
assign	(resid	4	and	name	HA	)	(resid	4	and	name	HD*	)	3.13	3.13	0.2
assign	(resid	4	and	name	HA	)	(resid	6	and	name	HN	)	5.03	5.03	0.2
assign	(resid	4	and	name	HA	)	(resid	36	and	name	HE1	)	4.56	4.56	0.2
assign	(resid	4	and	name	HB1	)	(resid	30	and	name	HD*	)	4.69	4.69	0.2
assign	(resid	4	and	name	HB1	)	(resid	36	and	name	HE1	)	5.18	5.18	0.2
assign	(resid	4	and	name	HB2	)	(resid	4	and	name	HD2*	)	4.12	4.12	0.2
assign	(resid	4	and	name	HB2	)	(resid	4	and	name	HD1*	)	4.12	4.12	0.2
assign	(resid	4	and	name	HB2	)	(resid	5	and	name	HN	)	4.88	4.88	0.2
assign	(resid	4	and	name	HB2	)	(resid	30	and	name	HD2*	)	4.55	4.55	0.2
assign	(resid	4	and	name	HB2	)	(resid	30	and	name	HD1*	)	4.55	4.55	0.2
assign	(resid	4	and	name	HB2	)	(resid	30	and	name	HD*	)	3.86	3.86	0.2
assign	(resid	4	and	name	HB2	)	(resid	36	and	name	HE1	)	4.08	4.08	0.2
assign	(resid	4	and	name	HD*	)	(resid	5	and	name	HG	)	3.86	3.86	0.2
assign	(resid	4	and	name	HD*	)	(resid	5	and	name	HD2*	)	2.79	2.79	0.2
assign	(resid	4	and	name	HD*	)	(resid	7	and	name	HD1	)	4.28	4.28	0.2
assign	(resid	4	and	name	HD*	)	(resid	8	and	name	HN	)	4.93	4.93	0.2
assign	(resid	4	and	name	HD*	)	(resid	8	and	name	HG	)	3.56	3.56	0.2
assign	(resid	4	and	name	HD*	)	(resid	8	and	name	HD*	)	2.85	2.85	0.2
assign	(resid	4	and	name	HD*	)	(resid	36	and	name	HA	)	3.32	3.32	0.2
assign	(resid	4	and	name	HD*	)	(resid	36	and	name	HD1	)	3.77	3.77	0.2
assign	(resid	4	and	name	HD*	)	(resid	36	and	name	HE1	)	4.49	4.49	0.2
assign	(resid	4	and	name	HD*	)	(resid	39	and	name	HB	)	4.28	4.28	0.2
assign	(resid	4	and	name	HD*	)	(resid	39	and	name	HG2*	)	3.61	3.61	0.2
assign	(resid	4	and	name	HD1*	)	(resid	8	and	name	HG	)	4.68	4.68	0.2
assign	(resid	4	and	name	HD1*	)	(resid	8	and	name	HD1*	)	3.98	3.98	0.2
assign	(resid	4	and	name	HD1*	)	(resid	8	and	name	HD2*	)	3.98	3.98	0.2
assign	(resid	4	and	name	HD2*	)	(resid	8	and	name	HG	)	4.68	4.68	0.2
assign	(resid	4	and	name	HD2*	)	(resid	8	and	name	HD1*	)	3.98	3.98	0.2
assign	(resid	4	and	name	HD2*	)	(resid	8	and	name	HD2*	)	3.98	3.98	0.2
assign	(resid	4	and	name	HN	)	(resid	4	and	name	HB1	)	3.33	3.33	0.2
assign	(resid	4	and	name	HN	)	(resid	4	and	name	HB2	)	3.54	3.54	0.2
assign	(resid	4	and	name	HN	)	(resid	5	and	name	HN	)	3.72	3.72	0.2
assign	(resid	4	and	name	HN	)	(resid	30	and	name	HD*	)	4.71	4.71	0.2
assign	(resid	5	and	name	HA	)	(resid	5	and	name	HG	)	4.2	4.2	0.2
assign	(resid	5	and	name	HA	)	(resid	5	and	name	HD2*	)	2.95	2.95	0.2
assign	(resid	5	and	name	HA	)	(resid	8	and	name	HN	)	4.21	4.21	0.2
assign	(resid	5	and	name	HA	)	(resid	8	and	name	HB*	)	3.77	3.77	0.2
assign	(resid	5	and	name	HA	)	(resid	8	and	name	HD*	)	4.04	4.04	0.2
assign	(resid	5	and	name	HA	)	(resid	16	and	name	HD2	)	4.46	4.46	0.2
assign	(resid	5	and	name	HA	)	(resid	16	and	name	HE2	)	4.7	4.7	0.2
assign	(resid	5	and	name	HB1	)	(resid	5	and	name	HD1*	)	3.84	3.84	0.2
assign	(resid	5	and	name	HB1	)	(resid	5	and	name	HD2*	)	3.34	3.34	0.2
assign	(resid	5	and	name	HB1	)	(resid	6	and	name	HN	)	5.41	5.41	0.2
assign	(resid	5	and	name	HB1	)	(resid	16	and	name	HD2	)	4.79	4.79	0.2
assign	(resid	5	and	name	HB1	)	(resid	16	and	name	HE2	)	3.25	3.25	0.2
assign	(resid	5	and	name	HB2	)	(resid	5	and	name	HD1*	)	3.71	3.71	0.2
assign	(resid	5	and	name	HB2	)	(resid	5	and	name	HD2*	)	3.65	3.65	0.2
assign	(resid	5	and	name	HB2	)	(resid	16	and	name	HE2	)	4.55	4.55	0.2
assign	(resid	5	and	name	HD1*	)	(resid	16	and	name	HE2	)	4.75	4.75	0.2
assign	(resid	5	and	name	HD2*	)	(resid	8	and	name	HD*	)	3.96	3.96	0.2
assign	(resid	5	and	name	HD2*	)	(resid	16	and	name	HE2	)	4.04	4.04	0.2
assign	(resid	5	and	name	HD2*	)	(resid	16	and	name	HD2	)	3.96	3.96	0.2
assign	(resid	5	and	name	HD2*	)	(resid	16	and	name	HA	)	5.08	5.08	0.2
assign	(resid	5	and	name	HD2*	)	(resid	19	and	name	HB*	)	3.18	3.18	0.2
assign	(resid	5	and	name	HN	)	(resid	5	and	name	HD2*	)	4.7	4.7	0.2
assign	(resid	5	and	name	HN	)	(resid	5	and	name	HD1*	)	4.85	4.85	0.2
assign	(resid	5	and	name	HN	)	(resid	5	and	name	HB1	)	4.15	4.15	0.2
assign	(resid	5	and	name	HN	)	(resid	5	and	name	HB2	)	3.59	3.59	0.2
assign	(resid	5	and	name	HN	)	(resid	6	and	name	HN	)	4.07	4.07	0.2
assign	(resid	5	and	name	HN	)	(resid	8	and	name	HD*	)	5.43	5.43	0.2
assign	(resid	6	and	name	HA	)	(resid	6	and	name	HG*	)	3.59	3.59	0.2
assign	(resid	6	and	name	HA	)	(resid	9	and	name	HB1	)	4.25	4.25	0.2
assign	(resid	6	and	name	HA	)	(resid	9	and	name	HB2	)	4.63	4.63	0.2
assign	(resid	6	and	name	HA	)	(resid	9	and	name	HN	)	4.12	4.12	0.2
assign	(resid	6	and	name	HA	)	(resid	9	and	name	HD*	)	4.8	4.8	0.2
assign	(resid	6	and	name	HB*	)	(resid	6	and	name	HD1	)	4.14	4.14	0.2
assign	(resid	6	and	name	HB*	)	(resid	6	and	name	HD2	)	4.14	4.14	0.2
assign	(resid	6	and	name	HB*	)	(resid	7	and	name	HN	)	3.77	3.77	0.2
assign	(resid	6	and	name	HD*	)	(resid	7	and	name	HA	)	3.74	3.74	0.2
assign	(resid	6	and	name	HN	)	(resid	6	and	name	HB*	)	3.27	3.27	0.2
assign	(resid	6	and	name	HN	)	(resid	6	and	name	HG*	)	5.34	5.34	0.2
assign	(resid	6	and	name	HN	)	(resid	7	and	name	HB*	)	4.91	4.91	0.2
assign	(resid	7	and	name	HA	)	(resid	7	and	name	HD2	)	4.33	4.33	0.2
assign	(resid	7	and	name	HB*	)	(resid	8	and	name	HN	)	3.59	3.59	0.2
assign	(resid	7	and	name	HB*	)	(resid	36	and	name	HB*	)	4.15	4.15	0.2
assign	(resid	7	and	name	HB*	)	(resid	36	and	name	HD2	)	5.05	5.05	0.2
assign	(resid	7	and	name	HB1	)	(resid	8	and	name	HN	)	4.42	4.42	0.2
assign	(resid	7	and	name	HB2	)	(resid	8	and	name	HN	)	4.42	4.42	0.2
assign	(resid	7	and	name	HD1	)	(resid	8	and	name	HG	)	5.24	5.24	0.2
assign	(resid	7	and	name	HD1	)	(resid	8	and	name	HN	)	4.31	4.31	0.2
assign	(resid	7	and	name	HD1	)	(resid	8	and	name	HD*	)	4.76	4.76	0.2
assign	(resid	7	and	name	HE1	)	(resid	11	and	name	HE2	)	4.73	4.73	0.2
assign	(resid	7	and	name	HE1	)	(resid	11	and	name	HE1	)	4.73	4.73	0.2
assign	(resid	7	and	name	HE1	)	(resid	11	and	name	HB2	)	4.83	4.83	0.2
assign	(resid	7	and	name	HE1	)	(resid	11	and	name	HG*	)	4.43	4.43	0.2
assign	(resid	7	and	name	HE1	)	(resid	11	and	name	HE*	)	3.91	3.91	0.2
assign	(resid	7	and	name	HE1	)	(resid	37	and	name	HA	)	4.02	4.02	0.2
assign	(resid	7	and	name	HE1	)	(resid	37	and	name	HB*	)	4.35	4.35	0.2
assign	(resid	7	and	name	HE1	)	(resid	37	and	name	HG*	)	4.78	4.78	0.2
assign	(resid	7	and	name	HE1	)	(resid	40	and	name	HB1	)	4.61	4.61	0.2
assign	(resid	7	and	name	HE1	)	(resid	40	and	name	HN	)	4.99	4.99	0.2
assign	(resid	7	and	name	HN	)	(resid	7	and	name	HB1	)	3.57	3.57	0.2
assign	(resid	7	and	name	HN	)	(resid	7	and	name	HB2	)	3.57	3.57	0.2
assign	(resid	7	and	name	HN	)	(resid	7	and	name	HB*	)	3.06	3.06	0.2
assign	(resid	7	and	name	HN	)	(resid	8	and	name	HN	)	3.86	3.86	0.2
assign	(resid	8	and	name	HA	)	(resid	8	and	name	HD*	)	2.92	2.92	0.2
assign	(resid	8	and	name	HA	)	(resid	11	and	name	HB2	)	4.51	4.51	0.2
assign	(resid	8	and	name	HA	)	(resid	11	and	name	HN	)	4.61	4.61	0.2
assign	(resid	8	and	name	HA	)	(resid	15	and	name	HD1*	)	3.54	3.54	0.2
assign	(resid	8	and	name	HB*	)	(resid	8	and	name	HD*	)	2.65	2.65	0.2
assign	(resid	8	and	name	HB*	)	(resid	9	and	name	HN	)	3.97	3.97	0.2
assign	(resid	8	and	name	HB*	)	(resid	15	and	name	HD1*	)	3.83	3.83	0.2
assign	(resid	8	and	name	HB1	)	(resid	16	and	name	HA	)	4.28	4.28	0.2
assign	(resid	8	and	name	HB2	)	(resid	16	and	name	HA	)	4.28	4.28	0.2
assign	(resid	8	and	name	HD*	)	(resid	15	and	name	HB*	)	3.2	3.2	0.2
assign	(resid	8	and	name	HD*	)	(resid	15	and	name	HD2*	)	3.81	3.81	0.2
assign	(resid	8	and	name	HD*	)	(resid	16	and	name	HN	)	5.44	5.44	0.2
assign	(resid	8	and	name	HD*	)	(resid	16	and	name	HA	)	3.96	3.96	0.2
assign	(resid	8	and	name	HD*	)	(resid	18	and	name	HB1	)	4.25	4.25	0.2
assign	(resid	8	and	name	HD*	)	(resid	18	and	name	HD1	)	3.99	3.99	0.2
assign	(resid	8	and	name	HD*	)	(resid	19	and	name	HB*	)	3.78	3.78	0.2
assign	(resid	8	and	name	HD*	)	(resid	40	and	name	HA	)	3.87	3.87	0.2
assign	(resid	8	and	name	HD*	)	(resid	40	and	name	HB2	)	3.52	3.52	0.2
assign	(resid	8	and	name	HD*	)	(resid	40	and	name	HB1	)	3.56	3.56	0.2
assign	(resid	8	and	name	HD*	)	(resid	40	and	name	HG*	)	4.05	4.05	0.2
assign	(resid	8	and	name	HD*	)	(resid	40	and	name	HD*	)	3.87	3.87	0.2
assign	(resid	8	and	name	HD*	)	(resid	43	and	name	HD1*	)	4.11	4.11	0.2
assign	(resid	8	and	name	HD1*	)	(resid	16	and	name	HA	)	4.58	4.58	0.2
assign	(resid	8	and	name	HD1*	)	(resid	18	and	name	HD1	)	4.67	4.67	0.2
assign	(resid	8	and	name	HD1*	)	(resid	19	and	name	HN	)	5.5	5.5	0.2
assign	(resid	8	and	name	HD2*	)	(resid	16	and	name	HA	)	4.58	4.58	0.2
assign	(resid	8	and	name	HD2*	)	(resid	18	and	name	HD1	)	4.67	4.67	0.2
assign	(resid	8	and	name	HD2*	)	(resid	19	and	name	HN	)	5.5	5.5	0.2
assign	(resid	8	and	name	HG	)	(resid	39	and	name	HG2*	)	5.29	5.29	0.2
assign	(resid	8	and	name	HG	)	(resid	40	and	name	HG*	)	5.5	5.5	0.2
assign	(resid	8	and	name	HN	)	(resid	8	and	name	HG	)	4.11	4.11	0.2
assign	(resid	8	and	name	HN	)	(resid	8	and	name	HD*	)	4.05	4.05	0.2
assign	(resid	8	and	name	HN	)	(resid	9	and	name	HN	)	4.1	4.1	0.2
assign	(resid	9	and	name	HA	)	(resid	9	and	name	HD*	)	3.1	3.1	0.2
assign	(resid	9	and	name	HA	)	(resid	16	and	name	HD1	)	5.36	5.36	0.2
assign	(resid	9	and	name	HA	)	(resid	16	and	name	HD2	)	5.5	5.5	0.2
assign	(resid	9	and	name	HA	)	(resid	16	and	name	HB1	)	4.23	4.23	0.2
assign	(resid	9	and	name	HA	)	(resid	16	and	name	HB2	)	3.71	3.71	0.2
assign	(resid	9	and	name	HB1	)	(resid	10	and	name	HN	)	4.12	4.12	0.2
assign	(resid	9	and	name	HB1	)	(resid	16	and	name	HB2	)	5.31	5.31	0.2
assign	(resid	9	and	name	HB1	)	(resid	16	and	name	HD2	)	5.29	5.29	0.2
assign	(resid	9	and	name	HB2	)	(resid	9	and	name	HD2*	)	4.17	4.17	0.2
assign	(resid	9	and	name	HB2	)	(resid	9	and	name	HD1*	)	4.17	4.17	0.2
assign	(resid	9	and	name	HB2	)	(resid	11	and	name	HN	)	5.5	5.5	0.2
assign	(resid	9	and	name	HB2	)	(resid	16	and	name	HD2	)	4.38	4.38	0.2
assign	(resid	9	and	name	HB2	)	(resid	16	and	name	HB1	)	5.21	5.21	0.2
assign	(resid	9	and	name	HB2	)	(resid	16	and	name	HB2	)	4.24	4.24	0.2
assign	(resid	9	and	name	HB2	)	(resid	16	and	name	HE2	)	4.18	4.18	0.2
assign	(resid	9	and	name	HD*	)	(resid	13	and	name	HA	)	3.28	3.28	0.2
assign	(resid	9	and	name	HD*	)	(resid	13	and	name	HB*	)	4.44	4.44	0.2
assign	(resid	9	and	name	HD*	)	(resid	13	and	name	HG*	)	3.82	3.82	0.2
assign	(resid	9	and	name	HD*	)	(resid	13	and	name	HD*	)	4.28	4.28	0.2
assign	(resid	9	and	name	HD*	)	(resid	16	and	name	HB2	)	4.35	4.35	0.2
assign	(resid	9	and	name	HD*	)	(resid	16	and	name	HB1	)	4.43	4.43	0.2
assign	(resid	9	and	name	HD*	)	(resid	16	and	name	HD1	)	4.22	4.22	0.2
assign	(resid	9	and	name	HD*	)	(resid	16	and	name	HE1	)	4.81	4.81	0.2
assign	(resid	9	and	name	HD*	)	(resid	16	and	name	HE2	)	5.44	5.44	0.2
assign	(resid	9	and	name	HD1*	)	(resid	16	and	name	HE1	)	5.5	5.5	0.2
assign	(resid	9	and	name	HD2*	)	(resid	16	and	name	HE1	)	5.5	5.5	0.2
assign	(resid	9	and	name	HN	)	(resid	9	and	name	HB1	)	3.57	3.57	0.2
assign	(resid	9	and	name	HN	)	(resid	9	and	name	HB2	)	3.43	3.43	0.2
assign	(resid	9	and	name	HN	)	(resid	9	and	name	HD1*	)	5.5	5.5	0.2
assign	(resid	9	and	name	HN	)	(resid	9	and	name	HD2*	)	5.5	5.5	0.2
assign	(resid	9	and	name	HN	)	(resid	10	and	name	HN	)	3.95	3.95	0.2
assign	(resid	9	and	name	HN	)	(resid	16	and	name	HD2	)	4.39	4.39	0.2
assign	(resid	10	and	name	HA	)	(resid	10	and	name	HB*	)	2.71	2.71	0.2
assign	(resid	10	and	name	HB*	)	(resid	11	and	name	HN	)	4.5	4.5	0.2
assign	(resid	10	and	name	HN	)	(resid	10	and	name	HB*	)	3.41	3.41	0.2
assign	(resid	10	and	name	HN	)	(resid	11	and	name	HB2	)	4.99	4.99	0.2
assign	(resid	10	and	name	HN	)	(resid	11	and	name	HG*	)	5.24	5.24	0.2
assign	(resid	11	and	name	HB2	)	(resid	15	and	name	HD1*	)	4	4	0.2
assign	(resid	11	and	name	HN	)	(resid	11	and	name	HG2	)	4.53	4.53	0.2
assign	(resid	11	and	name	HN	)	(resid	11	and	name	HG1	)	4.53	4.53	0.2
assign	(resid	11	and	name	HN	)	(resid	11	and	name	HG*	)	3.67	3.67	0.2
assign	(resid	11	and	name	HN	)	(resid	12	and	name	HN	)	3.41	3.41	0.2
assign	(resid	11	and	name	HN	)	(resid	15	and	name	HD1*	)	5.5	5.5	0.2
assign	(resid	12	and	name	HA1	)	(resid	13	and	name	HN	)	3.27	3.27	0.2
assign	(resid	12	and	name	HA1	)	(resid	14	and	name	HN	)	4.15	4.15	0.2
assign	(resid	12	and	name	HA2	)	(resid	15	and	name	HD1*	)	4.48	4.48	0.2
assign	(resid	13	and	name	HA	)	(resid	16	and	name	HB1	)	3.67	3.67	0.2
assign	(resid	13	and	name	HB*	)	(resid	14	and	name	HN	)	4.14	4.14	0.2
assign	(resid	13	and	name	HN	)	(resid	13	and	name	HB*	)	3.46	3.46	0.2
assign	(resid	13	and	name	HN	)	(resid	14	and	name	HA	)	4.76	4.76	0.2
assign	(resid	13	and	name	HN	)	(resid	14	and	name	HB*	)	3.71	3.71	0.2
assign	(resid	14	and	name	HA	)	(resid	17	and	name	HB*	)	3.9	3.9	0.2
assign	(resid	14	and	name	HN	)	(resid	14	and	name	HB*	)	3.21	3.21	0.2
assign	(resid	14	and	name	HN	)	(resid	15	and	name	HN	)	3.9	3.9	0.2
assign	(resid	15	and	name	HA	)	(resid	15	and	name	HD2*	)	3.76	3.76	0.2
assign	(resid	15	and	name	HA	)	(resid	18	and	name	HB2	)	4.22	4.22	0.2
assign	(resid	15	and	name	HA	)	(resid	18	and	name	HB1	)	4.59	4.59	0.2
assign	(resid	15	and	name	HA	)	(resid	18	and	name	HN	)	4.51	4.51	0.2
assign	(resid	15	and	name	HA	)	(resid	43	and	name	HG2*	)	3.33	3.33	0.2
assign	(resid	15	and	name	HA	)	(resid	43	and	name	HD1*	)	4.97	4.97	0.2
assign	(resid	15	and	name	HA	)	(resid	47	and	name	HD*	)	4.66	4.66	0.2
assign	(resid	15	and	name	HB*	)	(resid	16	and	name	HN	)	3.53	3.53	0.2
assign	(resid	15	and	name	HB*	)	(resid	16	and	name	HA	)	4.81	4.81	0.2
assign	(resid	15	and	name	HB*	)	(resid	43	and	name	HG2*	)	3.95	3.95	0.2
assign	(resid	15	and	name	HB*	)	(resid	43	and	name	HD1*	)	4.56	4.56	0.2
assign	(resid	15	and	name	HB1	)	(resid	15	and	name	HD1*	)	4.06	4.06	0.2
assign	(resid	15	and	name	HB1	)	(resid	15	and	name	HD2*	)	4	4	0.2
assign	(resid	15	and	name	HB1	)	(resid	43	and	name	HG2*	)	4.56	4.56	0.2
assign	(resid	15	and	name	HB2	)	(resid	15	and	name	HD1*	)	4.06	4.06	0.2
assign	(resid	15	and	name	HB2	)	(resid	15	and	name	HD2*	)	4	4	0.2
assign	(resid	15	and	name	HB2	)	(resid	43	and	name	HG2*	)	4.56	4.56	0.2
assign	(resid	15	and	name	HD1*	)	(resid	16	and	name	HN	)	5.5	5.5	0.2
assign	(resid	15	and	name	HD1*	)	(resid	40	and	name	HB1	)	4.43	4.43	0.2
assign	(resid	15	and	name	HD1*	)	(resid	40	and	name	HG*	)	4.27	4.27	0.2
assign	(resid	15	and	name	HD1*	)	(resid	40	and	name	HA	)	4.33	4.33	0.2
assign	(resid	15	and	name	HD1*	)	(resid	40	and	name	HB2	)	4.29	4.29	0.2
assign	(resid	15	and	name	HD1*	)	(resid	40	and	name	HN	)	4.98	4.98	0.2
assign	(resid	15	and	name	HD1*	)	(resid	40	and	name	HE*	)	4.88	4.88	0.2
assign	(resid	15	and	name	HD2*	)	(resid	40	and	name	HG*	)	4.17	4.17	0.2
assign	(resid	15	and	name	HD2*	)	(resid	40	and	name	HA	)	4.79	4.79	0.2
assign	(resid	15	and	name	HD2*	)	(resid	40	and	name	HD*	)	3.39	3.39	0.2
assign	(resid	15	and	name	HD2*	)	(resid	44	and	name	HG2	)	3.55	3.55	0.2
assign	(resid	15	and	name	HD2*	)	(resid	44	and	name	HA	)	4.16	4.16	0.2
assign	(resid	15	and	name	HD2*	)	(resid	44	and	name	HG1	)	4.84	4.84	0.2
assign	(resid	15	and	name	HD2*	)	(resid	44	and	name	HN	)	4.59	4.59	0.2
assign	(resid	15	and	name	HN	)	(resid	15	and	name	HG	)	3.55	3.55	0.2
assign	(resid	15	and	name	HN	)	(resid	15	and	name	HD1*	)	4.4	4.4	0.2
assign	(resid	15	and	name	HN	)	(resid	15	and	name	HD2*	)	4.91	4.91	0.2
assign	(resid	15	and	name	HN	)	(resid	15	and	name	HB*	)	3.46	3.46	0.2
assign	(resid	15	and	name	HN	)	(resid	16	and	name	HN	)	3.54	3.54	0.2
assign	(resid	15	and	name	HN	)	(resid	40	and	name	HB2	)	5.5	5.5	0.2
assign	(resid	16	and	name	HA	)	(resid	16	and	name	HD2	)	3.61	3.61	0.2
assign	(resid	16	and	name	HA	)	(resid	19	and	name	HB*	)	4	4	0.2
assign	(resid	16	and	name	HB1	)	(resid	16	and	name	HD1	)	3.36	3.36	0.2
assign	(resid	16	and	name	HB1	)	(resid	17	and	name	HN	)	3.73	3.73	0.2
assign	(resid	16	and	name	HB2	)	(resid	16	and	name	HD2	)	3.47	3.47	0.2
assign	(resid	16	and	name	HB2	)	(resid	17	and	name	HN	)	4.88	4.88	0.2
assign	(resid	16	and	name	HD1	)	(resid	17	and	name	HA	)	4.57	4.57	0.2
assign	(resid	16	and	name	HD1	)	(resid	17	and	name	HN	)	3.99	3.99	0.2
assign	(resid	16	and	name	HE1	)	(resid	20	and	name	HD*	)	4.47	4.47	0.2
assign	(resid	16	and	name	HN	)	(resid	16	and	name	HD1	)	5.11	5.11	0.2
assign	(resid	16	and	name	HN	)	(resid	16	and	name	HD2	)	5.5	5.5	0.2
assign	(resid	16	and	name	HN	)	(resid	16	and	name	HB1	)	3.39	3.39	0.2
assign	(resid	16	and	name	HN	)	(resid	16	and	name	HB2	)	3.68	3.68	0.2
assign	(resid	16	and	name	HN	)	(resid	17	and	name	HN	)	3.9	3.9	0.2
assign	(resid	17	and	name	HA	)	(resid	20	and	name	HN	)	4.74	4.74	0.2
assign	(resid	17	and	name	HA	)	(resid	20	and	name	HB*	)	3.83	3.83	0.2
assign	(resid	17	and	name	HB*	)	(resid	18	and	name	HN	)	3.84	3.84	0.2
assign	(resid	17	and	name	HB*	)	(resid	20	and	name	HB*	)	4.6	4.6	0.2
assign	(resid	17	and	name	HN	)	(resid	17	and	name	HB*	)	3.41	3.41	0.2
assign	(resid	17	and	name	HN	)	(resid	18	and	name	HN	)	4.07	4.07	0.2
assign	(resid	18	and	name	HA	)	(resid	20	and	name	HN	)	4.71	4.71	0.2
assign	(resid	18	and	name	HA	)	(resid	21	and	name	HN	)	5.28	5.28	0.2
assign	(resid	18	and	name	HB1	)	(resid	19	and	name	HN	)	4.46	4.46	0.2
assign	(resid	18	and	name	HB1	)	(resid	43	and	name	HG2*	)	4.19	4.19	0.2
assign	(resid	18	and	name	HB2	)	(resid	43	and	name	HG2*	)	3.8	3.8	0.2
assign	(resid	18	and	name	HE1	)	(resid	25	and	name	HB1	)	5.5	5.5	0.2
assign	(resid	18	and	name	HE1	)	(resid	25	and	name	HB2	)	5.5	5.5	0.2
assign	(resid	18	and	name	HE1	)	(resid	25	and	name	HG*	)	4.43	4.43	0.2
assign	(resid	18	and	name	HN	)	(resid	18	and	name	HB1	)	3.33	3.33	0.2
assign	(resid	18	and	name	HN	)	(resid	19	and	name	HN	)	3.65	3.65	0.2
assign	(resid	18	and	name	HZ2	)	(resid	25	and	name	HA	)	5.5	5.5	0.2
assign	(resid	18	and	name	HZ2	)	(resid	25	and	name	HB1	)	4.32	4.32	0.2
assign	(resid	18	and	name	HZ2	)	(resid	25	and	name	HB2	)	4.32	4.32	0.2
assign	(resid	19	and	name	HA	)	(resid	26	and	name	HG2*	)	3.24	3.24	0.2
assign	(resid	19	and	name	HA	)	(resid	26	and	name	HG1*	)	5.42	5.42	0.2
assign	(resid	19	and	name	HB*	)	(resid	20	and	name	HN	)	3.96	3.96	0.2
assign	(resid	19	and	name	HB*	)	(resid	26	and	name	HG2*	)	3.2	3.2	0.2
assign	(resid	19	and	name	HN	)	(resid	19	and	name	HB*	)	3.38	3.38	0.2
assign	(resid	19	and	name	HN	)	(resid	20	and	name	HN	)	3.91	3.91	0.2
assign	(resid	19	and	name	HN	)	(resid	20	and	name	HB*	)	5.2	5.2	0.2
assign	(resid	19	and	name	HN	)	(resid	43	and	name	HD1*	)	4.83	4.83	0.2
assign	(resid	19	and	name	HN	)	(resid	43	and	name	HG2*	)	5.38	5.38	0.2
assign	(resid	20	and	name	HA	)	(resid	20	and	name	HD*	)	3.94	3.94	0.2
assign	(resid	20	and	name	HA	)	(resid	20	and	name	HG*	)	3.51	3.51	0.2
assign	(resid	20	and	name	HB*	)	(resid	21	and	name	HN	)	3.97	3.97	0.2
assign	(resid	20	and	name	HN	)	(resid	20	and	name	HB*	)	3.19	3.19	0.2
assign	(resid	20	and	name	HN	)	(resid	20	and	name	HG*	)	4.51	4.51	0.2
assign	(resid	20	and	name	HN	)	(resid	21	and	name	HN	)	3.93	3.93	0.2
assign	(resid	21	and	name	HB*	)	(resid	22	and	name	HN	)	4.19	4.19	0.2
assign	(resid	22	and	name	HB*	)	(resid	23	and	name	HN	)	4.25	4.25	0.2
assign	(resid	22	and	name	HB*	)	(resid	23	and	name	HG*	)	5.28	5.28	0.2
assign	(resid	22	and	name	HB*	)	(resid	25	and	name	HN	)	5.34	5.34	0.2
assign	(resid	22	and	name	HB*	)	(resid	25	and	name	HB*	)	4.07	4.07	0.2
assign	(resid	22	and	name	HB1	)	(resid	23	and	name	HN	)	4.86	4.86	0.2
assign	(resid	22	and	name	HB2	)	(resid	23	and	name	HN	)	4.86	4.86	0.2
assign	(resid	22	and	name	HN	)	(resid	23	and	name	HA	)	4.34	4.34	0.2
assign	(resid	22	and	name	HN	)	(resid	23	and	name	HG2*	)	5.5	5.5	0.2
assign	(resid	22	and	name	HN	)	(resid	23	and	name	HG1*	)	5.5	5.5	0.2
assign	(resid	22	and	name	HN	)	(resid	23	and	name	HG*	)	4.21	4.21	0.2
assign	(resid	23	and	name	HA	)	(resid	23	and	name	HG1*	)	3.83	3.83	0.2
assign	(resid	23	and	name	HA	)	(resid	23	and	name	HG2*	)	3.83	3.83	0.2
assign	(resid	23	and	name	HA	)	(resid	25	and	name	HN	)	4.61	4.61	0.2
assign	(resid	23	and	name	HA	)	(resid	26	and	name	HB	)	3.83	3.83	0.2
assign	(resid	23	and	name	HA	)	(resid	26	and	name	HG2*	)	3.69	3.69	0.2
assign	(resid	23	and	name	HA	)	(resid	26	and	name	HN	)	4.3	4.3	0.2
assign	(resid	23	and	name	HB	)	(resid	24	and	name	HN	)	4.56	4.56	0.2
assign	(resid	23	and	name	HG*	)	(resid	24	and	name	HN	)	4.43	4.43	0.2
assign	(resid	23	and	name	HG*	)	(resid	24	and	name	HA*	)	4.57	4.57	0.2
assign	(resid	23	and	name	HG*	)	(resid	25	and	name	HN	)	5.44	5.44	0.2
assign	(resid	23	and	name	HG*	)	(resid	26	and	name	HN	)	5.03	5.03	0.2
assign	(resid	23	and	name	HG*	)	(resid	26	and	name	HG2*	)	4.16	4.16	0.2
assign	(resid	23	and	name	HG1*	)	(resid	24	and	name	HN	)	5.08	5.08	0.2
assign	(resid	23	and	name	HG2*	)	(resid	24	and	name	HN	)	5.08	5.08	0.2
assign	(resid	23	and	name	HN	)	(resid	23	and	name	HB	)	3.61	3.61	0.2
assign	(resid	23	and	name	HN	)	(resid	23	and	name	HG*	)	3.81	3.81	0.2
assign	(resid	23	and	name	HN	)	(resid	24	and	name	HN	)	4.34	4.34	0.2
assign	(resid	24	and	name	HN	)	(resid	25	and	name	HN	)	3.77	3.77	0.2
assign	(resid	25	and	name	HA	)	(resid	25	and	name	HD*	)	3.7	3.7	0.2
assign	(resid	25	and	name	HA	)	(resid	25	and	name	HE*	)	4.87	4.87	0.2
assign	(resid	25	and	name	HA	)	(resid	28	and	name	HB*	)	3.76	3.76	0.2
assign	(resid	25	and	name	HB*	)	(resid	26	and	name	HN	)	3.76	3.76	0.2
assign	(resid	25	and	name	HB*	)	(resid	29	and	name	HH2	)	4.99	4.99	0.2
assign	(resid	25	and	name	HD*	)	(resid	29	and	name	HZ2	)	4.21	4.21	0.2
assign	(resid	25	and	name	HD*	)	(resid	29	and	name	HE1	)	5.33	5.33	0.2
assign	(resid	25	and	name	HG*	)	(resid	29	and	name	HZ2	)	5.17	5.17	0.2
assign	(resid	25	and	name	HN	)	(resid	25	and	name	HB2	)	3.58	3.58	0.2
assign	(resid	25	and	name	HN	)	(resid	25	and	name	HB1	)	3.58	3.58	0.2
assign	(resid	25	and	name	HN	)	(resid	25	and	name	HG*	)	5.02	5.02	0.2
assign	(resid	25	and	name	HN	)	(resid	26	and	name	HN	)	3.93	3.93	0.2
assign	(resid	26	and	name	HA	)	(resid	26	and	name	HG1*	)	3.5	3.5	0.2
assign	(resid	26	and	name	HA	)	(resid	26	and	name	HG2*	)	3.23	3.23	0.2
assign	(resid	26	and	name	HB	)	(resid	27	and	name	HN	)	3.83	3.83	0.2
assign	(resid	26	and	name	HG1*	)	(resid	27	and	name	HN	)	4.66	4.66	0.2
assign	(resid	26	and	name	HG2*	)	(resid	27	and	name	HN	)	5.01	5.01	0.2
assign	(resid	26	and	name	HN	)	(resid	26	and	name	HG1*	)	4.45	4.45	0.2
assign	(resid	26	and	name	HN	)	(resid	26	and	name	HB	)	3.52	3.52	0.2
assign	(resid	26	and	name	HN	)	(resid	26	and	name	HG2*	)	3.5	3.5	0.2
assign	(resid	26	and	name	HN	)	(resid	27	and	name	HN	)	3.67	3.67	0.2
assign	(resid	27	and	name	HB*	)	(resid	27	and	name	HD1	)	3.33	3.33	0.2
assign	(resid	27	and	name	HB1	)	(resid	29	and	name	HN	)	5.5	5.5	0.2
assign	(resid	27	and	name	HB2	)	(resid	29	and	name	HN	)	5.5	5.5	0.2
assign	(resid	27	and	name	HN	)	(resid	27	and	name	HB*	)	3.45	3.45	0.2
assign	(resid	27	and	name	HN	)	(resid	28	and	name	HN	)	3.85	3.85	0.2
assign	(resid	28	and	name	HA	)	(resid	31	and	name	HB*	)	3.74	3.74	0.2
assign	(resid	28	and	name	HA	)	(resid	31	and	name	HN	)	4.82	4.82	0.2
assign	(resid	28	and	name	HB*	)	(resid	29	and	name	HZ3	)	4.49	4.49	0.2
assign	(resid	28	and	name	HB*	)	(resid	29	and	name	HN	)	3.68	3.68	0.2
assign	(resid	28	and	name	HG*	)	(resid	29	and	name	HH2	)	5.11	5.11	0.2
assign	(resid	28	and	name	HN	)	(resid	28	and	name	HB*	)	3.21	3.21	0.2
assign	(resid	28	and	name	HN	)	(resid	28	and	name	HG*	)	4.59	4.59	0.2
assign	(resid	28	and	name	HN	)	(resid	29	and	name	HB2	)	5.42	5.42	0.2
assign	(resid	28	and	name	HN	)	(resid	29	and	name	HN	)	3.78	3.78	0.2
assign	(resid	28	and	name	HN	)	(resid	30	and	name	HN	)	5.5	5.5	0.2
assign	(resid	29	and	name	HB1	)	(resid	30	and	name	HN	)	3.89	3.89	0.2
assign	(resid	29	and	name	HB1	)	(resid	34	and	name	HB*	)	4.4	4.4	0.2
assign	(resid	29	and	name	HB1	)	(resid	35	and	name	HN	)	5.5	5.5	0.2
assign	(resid	29	and	name	HB1	)	(resid	39	and	name	HN	)	5.5	5.5	0.2
assign	(resid	29	and	name	HB1	)	(resid	39	and	name	HG2*	)	4.69	4.69	0.2
assign	(resid	29	and	name	HB1	)	(resid	39	and	name	HG1*	)	4.33	4.33	0.2
assign	(resid	29	and	name	HB2	)	(resid	30	and	name	HN	)	4.34	4.34	0.2
assign	(resid	29	and	name	HB2	)	(resid	30	and	name	HD*	)	4.33	4.33	0.2
assign	(resid	29	and	name	HB2	)	(resid	34	and	name	HB*	)	3.89	3.89	0.2
assign	(resid	29	and	name	HB2	)	(resid	39	and	name	HG2*	)	4.6	4.6	0.2
assign	(resid	29	and	name	HB2	)	(resid	39	and	name	HG11	)	4.54	4.54	0.2
assign	(resid	29	and	name	HB2	)	(resid	39	and	name	HD1*	)	4.65	4.65	0.2
assign	(resid	29	and	name	HB2	)	(resid	39	and	name	HG12	)	4.54	4.54	0.2
assign	(resid	29	and	name	HB2	)	(resid	39	and	name	HG1*	)	3.87	3.87	0.2
assign	(resid	29	and	name	HB2	)	(resid	42	and	name	HZ3	)	5	5	0.2
assign	(resid	29	and	name	HD1	)	(resid	34	and	name	HB*	)	5.44	5.44	0.2
assign	(resid	29	and	name	HH2	)	(resid	42	and	name	HB2	)	5.5	5.5	0.2
assign	(resid	29	and	name	HN	)	(resid	29	and	name	HD1	)	5.36	5.36	0.2
assign	(resid	29	and	name	HN	)	(resid	29	and	name	HB1	)	4.16	4.16	0.2
assign	(resid	29	and	name	HN	)	(resid	29	and	name	HB2	)	4.12	4.12	0.2
assign	(resid	29	and	name	HN	)	(resid	30	and	name	HN	)	3.93	3.93	0.2
assign	(resid	29	and	name	HN	)	(resid	34	and	name	HB*	)	5.44	5.44	0.2
assign	(resid	29	and	name	HZ3	)	(resid	39	and	name	HG2*	)	5.26	5.26	0.2
assign	(resid	30	and	name	HA	)	(resid	30	and	name	HD1*	)	4.52	4.52	0.2
assign	(resid	30	and	name	HA	)	(resid	30	and	name	HD2*	)	4.52	4.52	0.2
assign	(resid	30	and	name	HA	)	(resid	30	and	name	HD*	)	3	3	0.2
assign	(resid	30	and	name	HB*	)	(resid	31	and	name	HN	)	3.96	3.96	0.2
assign	(resid	30	and	name	HB1	)	(resid	30	and	name	HD2*	)	4.14	4.14	0.2
assign	(resid	30	and	name	HB1	)	(resid	30	and	name	HD1*	)	4.14	4.14	0.2
assign	(resid	30	and	name	HB2	)	(resid	30	and	name	HD2*	)	4.14	4.14	0.2
assign	(resid	30	and	name	HB2	)	(resid	30	and	name	HD1*	)	4.14	4.14	0.2
assign	(resid	30	and	name	HD*	)	(resid	36	and	name	HD1	)	4.09	4.09	0.2
assign	(resid	30	and	name	HD*	)	(resid	36	and	name	HE1	)	3.48	3.48	0.2
assign	(resid	30	and	name	HD1*	)	(resid	36	and	name	HE1	)	4.16	4.16	0.2
assign	(resid	30	and	name	HD2*	)	(resid	36	and	name	HE1	)	4.16	4.16	0.2
assign	(resid	30	and	name	HN	)	(resid	30	and	name	HG	)	3.99	3.99	0.2
assign	(resid	30	and	name	HN	)	(resid	30	and	name	HB*	)	3.37	3.37	0.2
assign	(resid	30	and	name	HN	)	(resid	30	and	name	HD*	)	4.28	4.28	0.2
assign	(resid	31	and	name	HA	)	(resid	31	and	name	HG2	)	4.19	4.19	0.2
assign	(resid	31	and	name	HA	)	(resid	31	and	name	HD*	)	4.72	4.72	0.2
assign	(resid	31	and	name	HA	)	(resid	31	and	name	HG1	)	4.19	4.19	0.2
assign	(resid	31	and	name	HA	)	(resid	31	and	name	HG*	)	3.61	3.61	0.2
assign	(resid	31	and	name	HB*	)	(resid	31	and	name	HD*	)	3.69	3.69	0.2
assign	(resid	31	and	name	HB*	)	(resid	32	and	name	HN	)	4.08	4.08	0.2
assign	(resid	31	and	name	HN	)	(resid	31	and	name	HB*	)	3.22	3.22	0.2
assign	(resid	31	and	name	HN	)	(resid	31	and	name	HG2	)	5.16	5.16	0.2
assign	(resid	31	and	name	HN	)	(resid	31	and	name	HD*	)	5.1	5.1	0.2
assign	(resid	31	and	name	HN	)	(resid	31	and	name	HG1	)	5.16	5.16	0.2
assign	(resid	31	and	name	HN	)	(resid	31	and	name	HG*	)	4.41	4.41	0.2
assign	(resid	31	and	name	HN	)	(resid	32	and	name	HN	)	3.82	3.82	0.2
assign	(resid	32	and	name	HB*	)	(resid	33	and	name	HN	)	3.95	3.95	0.2
assign	(resid	32	and	name	HB1	)	(resid	33	and	name	HN	)	4.52	4.52	0.2
assign	(resid	32	and	name	HB2	)	(resid	33	and	name	HN	)	4.52	4.52	0.2
assign	(resid	32	and	name	HN	)	(resid	32	and	name	HB*	)	3.37	3.37	0.2
assign	(resid	32	and	name	HN	)	(resid	33	and	name	HA2	)	5.19	5.19	0.2
assign	(resid	32	and	name	HN	)	(resid	33	and	name	HA1	)	5.19	5.19	0.2
assign	(resid	32	and	name	HN	)	(resid	33	and	name	HA*	)	4.56	4.56	0.2
assign	(resid	33	and	name	HN	)	(resid	34	and	name	HN	)	3.57	3.57	0.2
assign	(resid	33	and	name	HN	)	(resid	34	and	name	HB*	)	5.46	5.46	0.2
assign	(resid	34	and	name	HA	)	(resid	35	and	name	HG2*	)	4.67	4.67	0.2
assign	(resid	34	and	name	HA	)	(resid	35	and	name	HN	)	3.2	3.2	0.2
assign	(resid	34	and	name	HB*	)	(resid	35	and	name	HN	)	3.55	3.55	0.2
assign	(resid	34	and	name	HB*	)	(resid	38	and	name	HN	)	5.21	5.21	0.2
assign	(resid	34	and	name	HB*	)	(resid	38	and	name	HB*	)	4.39	4.39	0.2
assign	(resid	34	and	name	HB*	)	(resid	39	and	name	HD1*	)	3.39	3.39	0.2
assign	(resid	34	and	name	HB*	)	(resid	39	and	name	HB	)	5.32	5.32	0.2
assign	(resid	34	and	name	HB*	)	(resid	39	and	name	HA	)	4.76	4.76	0.2
assign	(resid	34	and	name	HB*	)	(resid	39	and	name	HN	)	4.77	4.77	0.2
assign	(resid	34	and	name	HB*	)	(resid	39	and	name	HG1*	)	3.12	3.12	0.2
assign	(resid	34	and	name	HB*	)	(resid	42	and	name	HE3	)	5.09	5.09	0.2
assign	(resid	34	and	name	HB*	)	(resid	42	and	name	HZ3	)	3.42	3.42	0.2
assign	(resid	34	and	name	HB*	)	(resid	42	and	name	HZ2	)	5.5	5.5	0.2
assign	(resid	34	and	name	HB*	)	(resid	42	and	name	HH2	)	3.61	3.61	0.2
assign	(resid	34	and	name	HN	)	(resid	34	and	name	HB*	)	3.3	3.3	0.2
assign	(resid	35	and	name	HA	)	(resid	35	and	name	HG2*	)	3.19	3.19	0.2
assign	(resid	35	and	name	HA	)	(resid	36	and	name	HN	)	3.19	3.19	0.2
assign	(resid	35	and	name	HB	)	(resid	36	and	name	HN	)	3.53	3.53	0.2
assign	(resid	35	and	name	HB	)	(resid	37	and	name	HN	)	3.94	3.94	0.2
assign	(resid	35	and	name	HG2*	)	(resid	36	and	name	HN	)	4.58	4.58	0.2
assign	(resid	35	and	name	HN	)	(resid	35	and	name	HG2*	)	4.05	4.05	0.2
assign	(resid	35	and	name	HN	)	(resid	38	and	name	HB1	)	4.61	4.61	0.2
assign	(resid	35	and	name	HN	)	(resid	38	and	name	HB2	)	4.61	4.61	0.2
assign	(resid	35	and	name	HN	)	(resid	38	and	name	HN	)	5.36	5.36	0.2
assign	(resid	35	and	name	HN	)	(resid	38	and	name	HB*	)	4.05	4.05	0.2
assign	(resid	35	and	name	HN	)	(resid	38	and	name	HG*	)	5.34	5.34	0.2
assign	(resid	35	and	name	HN	)	(resid	39	and	name	HG1*	)	4.83	4.83	0.2
assign	(resid	36	and	name	HA	)	(resid	36	and	name	HE1	)	4.77	4.77	0.2
assign	(resid	36	and	name	HA	)	(resid	36	and	name	HD1	)	3.42	3.42	0.2
assign	(resid	36	and	name	HA	)	(resid	39	and	name	HD1*	)	4.19	4.19	0.2
assign	(resid	36	and	name	HA	)	(resid	39	and	name	HB	)	3.91	3.91	0.2
assign	(resid	36	and	name	HA	)	(resid	39	and	name	HN	)	4.85	4.85	0.2
assign	(resid	36	and	name	HB*	)	(resid	37	and	name	HN	)	3.87	3.87	0.2
assign	(resid	36	and	name	HN	)	(resid	36	and	name	HD1	)	4.17	4.17	0.2
assign	(resid	36	and	name	HN	)	(resid	36	and	name	HD2	)	4.41	4.41	0.2
assign	(resid	36	and	name	HN	)	(resid	36	and	name	HB*	)	3.47	3.47	0.2
assign	(resid	36	and	name	HN	)	(resid	37	and	name	HN	)	3.97	3.97	0.2
assign	(resid	37	and	name	HA	)	(resid	37	and	name	HG*	)	3.55	3.55	0.2
assign	(resid	37	and	name	HA	)	(resid	40	and	name	HB1	)	4.84	4.84	0.2
assign	(resid	37	and	name	HA	)	(resid	40	and	name	HN	)	4.37	4.37	0.2
assign	(resid	37	and	name	HB*	)	(resid	38	and	name	HN	)	3.95	3.95	0.2
assign	(resid	37	and	name	HG*	)	(resid	38	and	name	HN	)	4.95	4.95	0.2
assign	(resid	37	and	name	HN	)	(resid	37	and	name	HB*	)	3.45	3.45	0.2
assign	(resid	37	and	name	HN	)	(resid	38	and	name	HN	)	3.94	3.94	0.2
assign	(resid	38	and	name	HA	)	(resid	38	and	name	HG2	)	4.21	4.21	0.2
assign	(resid	38	and	name	HA	)	(resid	38	and	name	HG1	)	4.21	4.21	0.2
assign	(resid	38	and	name	HA	)	(resid	38	and	name	HG*	)	3.37	3.37	0.2
assign	(resid	38	and	name	HA	)	(resid	41	and	name	HA	)	5.2	5.2	0.2
assign	(resid	38	and	name	HA	)	(resid	41	and	name	HB*	)	3.54	3.54	0.2
assign	(resid	38	and	name	HA	)	(resid	41	and	name	HN	)	4.52	4.52	0.2
assign	(resid	38	and	name	HA	)	(resid	42	and	name	HN	)	5.47	5.47	0.2
assign	(resid	38	and	name	HB*	)	(resid	39	and	name	HN	)	4.41	4.41	0.2
assign	(resid	38	and	name	HB1	)	(resid	41	and	name	HN	)	5.5	5.5	0.2
assign	(resid	38	and	name	HB2	)	(resid	41	and	name	HN	)	5.5	5.5	0.2
assign	(resid	38	and	name	HG*	)	(resid	41	and	name	HN	)	4.74	4.74	0.2
assign	(resid	38	and	name	HG*	)	(resid	42	and	name	HD1	)	4.77	4.77	0.2
assign	(resid	38	and	name	HG*	)	(resid	42	and	name	HE3	)	5.03	5.03	0.2
assign	(resid	38	and	name	HG*	)	(resid	42	and	name	HZ2	)	4.98	4.98	0.2
assign	(resid	38	and	name	HG1	)	(resid	41	and	name	HN	)	5.5	5.5	0.2
assign	(resid	38	and	name	HG1	)	(resid	42	and	name	HD1	)	5.5	5.5	0.2
assign	(resid	38	and	name	HG2	)	(resid	41	and	name	HN	)	5.5	5.5	0.2
assign	(resid	38	and	name	HG2	)	(resid	42	and	name	HD1	)	5.5	5.5	0.2
assign	(resid	38	and	name	HN	)	(resid	38	and	name	HB2	)	4.04	4.04	0.2
assign	(resid	38	and	name	HN	)	(resid	38	and	name	HB1	)	4.04	4.04	0.2
assign	(resid	38	and	name	HN	)	(resid	38	and	name	HB*	)	3.31	3.31	0.2
assign	(resid	38	and	name	HN	)	(resid	38	and	name	HG*	)	4.58	4.58	0.2
assign	(resid	38	and	name	HN	)	(resid	39	and	name	HN	)	3.9	3.9	0.2
assign	(resid	39	and	name	HA	)	(resid	39	and	name	HG12	)	3.75	3.75	0.2
assign	(resid	39	and	name	HA	)	(resid	39	and	name	HG2*	)	3.36	3.36	0.2
assign	(resid	39	and	name	HA	)	(resid	39	and	name	HG11	)	3.75	3.75	0.2
assign	(resid	39	and	name	HA	)	(resid	39	and	name	HD1*	)	4.45	4.45	0.2
assign	(resid	39	and	name	HA	)	(resid	39	and	name	HG1*	)	3.17	3.17	0.2
assign	(resid	39	and	name	HA	)	(resid	42	and	name	HE3	)	3.66	3.66	0.2
assign	(resid	39	and	name	HA	)	(resid	42	and	name	HB2	)	3.85	3.85	0.2
assign	(resid	39	and	name	HA	)	(resid	42	and	name	HN	)	4.53	4.53	0.2
assign	(resid	39	and	name	HB	)	(resid	39	and	name	HD1*	)	3.71	3.71	0.2
assign	(resid	39	and	name	HG1*	)	(resid	40	and	name	HN	)	5.13	5.13	0.2
assign	(resid	39	and	name	HG1*	)	(resid	42	and	name	HE3	)	4.36	4.36	0.2
assign	(resid	39	and	name	HG2*	)	(resid	39	and	name	HD1*	)	3.41	3.41	0.2
assign	(resid	39	and	name	HG2*	)	(resid	39	and	name	HG11	)	3.66	3.66	0.2
assign	(resid	39	and	name	HG2*	)	(resid	39	and	name	HG12	)	3.66	3.66	0.2
assign	(resid	39	and	name	HG2*	)	(resid	40	and	name	HA	)	3.75	3.75	0.2
assign	(resid	39	and	name	HG2*	)	(resid	43	and	name	HD1*	)	2.64	2.64	0.2
assign	(resid	39	and	name	HG2*	)	(resid	43	and	name	HG12	)	5.49	5.49	0.2
assign	(resid	39	and	name	HG2*	)	(resid	43	and	name	HG11	)	5.49	5.49	0.2
assign	(resid	39	and	name	HG2*	)	(resid	43	and	name	HN	)	5.5	5.5	0.2
assign	(resid	39	and	name	HG2*	)	(resid	43	and	name	HG1*	)	4.8	4.8	0.2
assign	(resid	39	and	name	HN	)	(resid	39	and	name	HG2*	)	3.81	3.81	0.2
assign	(resid	39	and	name	HN	)	(resid	39	and	name	HB	)	3.29	3.29	0.2
assign	(resid	39	and	name	HN	)	(resid	39	and	name	HG1*	)	3.16	3.16	0.2
assign	(resid	39	and	name	HN	)	(resid	40	and	name	HG*	)	5.4	5.4	0.2
assign	(resid	39	and	name	HN	)	(resid	40	and	name	HN	)	3.95	3.95	0.2
assign	(resid	40	and	name	HA	)	(resid	40	and	name	HG*	)	4.05	4.05	0.2
assign	(resid	40	and	name	HA	)	(resid	41	and	name	HA	)	4.97	4.97	0.2
assign	(resid	40	and	name	HA	)	(resid	43	and	name	HB	)	4	4	0.2
assign	(resid	40	and	name	HA	)	(resid	43	and	name	HD1*	)	4.39	4.39	0.2
assign	(resid	40	and	name	HA	)	(resid	43	and	name	HN	)	4.79	4.79	0.2
assign	(resid	40	and	name	HA	)	(resid	44	and	name	HN	)	4.44	4.44	0.2
assign	(resid	40	and	name	HB1	)	(resid	41	and	name	HN	)	4.28	4.28	0.2
assign	(resid	40	and	name	HB2	)	(resid	41	and	name	HA	)	4.44	4.44	0.2
assign	(resid	40	and	name	HB2	)	(resid	44	and	name	HB1	)	3.63	3.63	0.2
assign	(resid	40	and	name	HB2	)	(resid	44	and	name	HG2	)	3.72	3.72	0.2
assign	(resid	40	and	name	HB2	)	(resid	44	and	name	HN	)	4.03	4.03	0.2
assign	(resid	40	and	name	HG*	)	(resid	41	and	name	HN	)	4.64	4.64	0.2
assign	(resid	40	and	name	HG*	)	(resid	44	and	name	HG1	)	5.22	5.22	0.2
assign	(resid	40	and	name	HN	)	(resid	40	and	name	HG*	)	4.03	4.03	0.2
assign	(resid	40	and	name	HN	)	(resid	40	and	name	HB2	)	3.77	3.77	0.2
assign	(resid	40	and	name	HN	)	(resid	40	and	name	HB1	)	3.39	3.39	0.2
assign	(resid	40	and	name	HN	)	(resid	40	and	name	HD*	)	5.34	5.34	0.2
assign	(resid	40	and	name	HN	)	(resid	41	and	name	HN	)	3.92	3.92	0.2
assign	(resid	40	and	name	HN	)	(resid	43	and	name	HB	)	5.5	5.5	0.2
assign	(resid	41	and	name	HA	)	(resid	42	and	name	HA	)	4.75	4.75	0.2
assign	(resid	41	and	name	HA	)	(resid	44	and	name	HB1	)	4.39	4.39	0.2
assign	(resid	41	and	name	HA	)	(resid	44	and	name	HN	)	4.67	4.67	0.2
assign	(resid	41	and	name	HA	)	(resid	45	and	name	HN	)	4.71	4.71	0.2
assign	(resid	41	and	name	HB*	)	(resid	42	and	name	HD1	)	4.14	4.14	0.2
assign	(resid	41	and	name	HB*	)	(resid	42	and	name	HN	)	3.64	3.64	0.2
assign	(resid	41	and	name	HB*	)	(resid	44	and	name	HG1	)	4.44	4.44	0.2
assign	(resid	41	and	name	HG*	)	(resid	42	and	name	HD1	)	5.04	5.04	0.2
assign	(resid	41	and	name	HN	)	(resid	41	and	name	HB*	)	3.13	3.13	0.2
assign	(resid	41	and	name	HN	)	(resid	41	and	name	HG*	)	4.39	4.39	0.2
assign	(resid	41	and	name	HN	)	(resid	42	and	name	HN	)	3.69	3.69	0.2
assign	(resid	41	and	name	HN	)	(resid	44	and	name	HG2	)	4.54	4.54	0.2
assign	(resid	42	and	name	HA	)	(resid	42	and	name	HD1	)	3.24	3.24	0.2
assign	(resid	42	and	name	HA	)	(resid	45	and	name	HN	)	4.69	4.69	0.2
assign	(resid	42	and	name	HB1	)	(resid	42	and	name	HD1	)	3.87	3.87	0.2
assign	(resid	42	and	name	HB2	)	(resid	42	and	name	HE3	)	3.58	3.58	0.2
assign	(resid	42	and	name	HB2	)	(resid	43	and	name	HN	)	4.08	4.08	0.2
assign	(resid	42	and	name	HB2	)	(resid	44	and	name	HN	)	5.48	5.48	0.2
assign	(resid	42	and	name	HN	)	(resid	42	and	name	HD1	)	4.08	4.08	0.2
assign	(resid	42	and	name	HN	)	(resid	42	and	name	HB2	)	3.33	3.33	0.2
assign	(resid	42	and	name	HN	)	(resid	43	and	name	HB	)	5.28	5.28	0.2
assign	(resid	42	and	name	HN	)	(resid	43	and	name	HN	)	3.81	3.81	0.2
assign	(resid	43	and	name	HA	)	(resid	43	and	name	HG12	)	4.08	4.08	0.2
assign	(resid	43	and	name	HA	)	(resid	43	and	name	HG11	)	4.08	4.08	0.2
assign	(resid	43	and	name	HA	)	(resid	43	and	name	HG2*	)	3.5	3.5	0.2
assign	(resid	43	and	name	HA	)	(resid	43	and	name	HD1*	)	4.56	4.56	0.2
assign	(resid	43	and	name	HA	)	(resid	43	and	name	HG1*	)	3.57	3.57	0.2
assign	(resid	43	and	name	HA	)	(resid	46	and	name	HB*	)	3.48	3.48	0.2
assign	(resid	43	and	name	HA	)	(resid	47	and	name	HN	)	4.78	4.78	0.2
assign	(resid	43	and	name	HB	)	(resid	43	and	name	HD1*	)	3.69	3.69	0.2
assign	(resid	43	and	name	HB	)	(resid	44	and	name	HN	)	3.92	3.92	0.2
assign	(resid	43	and	name	HB	)	(resid	45	and	name	HN	)	5.5	5.5	0.2
assign	(resid	43	and	name	HG2*	)	(resid	43	and	name	HD1*	)	3.21	3.21	0.2
assign	(resid	43	and	name	HG2*	)	(resid	43	and	name	HG1*	)	3.29	3.29	0.2
assign	(resid	43	and	name	HG2*	)	(resid	47	and	name	HG	)	4.8	4.8	0.2
assign	(resid	43	and	name	HG2*	)	(resid	47	and	name	HD*	)	3.74	3.74	0.2
assign	(resid	43	and	name	HN	)	(resid	43	and	name	HG2*	)	4.69	4.69	0.2
assign	(resid	43	and	name	HN	)	(resid	43	and	name	HD1*	)	4.33	4.33	0.2
assign	(resid	43	and	name	HN	)	(resid	43	and	name	HB	)	3.53	3.53	0.2
assign	(resid	43	and	name	HN	)	(resid	43	and	name	HG1*	)	4.12	4.12	0.2
assign	(resid	43	and	name	HN	)	(resid	44	and	name	HN	)	3.66	3.66	0.2
assign	(resid	44	and	name	HA	)	(resid	44	and	name	HG1	)	4.2	4.2	0.2
assign	(resid	44	and	name	HA	)	(resid	47	and	name	HB2	)	3.98	3.98	0.2
assign	(resid	44	and	name	HA	)	(resid	47	and	name	HB1	)	4.6	4.6	0.2
assign	(resid	44	and	name	HA	)	(resid	47	and	name	HN	)	4.51	4.51	0.2
assign	(resid	44	and	name	HB1	)	(resid	45	and	name	HN	)	4.02	4.02	0.2
assign	(resid	44	and	name	HB2	)	(resid	45	and	name	HN	)	4.4	4.4	0.2
assign	(resid	44	and	name	HG1	)	(resid	45	and	name	HN	)	4.08	4.08	0.2
assign	(resid	44	and	name	HG2	)	(resid	45	and	name	HN	)	4.68	4.68	0.2
assign	(resid	44	and	name	HN	)	(resid	44	and	name	HG1	)	3.52	3.52	0.2
assign	(resid	44	and	name	HN	)	(resid	44	and	name	HB1	)	3.59	3.59	0.2
assign	(resid	44	and	name	HN	)	(resid	44	and	name	HG2	)	4.1	4.1	0.2
assign	(resid	44	and	name	HN	)	(resid	45	and	name	HB*	)	4.52	4.52	0.2
assign	(resid	45	and	name	HA	)	(resid	48	and	name	HN	)	4.99	4.99	0.2
!assign	(resid	45	and	name	HA	)	(resid	49	and	name	HN	)	5.43	5.43	0.2
!assign	(resid	45	and	name	HA	)	(resid	50	and	name	HN	)	5.22	5.22	0.2
assign	(resid	45	and	name	HB*	)	(resid	46	and	name	HN	)	3.54	3.54	0.2
assign	(resid	45	and	name	HB*	)	(resid	47	and	name	HN	)	5.03	5.03	0.2
assign	(resid	45	and	name	HB1	)	(resid	46	and	name	HN	)	4.3	4.3	0.2
assign	(resid	45	and	name	HB2	)	(resid	46	and	name	HN	)	4.3	4.3	0.2
assign	(resid	45	and	name	HN	)	(resid	45	and	name	HB2	)	3.92	3.92	0.2
assign	(resid	45	and	name	HN	)	(resid	45	and	name	HB1	)	3.92	3.92	0.2
assign	(resid	45	and	name	HN	)	(resid	45	and	name	HB*	)	3.29	3.29	0.2
assign	(resid	45	and	name	HN	)	(resid	46	and	name	HN	)	3.93	3.93	0.2
!assign	(resid	45	and	name	HN	)	(resid	49	and	name	HB*	)	4.53	4.53	0.2
assign	(resid	46	and	name	HB*	)	(resid	47	and	name	HN	)	3.54	3.54	0.2
assign	(resid	46	and	name	HN	)	(resid	46	and	name	HB*	)	3.27	3.27	0.2
assign	(resid	46	and	name	HN	)	(resid	47	and	name	HB2	)	4.41	4.41	0.2
assign	(resid	46	and	name	HN	)	(resid	47	and	name	HB1	)	5.5	5.5	0.2
assign	(resid	47	and	name	HB1	)	(resid	48	and	name	HN	)	4.31	4.31	0.2
!assign	(resid	47	and	name	HB1	)	(resid	49	and	name	HN	)	5.5	5.5	0.2
assign	(resid	47	and	name	HB2	)	(resid	48	and	name	HN	)	4.48	4.48	0.2
!assign	(resid	47	and	name	HB2	)	(resid	49	and	name	HN	)	5.5	5.5	0.2
assign	(resid	47	and	name	HN	)	(resid	47	and	name	HB2	)	3.27	3.27	0.2
assign	(resid	47	and	name	HN	)	(resid	47	and	name	HD*	)	5.15	5.15	0.2
assign	(resid	48	and	name	HN	)	(resid	49	and	name	HN	)	3.47	3.47	0.2
!assign	(resid	49	and	name	HB*	)	(resid	50	and	name	HN	)	4.2	4.2	0.2
assign	(resid	49	and	name	HN	)	(resid	49	and	name	HD1	)	5.08	5.08	0.2
assign	(resid	49	and	name	HN	)	(resid	49	and	name	HB2	)	4.19	4.19	0.2
assign	(resid	49	and	name	HN	)	(resid	49	and	name	HB1	)	4.19	4.19	0.2
assign	(resid	49	and	name	HN	)	(resid	49	and	name	HB*	)	3.4	3.4	0.2
assign	(resid	49	and	name	HN	)	(resid	50	and	name	HN	)	4.42	4.42	0.2
assign	(resid	50	and	name	HB1	)	(resid	50	and	name	HG*	)	2.96	2.96	0.2
assign	(resid	50	and	name	HB2	)	(resid	50	and	name	HG*	)	2.96	2.96	0.2
# Restraints file 2: bakteriocyna_dihe.tab
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -62.1   10.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  -43.2   11.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -66.6   10.9 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -37.9   11.2 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -63.9   10.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -36.9   11.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -56.9   10.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -43.2   11.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -61.8   10.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -43.3   11.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -63.2   10.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -42.9   11.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -62.2   10.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -43.1   11.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -60.4   10.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -42.9   11.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -64.3   10.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -25.2   11.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -86.2   10.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -41.7   11.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -64.6   10.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -40.9   11.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -62.5   10.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -45.7   11.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -62.0   10.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -40.6   11.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -65.8   10.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -34.0   11.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -64.4   10.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -43.8   11.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -63.2    9.5 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -40.5   10.5 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -66.8   28.4 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -29.8   30.6 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -91.6   30.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -11.2   31.9 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0 -129.1   30.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0   79.5   31.9 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -58.7   10.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -38.8   11.0 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -60.9   10.9 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -41.9   11.2 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -64.3   10.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  -42.3   11.0 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -61.0   10.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  -39.2   11.0 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -64.3   10.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  -43.7   11.0 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -61.6   10.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  -45.3   11.0 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -71.0   10.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -37.8   11.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -64.5   10.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -42.2   11.0 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -63.0   30.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -35.7   31.9 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -83.2   50.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0   -7.9   51.9 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0   77.3   54.4 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0   18.7   53.0 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -82.5   50.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  154.8   51.9 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -82.7   37.9 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  158.6   40.2 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -60.8   30.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  -37.6   31.9 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -60.9   10.0 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  -40.9   11.0 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -66.1   10.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  -41.5   11.0 2
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0  -63.3   10.0 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  -43.3   11.0 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -58.8   10.0 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -45.5   11.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -63.0   10.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  -44.9   11.0 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -65.0   10.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  -43.4   11.0 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -59.9   10.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -46.2   11.0 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -61.5   10.0 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -43.4   11.0 2
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0  -65.4   10.0 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  -42.6   11.0 2
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -64.0   30.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  -44.4   31.9 2
!assign (resid   46 and name C    ) (resid   47 and name N    )
!       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -83.8   40.0 2
!assign (resid   47 and name N    ) (resid   47 and name CA   )
!       (resid   47 and name C    ) (resid   48 and name N    )    1.0   -8.3   41.9 2
# Restraints file 3: daa_hbonds_fix.tab
!!!! helix 1
assign ( don and resid   6 and name HN   and segid A) ( acc and resid 2 and name O    and segid A)  
assign ( don and resid   7 and name HN   and segid A) ( acc and resid 3 and name O    and segid A)  
assign ( don and resid   8 and name HN   and segid A) ( acc and resid 4 and name O    and segid A)  
assign ( don and resid   9 and name HN   and segid A) ( acc and resid 5 and name O    and segid A)  
assign ( don and resid  10 and name HN   and segid A) ( acc and resid 6 and name O    and segid A)  
assign ( don and resid  11 and name HN   and segid A) ( acc and resid 7 and name O    and segid A)  
assign ( don and resid  12 and name HN   and segid A) ( acc and resid 8 and name O    and segid A)  
!
!!!! helix 2
!assign ( don and resid   16 and name HN   and segid A) ( acc and resid 12 and name O    and segid A)  
assign ( don and resid   17 and name HN   and segid A) ( acc and resid 13 and name O    and segid A)  
assign ( don and resid   18 and name HN   and segid A) ( acc and resid 14 and name O    and segid A)  
assign ( don and resid   19 and name HN   and segid A) ( acc and resid 15 and name O    and segid A)  
assign ( don and resid   20 and name HN   and segid A) ( acc and resid 16 and name O    and segid A) 
assign ( don and resid   21 and name HN   and segid A) ( acc and resid 17 and name O    and segid A)   
assign ( don and resid   22 and name HN   and segid A) ( acc and resid 18 and name O    and segid A)   
!
!!!! helix 3
!assign ( don and resid   25 and name HN   and segid A) ( acc and resid 21 and name O    and segid A)  
!assign ( don and resid   26 and name HN   and segid A) ( acc and resid 22 and name O    and segid A)  
assign ( don and resid   27 and name HN   and segid A) ( acc and resid 23 and name O    and segid A)  
assign ( don and resid   28 and name HN   and segid A) ( acc and resid 24 and name O    and segid A)  
assign ( don and resid   29 and name HN   and segid A) ( acc and resid 25 and name O    and segid A)  
assign ( don and resid   30 and name HN   and segid A) ( acc and resid 26 and name O    and segid A)  
assign ( don and resid   31 and name HN   and segid A) ( acc and resid 27 and name O    and segid A)
assign ( don and resid   32 and name HN   and segid A) ( acc and resid 28 and name O    and segid A)    
!
!!!! helix 4
!assign ( don and resid   38 and name HN   and segid A) ( acc and resid 34 and name O    and segid A)  
assign ( don and resid   39 and name HN   and segid A) ( acc and resid 35 and name O    and segid A)  
assign ( don and resid   40 and name HN   and segid A) ( acc and resid 36 and name O    and segid A)  
assign ( don and resid   41 and name HN   and segid A) ( acc and resid 37 and name O    and segid A)  
assign ( don and resid   42 and name HN   and segid A) ( acc and resid 38 and name O    and segid A)  
assign ( don and resid   43 and name HN   and segid A) ( acc and resid 39 and name O    and segid A)  
assign ( don and resid   44 and name HN   and segid A) ( acc and resid 40 and name O    and segid A) 
assign ( don and resid   45 and name HN   and segid A) ( acc and resid 41 and name O    and segid A)  
assign ( don and resid   46 and name HN   and segid A) ( acc and resid 42 and name O    and segid A)  
assign ( don and resid   47 and name HN   and segid A) ( acc and resid 43 and name O    and segid A)  
assign ( don and resid   48 and name HN   and segid A) ( acc and resid 44 and name O    and segid A) 
assign ( don and resid   49 and name HN   and segid A) ( acc and resid 45 and name O    and segid A) 
!assign ( don and resid   50 and name HN   and segid A) ( acc and resid 46 and name O    and segid A) 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    FME   1           H        FME   1 -12.151  -4.828   1.320
    2    HCN  FME   1           HF       FME   1 -12.432  -3.926   3.464
    3    HA   FME   1           HA       FME   1  -9.663  -3.787   0.871
    4    HB2  FME   1          1HB       FME   1 -11.805  -3.524  -1.226
    5    HB3  FME   1          2HB       FME   1 -11.163  -5.099  -0.748
    6    HG2  FME   1          1HG       FME   1  -8.863  -4.250  -1.231
    7    HG3  FME   1          2HG       FME   1  -9.571  -2.740  -1.809
    8    HE1  FME   1          1HE       FME   1  -8.041  -3.226  -3.600
    9    HE2  FME   1          2HE       FME   1  -8.585  -3.928  -5.122
   10    HE3  FME   1          3HE       FME   1  -7.739  -4.935  -3.954
   11    H    ALA   2           H        ALA   2 -12.745  -2.083   0.716
   12    HA   ALA   2           HA       ALA   2 -11.770   0.381  -0.241
   13    HB1  ALA   2          1HB       ALA   2 -14.139  -0.068  -0.224
   14    HB2  ALA   2          2HB       ALA   2 -13.845   1.312   0.825
   15    HB3  ALA   2          3HB       ALA   2 -14.137  -0.283   1.524
   16    H    GLY   3           H        GLY   3 -12.109  -0.889   3.075
   17    HA2  GLY   3          2HA       GLY   3 -11.361   1.464   4.438
   18    HA3  GLY   3          1HA       GLY   3 -11.201  -0.172   5.067
   19    H    LEU   4           H        LEU   4  -9.484  -1.254   3.187
   20    HA   LEU   4           HA       LEU   4  -6.950  -0.530   4.142
   21    HB2  LEU   4          2HB       LEU   4  -7.606  -2.729   3.187
   22    HB3  LEU   4          1HB       LEU   4  -7.762  -1.991   1.607
   23    HG   LEU   4           HG       LEU   4  -5.585  -3.334   2.304
   24   HD11  LEU   4          1HD1      LEU   4  -4.267  -1.667   0.805
   25   HD12  LEU   4          2HD1      LEU   4  -5.817  -0.854   0.641
   26   HD13  LEU   4          3HD1      LEU   4  -5.650  -2.526   0.137
   27   HD21  LEU   4          1HD2      LEU   4  -4.824  -0.544   3.183
   28   HD22  LEU   4          2HD2      LEU   4  -3.790  -1.964   3.139
   29   HD23  LEU   4          3HD2      LEU   4  -5.126  -1.879   4.286
   30    H    LEU   5           H        LEU   5  -8.619   0.258   1.097
   31    HA   LEU   5           HA       LEU   5  -6.530   1.777  -0.059
   32    HB2  LEU   5          2HB       LEU   5  -9.524   1.877  -0.456
   33    HB3  LEU   5          1HB       LEU   5  -8.377   2.779  -1.438
   34    HG   LEU   5           HG       LEU   5  -8.261  -0.231  -1.076
   35   HD11  LEU   5          1HD1      LEU   5 -10.358   0.340  -2.144
   36   HD12  LEU   5          2HD1      LEU   5  -9.259  -0.277  -3.377
   37   HD13  LEU   5          3HD1      LEU   5  -9.547   1.457  -3.239
   38   HD21  LEU   5          1HD2      LEU   5  -6.156   0.392  -1.870
   39   HD22  LEU   5          2HD2      LEU   5  -6.776   1.802  -2.731
   40   HD23  LEU   5          3HD2      LEU   5  -7.024   0.186  -3.391
   41    H    ARG   6           H        ARG   6  -9.305   2.737   1.965
   42    HA   ARG   6           HA       ARG   6  -8.891   5.511   1.866
   43    HB2  ARG   6          2HB       ARG   6 -10.932   4.443   2.734
   44    HB3  ARG   6          1HB       ARG   6 -10.029   3.865   4.133
   45    HG2  ARG   6          2HG       ARG   6  -9.807   6.792   3.602
   46    HG3  ARG   6          1HG       ARG   6 -11.407   6.234   4.071
   47    HD2  ARG   6          2HD       ARG   6  -8.881   5.605   5.618
   48    HD3  ARG   6          1HD       ARG   6  -9.974   6.934   5.997
   49    HE   ARG   6           HE       ARG   6 -11.508   4.591   5.875
   50   HH11  ARG   6          1HH1      ARG   6 -12.088   3.556   7.812
   51   HH12  ARG   6          2HH1      ARG   6 -11.161   3.837   9.248
   52   HH21  ARG   6          1HH2      ARG   6  -8.927   5.992   7.690
   53   HH22  ARG   6          2HH2      ARG   6  -9.355   5.211   9.175
   54    H    PHE   7           H        PHE   7  -7.625   3.060   4.099
   55    HA   PHE   7           HA       PHE   7  -6.277   4.802   5.833
   56    HB2  PHE   7          2HB       PHE   7  -6.704   2.449   6.356
   57    HB3  PHE   7          1HB       PHE   7  -5.637   1.945   5.047
   58    HD1  PHE   7          1HD       PHE   7  -3.269   1.819   5.377
   59    HD2  PHE   7          2HD       PHE   7  -5.752   3.791   8.279
   60    HE1  PHE   7          1HE       PHE   7  -1.343   1.955   6.940
   61    HE2  PHE   7          2HE       PHE   7  -3.831   3.923   9.834
   62    HZ   PHE   7           HZ       PHE   7  -1.635   2.996   9.172
   63    H    LEU   8           H        LEU   8  -5.179   3.115   2.889
   64    HA   LEU   8           HA       LEU   8  -2.527   4.044   3.059
   65    HB2  LEU   8          2HB       LEU   8  -4.209   3.038   0.780
   66    HB3  LEU   8          1HB       LEU   8  -2.582   3.659   0.492
   67    HG   LEU   8           HG       LEU   8  -3.019   1.612   2.653
   68   HD11  LEU   8          1HD1      LEU   8  -2.715   1.063  -0.314
   69   HD12  LEU   8          2HD1      LEU   8  -4.101   0.652   0.686
   70   HD13  LEU   8          3HD1      LEU   8  -2.556  -0.154   0.949
   71   HD21  LEU   8          1HD2      LEU   8  -0.814   2.934   2.086
   72   HD22  LEU   8          2HD2      LEU   8  -0.707   1.808   0.736
   73   HD23  LEU   8          3HD2      LEU   8  -0.721   1.203   2.388
   74    H    LEU   9           H        LEU   9  -5.398   5.437   1.525
   75    HA   LEU   9           HA       LEU   9  -4.116   7.612   0.250
   76    HB2  LEU   9          2HB       LEU   9  -6.447   6.878  -0.194
   77    HB3  LEU   9          1HB       LEU   9  -6.921   7.496   1.381
   78    HG   LEU   9           HG       LEU   9  -6.202   9.770   0.716
   79   HD11  LEU   9          1HD1      LEU   9  -5.873   9.979  -1.897
   80   HD12  LEU   9          2HD1      LEU   9  -5.361   8.297  -1.771
   81   HD13  LEU   9          3HD1      LEU   9  -4.499   9.553  -0.878
   82   HD21  LEU   9          1HD2      LEU   9  -8.532   9.174   0.325
   83   HD22  LEU   9          2HD2      LEU   9  -8.114   8.378  -1.191
   84   HD23  LEU   9          3HD2      LEU   9  -7.967  10.127  -1.046
   85    H    SER  10           H        SER  10  -5.629   7.314   3.463
   86    HA   SER  10           HA       SER  10  -5.318   9.995   4.236
   87    HB2  SER  10          2HB       SER  10  -5.540   9.144   6.539
   88    HB3  SER  10          1HB       SER  10  -6.734   8.421   5.465
   89    HG   SER  10           HG       SER  10  -5.918   6.621   6.206
   90    H    LYS  11           H        LYS  11  -3.135   7.212   4.463
   91    HA   LYS  11           HA       LYS  11  -1.172   8.650   5.981
   92    HB2  LYS  11          2HB       LYS  11  -0.961   6.117   4.342
   93    HB3  LYS  11          1HB       LYS  11   0.338   6.752   5.348
   94    HG2  LYS  11          2HG       LYS  11  -2.431   6.086   6.411
   95    HG3  LYS  11          1HG       LYS  11  -1.069   4.966   6.467
   96    HD2  LYS  11          2HD       LYS  11   0.181   6.962   7.634
   97    HD3  LYS  11          1HD       LYS  11  -1.446   7.558   7.953
   98    HE2  LYS  11          2HE       LYS  11  -2.027   5.404   9.025
   99    HE3  LYS  11          1HE       LYS  11  -0.386   4.836   8.723
  100    HZ1  LYS  11          1HZ       LYS  11  -1.294   6.930  10.585
  101    HZ2  LYS  11          2HZ       LYS  11   0.302   6.939  10.000
  102    HZ3  LYS  11          3HZ       LYS  11  -0.276   5.605  10.878
  103    H    GLY  12           H        GLY  12  -1.509   7.921   2.520
  104    HA2  GLY  12          2HA       GLY  12  -0.082  10.300   1.784
  105    HA3  GLY  12          1HA       GLY  12   0.867   8.847   1.499
  106    H    ARG  13           H        ARG  13  -0.016  10.613  -0.529
  107    HA   ARG  13           HA       ARG  13  -2.290   9.377  -1.847
  108    HB2  ARG  13          2HB       ARG  13  -0.352  11.545  -2.668
  109    HB3  ARG  13          1HB       ARG  13  -1.677  10.974  -3.683
  110    HG2  ARG  13          2HG       ARG  13  -3.301  11.572  -1.931
  111    HG3  ARG  13          1HG       ARG  13  -1.986  12.124  -0.894
  112    HD2  ARG  13          2HD       ARG  13  -1.369  13.822  -2.558
  113    HD3  ARG  13          1HD       ARG  13  -2.665  13.268  -3.612
  114    HE   ARG  13           HE       ARG  13  -2.964  14.818  -1.151
  115   HH11  ARG  13          1HH1      ARG  13  -5.056  15.652  -0.831
  116   HH12  ARG  13          2HH1      ARG  13  -6.356  15.120  -1.844
  117   HH21  ARG  13          1HH2      ARG  13  -4.398  12.958  -3.697
  118   HH22  ARG  13          2HH2      ARG  13  -5.987  13.600  -3.452
  119    H    ALA  14           H        ALA  14   1.211   9.376  -1.992
  120    HA   ALA  14           HA       ALA  14   1.527   8.083  -4.475
  121    HB1  ALA  14          1HB       ALA  14   3.737   7.300  -3.343
  122    HB2  ALA  14          2HB       ALA  14   3.222   8.347  -2.013
  123    HB3  ALA  14          3HB       ALA  14   3.484   9.027  -3.620
  124    H    LEU  15           H        LEU  15   1.127   6.849  -1.194
  125    HA   LEU  15           HA       LEU  15   1.540   4.113  -1.719
  126    HB2  LEU  15          2HB       LEU  15  -0.364   5.323   0.284
  127    HB3  LEU  15          1HB       LEU  15   0.427   3.755   0.373
  128    HG   LEU  15           HG       LEU  15   1.923   6.385   0.306
  129   HD11  LEU  15          1HD1      LEU  15   0.713   6.425   2.341
  130   HD12  LEU  15          2HD1      LEU  15   2.301   5.808   2.777
  131   HD13  LEU  15          3HD1      LEU  15   0.939   4.701   2.606
  132   HD21  LEU  15          1HD2      LEU  15   2.666   3.480   0.658
  133   HD22  LEU  15          2HD2      LEU  15   3.661   4.744   1.380
  134   HD23  LEU  15          3HD2      LEU  15   3.420   4.708  -0.363
  135    H    TYR  16           H        TYR  16  -1.352   6.161  -1.809
  136    HA   TYR  16           HA       TYR  16  -3.233   4.127  -2.352
  137    HB2  TYR  16          2HB       TYR  16  -3.989   6.304  -1.626
  138    HB3  TYR  16          1HB       TYR  16  -3.282   7.075  -3.045
  139    HD1  TYR  16          1HD       TYR  16  -4.451   7.123  -5.129
  140    HD2  TYR  16          2HD       TYR  16  -5.842   4.636  -1.920
  141    HE1  TYR  16          1HE       TYR  16  -6.554   6.700  -6.373
  142    HE2  TYR  16          2HE       TYR  16  -7.946   4.216  -3.163
  143    HH   TYR  16           HH       TYR  16  -8.856   6.052  -5.890
  144    H    ASN  17           H        ASN  17  -1.379   6.258  -4.488
  145    HA   ASN  17           HA       ASN  17  -2.485   5.379  -6.919
  146    HB2  ASN  17          2HB       ASN  17  -1.081   7.391  -6.723
  147    HB3  ASN  17          1HB       ASN  17   0.318   6.378  -6.369
  148   HD21  ASN  17          1HD2      ASN  17   1.498   6.865  -8.302
  149   HD22  ASN  17          2HD2      ASN  17   0.950   6.411  -9.842
  150    H    TRP  18           H        TRP  18   0.336   4.205  -5.078
  151    HA   TRP  18           HA       TRP  18   1.231   2.281  -6.915
  152    HB2  TRP  18          2HB       TRP  18   2.615   2.910  -5.045
  153    HB3  TRP  18          1HB       TRP  18   1.385   2.387  -3.901
  154    HD1  TRP  18           HD       TRP  18   1.249  -0.099  -3.292
  155    HE1  TRP  18          1HE       TRP  18   2.650  -2.176  -3.893
  156    HE3  TRP  18          3HE       TRP  18   4.046   1.820  -7.098
  157    HZ2  TRP  18          2HZ       TRP  18   4.691  -2.922  -5.758
  158    HZ3  TRP  18          3HZ       TRP  18   5.706   0.408  -8.276
  159    HH2  TRP  18           HH       TRP  18   6.033  -1.958  -7.611
  160    H    ALA  19           H        ALA  19  -1.109   2.019  -4.237
  161    HA   ALA  19           HA       ALA  19  -1.547  -0.757  -4.464
  162    HB1  ALA  19          1HB       ALA  19  -3.789  -0.170  -3.359
  163    HB2  ALA  19          2HB       ALA  19  -3.214   1.496  -3.357
  164    HB3  ALA  19          3HB       ALA  19  -2.323   0.256  -2.478
  165    H    LYS  20           H        LYS  20  -3.147   2.019  -5.958
  166    HA   LYS  20           HA       LYS  20  -5.208   0.577  -7.265
  167    HB2  LYS  20          2HB       LYS  20  -5.189   3.050  -6.945
  168    HB3  LYS  20          1HB       LYS  20  -3.893   3.162  -8.136
  169    HG2  LYS  20          2HG       LYS  20  -5.329   2.161  -9.842
  170    HG3  LYS  20          1HG       LYS  20  -6.624   1.960  -8.661
  171    HD2  LYS  20          2HD       LYS  20  -6.714   4.412  -8.348
  172    HD3  LYS  20          1HD       LYS  20  -5.433   4.605  -9.549
  173    HE2  LYS  20          2HE       LYS  20  -6.855   3.535 -11.251
  174    HE3  LYS  20          1HE       LYS  20  -8.136   3.326 -10.060
  175    HZ1  LYS  20          1HZ       LYS  20  -8.815   5.384 -10.430
  176    HZ2  LYS  20          2HZ       LYS  20  -7.660   5.534 -11.666
  177    HZ3  LYS  20          3HZ       LYS  20  -7.280   6.013 -10.081
  178    H    SER  21           H        SER  21  -1.975   1.588  -8.316
  179    HA   SER  21           HA       SER  21  -2.140   0.680 -10.967
  180    HB2  SER  21          2HB       SER  21  -0.375   2.190 -10.167
  181    HB3  SER  21          1HB       SER  21   0.294   0.897  -9.179
  182    HG   SER  21           HG       SER  21  -0.003  -0.054 -11.622
  183    H    HIS  22           H        HIS  22  -1.046  -1.005  -8.006
  184    HA   HIS  22           HA       HIS  22  -1.124  -3.546  -9.532
  185    HB2  HIS  22          2HB       HIS  22   0.739  -2.894  -7.246
  186    HB3  HIS  22          1HB       HIS  22   0.746  -4.345  -8.249
  187    HD1  HIS  22          1HD       HIS  22   1.712  -0.720  -8.274
  188    HD2  HIS  22          2HD       HIS  22   1.839  -3.988 -10.859
  189    HE1  HIS  22          1HE       HIS  22   3.214  -0.052 -10.202
  190    HE2  HIS  22          2HE       HIS  22   3.303  -2.035 -11.785
  191    H    VAL  23           H        VAL  23  -3.260  -3.903  -8.853
  192    HA   VAL  23           HA       VAL  23  -4.061  -3.856  -6.136
  193    HB   VAL  23           HB       VAL  23  -5.989  -5.229  -6.919
  194   HG11  VAL  23          1HG1      VAL  23  -6.236  -2.852  -7.125
  195   HG12  VAL  23          2HG1      VAL  23  -6.788  -3.536  -8.654
  196   HG13  VAL  23          3HG1      VAL  23  -5.189  -2.798  -8.546
  197   HG21  VAL  23          1HG2      VAL  23  -4.330  -5.285  -9.452
  198   HG22  VAL  23          2HG2      VAL  23  -6.071  -5.572  -9.464
  199   HG23  VAL  23          3HG2      VAL  23  -5.006  -6.651  -8.563
  200    H    GLY  24           H        GLY  24  -2.353  -6.077  -8.125
  201    HA2  GLY  24          2HA       GLY  24  -2.775  -8.474  -6.718
  202    HA3  GLY  24          1HA       GLY  24  -1.353  -8.091  -7.694
  203    H    LYS  25           H        LYS  25  -0.397  -5.870  -6.290
  204    HA   LYS  25           HA       LYS  25   1.126  -7.107  -4.276
  205    HB2  LYS  25          2HB       LYS  25   0.565  -4.152  -4.690
  206    HB3  LYS  25          1HB       LYS  25   1.850  -4.815  -3.684
  207    HG2  LYS  25          2HG       LYS  25   1.647  -5.605  -6.575
  208    HG3  LYS  25          1HG       LYS  25   2.414  -4.082  -6.121
  209    HD2  LYS  25          2HD       LYS  25   3.964  -5.305  -4.642
  210    HD3  LYS  25          1HD       LYS  25   3.213  -6.830  -5.109
  211    HE2  LYS  25          2HE       LYS  25   3.826  -6.436  -7.453
  212    HE3  LYS  25          1HE       LYS  25   4.572  -4.905  -7.007
  213    HZ1  LYS  25          1HZ       LYS  25   6.406  -5.956  -6.380
  214    HZ2  LYS  25          2HZ       LYS  25   5.760  -7.393  -7.015
  215    HZ3  LYS  25          3HZ       LYS  25   5.541  -7.012  -5.373
  216    H    VAL  26           H        VAL  26  -1.779  -5.122  -4.139
  217    HA   VAL  26           HA       VAL  26  -1.976  -4.820  -1.350
  218    HB   VAL  26           HB       VAL  26  -4.058  -4.889  -3.529
  219   HG11  VAL  26          1HG1      VAL  26  -5.513  -3.741  -1.789
  220   HG12  VAL  26          2HG1      VAL  26  -4.351  -4.281  -0.576
  221   HG13  VAL  26          3HG1      VAL  26  -5.244  -5.466  -1.530
  222   HG21  VAL  26          1HG2      VAL  26  -2.386  -3.047  -3.574
  223   HG22  VAL  26          2HG2      VAL  26  -2.854  -2.605  -1.932
  224   HG23  VAL  26          3HG2      VAL  26  -4.015  -2.456  -3.251
  225    H    TRP  27           H        TRP  27  -3.289  -7.214  -3.558
  226    HA   TRP  27           HA       TRP  27  -4.651  -8.747  -1.607
  227    HB2  TRP  27          2HB       TRP  27  -3.565  -9.445  -4.332
  228    HB3  TRP  27          1HB       TRP  27  -4.430 -10.606  -3.329
  229    HD1  TRP  27           HD       TRP  27  -5.043  -8.141  -5.916
  230    HE1  TRP  27          1HE       TRP  27  -7.532  -7.478  -6.008
  231    HE3  TRP  27          3HE       TRP  27  -6.622 -10.014  -1.424
  232    HZ2  TRP  27          2HZ       TRP  27  -9.888  -7.712  -4.380
  233    HZ3  TRP  27          3HZ       TRP  27  -8.987  -9.782  -0.723
  234    HH2  TRP  27           HH       TRP  27 -10.622  -8.636  -2.193
  235    H    GLU  28           H        GLU  28  -1.391  -9.042  -2.955
  236    HA   GLU  28           HA       GLU  28  -0.585 -11.386  -1.680
  237    HB2  GLU  28          2HB       GLU  28   0.707 -10.267  -3.474
  238    HB3  GLU  28          1HB       GLU  28   1.133  -8.983  -2.343
  239    HG2  GLU  28          2HG       GLU  28   2.230 -10.622  -0.872
  240    HG3  GLU  28          1HG       GLU  28   1.787 -11.921  -1.973
  241    H    TRP  29           H        TRP  29  -0.296  -7.976  -0.525
  242    HA   TRP  29           HA       TRP  29   1.033  -8.728   1.875
  243    HB2  TRP  29          2HB       TRP  29  -0.716  -6.293   1.737
  244    HB3  TRP  29          1HB       TRP  29   0.735  -6.568   2.667
  245    HD1  TRP  29           HD       TRP  29  -0.256  -4.489   0.076
  246    HE1  TRP  29          1HE       TRP  29   1.600  -3.914  -1.606
  247    HE3  TRP  29          3HE       TRP  29   3.147  -8.109   1.247
  248    HZ2  TRP  29          2HZ       TRP  29   4.180  -4.846  -2.360
  249    HZ3  TRP  29          3HZ       TRP  29   5.297  -8.217   0.035
  250    HH2  TRP  29           HH       TRP  29   5.824  -6.605  -1.766
  251    H    LEU  30           H        LEU  30  -2.407  -8.302   1.066
  252    HA   LEU  30           HA       LEU  30  -3.346  -8.530   3.727
  253    HB2  LEU  30          2HB       LEU  30  -4.670  -9.105   1.078
  254    HB3  LEU  30          1HB       LEU  30  -5.515  -9.231   2.623
  255    HG   LEU  30           HG       LEU  30  -4.044  -6.741   1.704
  256   HD11  LEU  30          1HD1      LEU  30  -5.831  -6.856   0.196
  257   HD12  LEU  30          2HD1      LEU  30  -6.527  -5.924   1.524
  258   HD13  LEU  30          3HD1      LEU  30  -6.894  -7.644   1.363
  259   HD21  LEU  30          1HD2      LEU  30  -4.229  -6.438   3.987
  260   HD22  LEU  30          2HD2      LEU  30  -5.603  -7.529   4.138
  261   HD23  LEU  30          3HD2      LEU  30  -5.841  -5.889   3.539
  262    H    LYS  31           H        LYS  31  -2.734 -10.967   1.226
  263    HA   LYS  31           HA       LYS  31  -3.719 -13.190   2.643
  264    HB2  LYS  31          2HB       LYS  31  -3.111 -13.199   0.217
  265    HB3  LYS  31          1HB       LYS  31  -1.411 -13.131   0.680
  266    HG2  LYS  31          2HG       LYS  31  -1.626 -15.248   1.891
  267    HG3  LYS  31          1HG       LYS  31  -3.349 -15.311   1.511
  268    HD2  LYS  31          2HD       LYS  31  -2.797 -15.350  -0.907
  269    HD3  LYS  31          1HD       LYS  31  -1.079 -15.348  -0.497
  270    HE2  LYS  31          2HE       LYS  31  -3.028 -17.452   0.472
  271    HE3  LYS  31          1HE       LYS  31  -2.016 -17.644  -0.960
  272    HZ1  LYS  31          1HZ       LYS  31  -1.149 -17.313   1.854
  273    HZ2  LYS  31          2HZ       LYS  31  -0.085 -17.128   0.541
  274    HZ3  LYS  31          3HZ       LYS  31  -0.848 -18.622   0.818
  275    H    SER  32           H        SER  32  -0.506 -11.687   2.515
  276    HA   SER  32           HA       SER  32   0.859 -13.533   4.147
  277    HB2  SER  32          2HB       SER  32   1.337 -10.580   3.709
  278    HB3  SER  32          1HB       SER  32   2.475 -11.672   4.496
  279    HG   SER  32           HG       SER  32   1.903 -12.915   2.345
  280    H    GLY  33           H        GLY  33  -1.059 -10.680   4.906
  281    HA2  GLY  33          2HA       GLY  33  -2.308 -10.430   6.900
  282    HA3  GLY  33          1HA       GLY  33  -1.240 -11.579   7.692
  283    H    ALA  34           H        ALA  34   0.587  -9.430   5.896
  284    HA   ALA  34           HA       ALA  34   1.967  -8.322   8.020
  285    HB1  ALA  34          1HB       ALA  34   1.486  -7.323   5.219
  286    HB2  ALA  34          2HB       ALA  34   2.922  -8.119   5.863
  287    HB3  ALA  34          3HB       ALA  34   2.535  -6.467   6.348
  288    H    THR  35           H        THR  35   2.059  -5.689   8.061
  289    HA   THR  35           HA       THR  35  -0.626  -4.869   8.995
  290    HB   THR  35           HB       THR  35   0.522  -3.320  10.452
  291    HG1  THR  35          1HG       THR  35   2.592  -2.865  10.205
  292   HG21  THR  35          1HG2      THR  35   1.901  -6.026  10.491
  293   HG22  THR  35          2HG2      THR  35   0.315  -5.687  11.186
  294   HG23  THR  35          3HG2      THR  35   1.753  -4.915  11.853
  295    H    TYR  36           H        TYR  36  -1.398  -2.803   8.478
  296    HA   TYR  36           HA       TYR  36  -0.999  -1.945   5.849
  297    HB2  TYR  36          2HB       TYR  36  -2.033  -0.254   8.133
  298    HB3  TYR  36          1HB       TYR  36  -2.401  -0.077   6.416
  299    HD1  TYR  36          1HD       TYR  36  -3.171  -2.500   5.315
  300    HD2  TYR  36          2HD       TYR  36  -3.730  -1.248   9.391
  301    HE1  TYR  36          1HE       TYR  36  -5.038  -4.119   5.556
  302    HE2  TYR  36          2HE       TYR  36  -5.595  -2.868   9.627
  303    HH   TYR  36           HH       TYR  36  -6.221  -5.131   8.425
  304    H    GLU  37           H        GLU  37   0.362  -0.724   8.888
  305    HA   GLU  37           HA       GLU  37   1.707   1.513   7.836
  306    HB2  GLU  37          2HB       GLU  37   1.300   1.116  10.243
  307    HB3  GLU  37          1HB       GLU  37   2.459  -0.214  10.194
  308    HG2  GLU  37          2HG       GLU  37   4.248   1.320   9.548
  309    HG3  GLU  37          1HG       GLU  37   3.105   2.664   9.490
  310    H    GLN  38           H        GLN  38   2.893  -1.790   8.523
  311    HA   GLN  38           HA       GLN  38   5.518  -1.398   7.625
  312    HB2  GLN  38          2HB       GLN  38   4.871  -3.342   8.890
  313    HB3  GLN  38          1HB       GLN  38   3.791  -3.879   7.612
  314    HG2  GLN  38          2HG       GLN  38   5.673  -4.211   6.104
  315    HG3  GLN  38          1HG       GLN  38   6.786  -3.549   7.300
  316   HE21  GLN  38          1HE2      GLN  38   4.998  -6.414   6.372
  317   HE22  GLN  38          2HE2      GLN  38   5.565  -7.405   7.629
  318    H    ILE  39           H        ILE  39   2.606  -2.377   5.853
  319    HA   ILE  39           HA       ILE  39   3.895  -2.953   3.422
  320    HB   ILE  39           HB       ILE  39   1.029  -2.133   3.973
  321   HG12  ILE  39          2HG1      ILE  39   2.099  -4.864   3.269
  322   HG13  ILE  39          1HG1      ILE  39   2.112  -4.310   4.937
  323   HG21  ILE  39          1HG2      ILE  39   0.563  -3.117   1.747
  324   HG22  ILE  39          2HG2      ILE  39   2.293  -3.383   1.493
  325   HG23  ILE  39          3HG2      ILE  39   1.649  -1.737   1.592
  326   HD11  ILE  39          1HD1      ILE  39  -0.341  -3.826   4.748
  327   HD12  ILE  39          2HD1      ILE  39   0.034  -5.532   4.558
  328   HD13  ILE  39          3HD1      ILE  39  -0.324  -4.542   3.145
  329    H    LYS  40           H        LYS  40   2.382   0.152   4.575
  330    HA   LYS  40           HA       LYS  40   3.019   1.423   2.081
  331    HB2  LYS  40          2HB       LYS  40   2.853   3.607   3.180
  332    HB3  LYS  40          1HB       LYS  40   1.392   2.601   3.400
  333    HG2  LYS  40          2HG       LYS  40   2.065   2.032   5.652
  334    HG3  LYS  40          1HG       LYS  40   3.630   2.814   5.435
  335    HD2  LYS  40          2HD       LYS  40   2.477   4.998   5.113
  336    HD3  LYS  40          1HD       LYS  40   0.928   4.204   5.376
  337    HE2  LYS  40          2HE       LYS  40   1.996   5.403   7.398
  338    HE3  LYS  40          1HE       LYS  40   1.413   3.762   7.654
  339    HZ1  LYS  40          1HZ       LYS  40   3.674   4.182   8.539
  340    HZ2  LYS  40          2HZ       LYS  40   4.215   4.442   6.950
  341    HZ3  LYS  40          3HZ       LYS  40   3.617   2.921   7.407
  342    H    GLU  41           H        GLU  41   4.755   0.935   5.106
  343    HA   GLU  41           HA       GLU  41   6.837   2.724   4.702
  344    HB2  GLU  41          2HB       GLU  41   6.541   1.434   6.775
  345    HB3  GLU  41          1HB       GLU  41   7.027  -0.027   5.918
  346    HG2  GLU  41          2HG       GLU  41   9.205   0.961   5.422
  347    HG3  GLU  41          1HG       GLU  41   8.721   2.464   6.208
  348    H    TRP  42           H        TRP  42   6.555  -0.682   3.636
  349    HA   TRP  42           HA       TRP  42   9.018  -0.808   2.271
  350    HB2  TRP  42          2HB       TRP  42   6.385  -2.169   1.657
  351    HB3  TRP  42          1HB       TRP  42   7.906  -2.590   0.893
  352    HD1  TRP  42           HD       TRP  42   9.602  -2.376   3.774
  353    HE1  TRP  42          1HE       TRP  42   9.354  -4.350   5.401
  354    HE3  TRP  42          3HE       TRP  42   5.276  -4.449   2.000
  355    HZ2  TRP  42          2HZ       TRP  42   7.542  -6.531   5.901
  356    HZ3  TRP  42          3HZ       TRP  42   4.315  -6.466   3.067
  357    HH2  TRP  42           HH       TRP  42   5.440  -7.511   5.011
  358    H    ILE  43           H        ILE  43   5.801   0.152   1.201
  359    HA   ILE  43           HA       ILE  43   6.440   0.497  -1.524
  360    HB   ILE  43           HB       ILE  43   4.314   1.769   0.194
  361   HG12  ILE  43          2HG1      ILE  43   4.156  -0.433  -1.881
  362   HG13  ILE  43          1HG1      ILE  43   4.357  -0.730  -0.152
  363   HG21  ILE  43          1HG2      ILE  43   4.626   3.226  -1.722
  364   HG22  ILE  43          2HG2      ILE  43   3.189   2.249  -2.009
  365   HG23  ILE  43          3HG2      ILE  43   4.707   1.839  -2.816
  366   HD11  ILE  43          1HD1      ILE  43   2.238   0.164   0.366
  367   HD12  ILE  43          2HD1      ILE  43   1.947  -0.761  -1.094
  368   HD13  ILE  43          3HD1      ILE  43   2.108   0.995  -1.179
  369    H    GLU  44           H        GLU  44   6.405   2.883   1.094
  370    HA   GLU  44           HA       GLU  44   7.100   4.971  -0.665
  371    HB2  GLU  44          2HB       GLU  44   7.285   6.385   1.257
  372    HB3  GLU  44          1HB       GLU  44   5.861   5.337   1.451
  373    HG2  GLU  44          2HG       GLU  44   6.666   4.552   3.401
  374    HG3  GLU  44          1HG       GLU  44   8.151   4.021   2.631
  375    H    ASN  45           H        ASN  45   9.032   2.730   1.303
  376    HA   ASN  45           HA       ASN  45  11.499   4.057   0.984
  377    HB2  ASN  45          2HB       ASN  45  11.167   2.241   2.599
  378    HB3  ASN  45          1HB       ASN  45  10.905   1.103   1.276
  379   HD21  ASN  45          1HD2      ASN  45  12.798  -0.184   1.638
  380   HD22  ASN  45          2HD2      ASN  45  14.370   0.431   1.460
  381    H    ALA  46           H        ALA  46   9.824   1.606  -1.023
  382    HA   ALA  46           HA       ALA  46  11.915   1.268  -2.900
  383    HB1  ALA  46          1HB       ALA  46  10.262   0.177  -4.280
  384    HB2  ALA  46          2HB       ALA  46   8.945   0.955  -3.399
  385    HB3  ALA  46          3HB       ALA  46   9.940  -0.260  -2.602
  386    H    LEU  47           H        LEU  47   9.125   3.451  -2.751
  387    HA   LEU  47           HA       LEU  47   9.379   4.636  -5.277
  388    HB2  LEU  47          2HB       LEU  47   7.547   4.829  -3.426
  389    HB3  LEU  47          1HB       LEU  47   8.535   6.169  -2.836
  390    HG   LEU  47           HG       LEU  47   7.553   5.944  -5.699
  391   HD11  LEU  47          1HD1      LEU  47   6.445   7.715  -3.505
  392   HD12  LEU  47          2HD1      LEU  47   5.714   6.181  -3.973
  393   HD13  LEU  47          3HD1      LEU  47   5.808   7.502  -5.136
  394   HD21  LEU  47          1HD2      LEU  47   8.043   8.577  -5.289
  395   HD22  LEU  47          2HD2      LEU  47   9.279   7.465  -5.863
  396   HD23  LEU  47          3HD2      LEU  47   9.214   7.899  -4.157
  397    H    GLY  48           H        GLY  48  10.833   5.555  -2.122
  398    HA2  GLY  48          2HA       GLY  48  12.136   7.892  -3.023
  399    HA3  GLY  48          1HA       GLY  48  12.599   6.941  -1.611
  400    H    TRP  49           H        TRP  49  13.165   4.510  -2.846
  401    HA   TRP  49           HA       TRP  49  15.843   4.887  -3.653
  402    HB2  TRP  49          2HB       TRP  49  13.979   2.514  -3.852
  403    HB3  TRP  49          1HB       TRP  49  15.666   2.449  -4.361
  404    HD1  TRP  49           HD       TRP  49  15.223   4.726  -1.464
  405    HE1  TRP  49          1HE       TRP  49  16.042   3.578   0.693
  406    HE3  TRP  49          3HE       TRP  49  15.679  -0.076  -3.138
  407    HZ2  TRP  49          2HZ       TRP  49  16.789   0.969   1.591
  408    HZ3  TRP  49          3HZ       TRP  49  16.448  -1.873  -1.612
  409    HH2  TRP  49           HH       TRP  49  17.004  -1.356   0.749
  410    H    ARG  50           H        ARG  50  12.867   4.346  -5.493
  411    HA   ARG  50           HA       ARG  50  14.205   4.159  -8.022
  412    HB2  ARG  50          2HB       ARG  50  11.309   4.595  -7.267
  413    HB3  ARG  50          1HB       ARG  50  11.868   4.460  -8.935
  414    HG2  ARG  50          2HG       ARG  50  12.783   2.237  -8.488
  415    HG3  ARG  50          1HG       ARG  50  12.329   2.367  -6.789
  416    HD2  ARG  50          2HD       ARG  50   9.954   2.535  -7.434
  417    HD3  ARG  50          1HD       ARG  50  10.405   2.401  -9.131
  418    HE   ARG  50           HE       ARG  50  10.408   0.248  -7.156
  419   HH11  ARG  50          1HH1      ARG  50  10.773  -1.825  -8.015
  420   HH12  ARG  50          2HH1      ARG  50  11.260  -1.996  -9.669
  421   HH21  ARG  50          1HH2      ARG  50  11.284   1.411 -10.296
  422   HH22  ARG  50          2HH2      ARG  50  11.549  -0.168 -10.955
  Start of MODEL    2
    1    H    FME   1           H        FME   1 -11.899  -5.117   1.712
    2    HCN  FME   1           HF       FME   1 -12.031  -4.338   3.906
    3    HA   FME   1           HA       FME   1  -9.381  -4.075   1.219
    4    HB2  FME   1          1HB       FME   1 -11.618  -3.979  -0.803
    5    HB3  FME   1          2HB       FME   1 -10.875  -5.500  -0.306
    6    HG2  FME   1          1HG       FME   1  -8.649  -4.567  -0.957
    7    HG3  FME   1          2HG       FME   1  -9.464  -3.121  -1.558
    8    HE1  FME   1          1HE       FME   1  -8.057  -3.576  -3.386
    9    HE2  FME   1          2HE       FME   1  -8.595  -4.407  -4.844
   10    HE3  FME   1          3HE       FME   1  -7.636  -5.275  -3.647
   11    H    ALA   2           H        ALA   2 -12.519  -2.459   1.128
   12    HA   ALA   2           HA       ALA   2 -11.648  -0.008   0.019
   13    HB1  ALA   2          1HB       ALA   2 -13.754   0.874   0.690
   14    HB2  ALA   2          2HB       ALA   2 -13.915  -0.302   1.995
   15    HB3  ALA   2          3HB       ALA   2 -14.054  -0.821   0.314
   16    H    GLY   3           H        GLY   3 -11.842  -1.170   3.365
   17    HA2  GLY   3          2HA       GLY   3 -11.239   1.277   4.639
   18    HA3  GLY   3          1HA       GLY   3 -10.953  -0.320   5.325
   19    H    LEU   4           H        LEU   4  -9.181  -1.322   3.413
   20    HA   LEU   4           HA       LEU   4  -6.714  -0.328   4.340
   21    HB2  LEU   4          2HB       LEU   4  -6.939  -2.602   3.537
   22    HB3  LEU   4          1HB       LEU   4  -7.413  -2.042   1.940
   23    HG   LEU   4           HG       LEU   4  -4.999  -2.814   2.177
   24   HD11  LEU   4          1HD1      LEU   4  -6.038  -0.870   0.565
   25   HD12  LEU   4          2HD1      LEU   4  -4.380  -1.453   0.471
   26   HD13  LEU   4          3HD1      LEU   4  -4.739   0.022   1.357
   27   HD21  LEU   4          1HD2      LEU   4  -4.503  -0.157   3.511
   28   HD22  LEU   4          2HD2      LEU   4  -3.427  -1.550   3.388
   29   HD23  LEU   4          3HD2      LEU   4  -4.822  -1.606   4.466
   30    H    LEU   5           H        LEU   5  -8.487   0.207   1.296
   31    HA   LEU   5           HA       LEU   5  -6.541   1.814   0.035
   32    HB2  LEU   5          2HB       LEU   5  -9.552   1.742  -0.250
   33    HB3  LEU   5          1HB       LEU   5  -8.491   2.679  -1.301
   34    HG   LEU   5           HG       LEU   5  -8.232  -0.303  -0.850
   35   HD11  LEU   5          1HD1      LEU   5  -9.454   1.187  -3.193
   36   HD12  LEU   5          2HD1      LEU   5 -10.363   0.301  -1.970
   37   HD13  LEU   5          3HD1      LEU   5  -9.275  -0.563  -3.055
   38   HD21  LEU   5          1HD2      LEU   5  -6.766   1.746  -2.473
   39   HD22  LEU   5          2HD2      LEU   5  -6.989   0.150  -3.185
   40   HD23  LEU   5          3HD2      LEU   5  -6.150   0.317  -1.647
   41    H    ARG   6           H        ARG   6  -9.294   2.638   2.119
   42    HA   ARG   6           HA       ARG   6  -9.034   5.428   1.972
   43    HB2  ARG   6          2HB       ARG   6 -11.010   4.303   2.920
   44    HB3  ARG   6          1HB       ARG   6 -10.045   3.737   4.278
   45    HG2  ARG   6          2HG       ARG   6  -9.915   6.673   3.793
   46    HG3  ARG   6          1HG       ARG   6 -11.495   6.073   4.279
   47    HD2  ARG   6          2HD       ARG   6  -8.936   5.452   5.779
   48    HD3  ARG   6          1HD       ARG   6 -10.018   6.776   6.201
   49    HE   ARG   6           HE       ARG   6 -11.553   4.423   6.082
   50   HH11  ARG   6          1HH1      ARG   6 -12.080   3.336   8.009
   51   HH12  ARG   6          2HH1      ARG   6 -11.122   3.582   9.431
   52   HH21  ARG   6          1HH2      ARG   6  -8.932   5.793   7.901
   53   HH22  ARG   6          2HH2      ARG   6  -9.343   4.971   9.370
   54    H    PHE   7           H        PHE   7  -7.606   3.079   4.223
   55    HA   PHE   7           HA       PHE   7  -6.281   4.892   5.911
   56    HB2  PHE   7          2HB       PHE   7  -6.599   2.473   6.372
   57    HB3  PHE   7          1HB       PHE   7  -5.418   2.098   5.122
   58    HD1  PHE   7          1HD       PHE   7  -3.089   2.177   5.568
   59    HD2  PHE   7          2HD       PHE   7  -5.866   3.862   8.382
   60    HE1  PHE   7          1HE       PHE   7  -1.254   2.431   7.221
   61    HE2  PHE   7          2HE       PHE   7  -4.036   4.118  10.033
   62    HZ   PHE   7           HZ       PHE   7  -1.734   3.400   9.459
   63    H    LEU   8           H        LEU   8  -5.150   3.258   2.943
   64    HA   LEU   8           HA       LEU   8  -2.533   4.303   3.045
   65    HB2  LEU   8          2HB       LEU   8  -4.232   3.156   0.854
   66    HB3  LEU   8          1HB       LEU   8  -2.668   3.870   0.473
   67    HG   LEU   8           HG       LEU   8  -3.118   1.658   2.508
   68   HD11  LEU   8          1HD1      LEU   8  -1.663   1.341  -0.103
   69   HD12  LEU   8          2HD1      LEU   8  -3.419   1.215  -0.063
   70   HD13  LEU   8          3HD1      LEU   8  -2.433   0.107   0.894
   71   HD21  LEU   8          1HD2      LEU   8  -0.418   1.650   1.785
   72   HD22  LEU   8          2HD2      LEU   8  -1.085   2.339   3.264
   73   HD23  LEU   8          3HD2      LEU   8  -0.804   3.370   1.869
   74    H    LEU   9           H        LEU   9  -5.495   5.506   1.510
   75    HA   LEU   9           HA       LEU   9  -4.345   7.721   0.190
   76    HB2  LEU   9          2HB       LEU   9  -6.726   6.655   0.041
   77    HB3  LEU   9          1HB       LEU   9  -7.115   7.786   1.332
   78    HG   LEU   9           HG       LEU   9  -5.878   8.571  -1.322
   79   HD11  LEU   9          1HD1      LEU   9  -8.738   8.836  -0.347
   80   HD12  LEU   9          2HD1      LEU   9  -8.180   7.702  -1.575
   81   HD13  LEU   9          3HD1      LEU   9  -8.110   9.437  -1.882
   82   HD21  LEU   9          1HD2      LEU   9  -6.953  10.845  -0.381
   83   HD22  LEU   9          2HD2      LEU   9  -5.322  10.347   0.056
   84   HD23  LEU   9          3HD2      LEU   9  -6.659  10.046   1.165
   85    H    SER  10           H        SER  10  -5.778   7.395   3.434
   86    HA   SER  10           HA       SER  10  -5.596  10.095   4.175
   87    HB2  SER  10          2HB       SER  10  -6.885   8.439   5.456
   88    HB3  SER  10          1HB       SER  10  -5.391   7.631   5.923
   89    HG   SER  10           HG       SER  10  -5.377   9.010   7.505
   90    H    LYS  11           H        LYS  11  -3.251   7.433   4.487
   91    HA   LYS  11           HA       LYS  11  -1.335   9.000   5.909
   92    HB2  LYS  11          2HB       LYS  11  -1.028   6.452   4.315
   93    HB3  LYS  11          1HB       LYS  11   0.230   7.144   5.333
   94    HG2  LYS  11          2HG       LYS  11  -2.520   6.323   6.326
   95    HG3  LYS  11          1HG       LYS  11  -1.074   5.328   6.472
   96    HD2  LYS  11          2HD       LYS  11  -0.043   7.432   7.645
   97    HD3  LYS  11          1HD       LYS  11  -1.724   7.923   7.860
   98    HE2  LYS  11          2HE       LYS  11  -2.234   5.854   9.032
   99    HE3  LYS  11          1HE       LYS  11  -0.599   5.256   8.747
  100    HZ1  LYS  11          1HZ       LYS  11   0.130   6.371  10.500
  101    HZ2  LYS  11          2HZ       LYS  11  -1.472   6.794  10.872
  102    HZ3  LYS  11          3HZ       LYS  11  -0.517   7.828   9.920
  103    H    GLY  12           H        GLY  12  -1.727   8.191   2.464
  104    HA2  GLY  12          2HA       GLY  12  -0.424  10.589   1.648
  105    HA3  GLY  12          1HA       GLY  12   0.621   9.189   1.431
  106    H    ARG  13           H        ARG  13  -0.278  10.786  -0.688
  107    HA   ARG  13           HA       ARG  13  -2.475   9.413  -2.013
  108    HB2  ARG  13          2HB       ARG  13  -0.631  11.649  -2.892
  109    HB3  ARG  13          1HB       ARG  13  -1.938  10.998  -3.882
  110    HG2  ARG  13          2HG       ARG  13  -3.576  11.611  -2.162
  111    HG3  ARG  13          1HG       ARG  13  -2.284  12.217  -1.126
  112    HD2  ARG  13          2HD       ARG  13  -2.838  13.278  -3.909
  113    HD3  ARG  13          1HD       ARG  13  -3.486  14.008  -2.443
  114    HE   ARG  13           HE       ARG  13  -0.701  13.758  -2.140
  115   HH11  ARG  13          1HH1      ARG  13   0.605  15.583  -2.470
  116   HH12  ARG  13          2HH1      ARG  13   0.012  16.912  -3.407
  117   HH21  ARG  13          1HH2      ARG  13  -3.052  15.416  -4.063
  118   HH22  ARG  13          2HH2      ARG  13  -2.063  16.817  -4.308
  119    H    ALA  14           H        ALA  14   1.014   9.542  -2.108
  120    HA   ALA  14           HA       ALA  14   1.458   8.270  -4.562
  121    HB1  ALA  14          1HB       ALA  14   3.007   8.682  -2.053
  122    HB2  ALA  14          2HB       ALA  14   3.389   9.167  -3.704
  123    HB3  ALA  14          3HB       ALA  14   3.616   7.491  -3.204
  124    H    LEU  15           H        LEU  15   1.152   6.874  -1.283
  125    HA   LEU  15           HA       LEU  15   1.568   4.184  -2.000
  126    HB2  LEU  15          2HB       LEU  15  -0.266   5.141   0.197
  127    HB3  LEU  15          1HB       LEU  15   0.639   3.640   0.129
  128    HG   LEU  15           HG       LEU  15   2.052   6.314   0.117
  129   HD11  LEU  15          1HD1      LEU  15   2.339   5.793   2.632
  130   HD12  LEU  15          2HD1      LEU  15   0.925   4.757   2.433
  131   HD13  LEU  15          3HD1      LEU  15   0.808   6.487   2.105
  132   HD21  LEU  15          1HD2      LEU  15   3.794   4.827   1.267
  133   HD22  LEU  15          2HD2      LEU  15   3.518   4.520  -0.445
  134   HD23  LEU  15          3HD2      LEU  15   2.811   3.455   0.770
  135    H    TYR  16           H        TYR  16  -1.368   6.149  -1.844
  136    HA   TYR  16           HA       TYR  16  -3.271   4.137  -2.329
  137    HB2  TYR  16          2HB       TYR  16  -3.895   6.337  -1.552
  138    HB3  TYR  16          1HB       TYR  16  -3.261   7.080  -3.014
  139    HD1  TYR  16          1HD       TYR  16  -4.793   7.658  -4.632
  140    HD2  TYR  16          2HD       TYR  16  -5.626   4.301  -2.080
  141    HE1  TYR  16          1HE       TYR  16  -6.974   7.343  -5.761
  142    HE2  TYR  16          2HE       TYR  16  -7.809   3.989  -3.212
  143    HH   TYR  16           HH       TYR  16  -8.953   4.529  -5.174
  144    H    ASN  17           H        ASN  17  -1.531   6.281  -4.585
  145    HA   ASN  17           HA       ASN  17  -2.771   5.330  -6.937
  146    HB2  ASN  17          2HB       ASN  17  -1.465   7.389  -6.916
  147    HB3  ASN  17          1HB       ASN  17   0.002   6.483  -6.548
  148   HD21  ASN  17          1HD2      ASN  17   1.133   6.900  -8.515
  149   HD22  ASN  17          2HD2      ASN  17   0.581   6.361 -10.029
  150    H    TRP  18           H        TRP  18   0.105   4.294  -5.186
  151    HA   TRP  18           HA       TRP  18   1.068   2.372  -6.980
  152    HB2  TRP  18          2HB       TRP  18   2.461   3.018  -5.160
  153    HB3  TRP  18          1HB       TRP  18   1.218   2.630  -3.976
  154    HD1  TRP  18           HD       TRP  18   1.143   0.235  -3.043
  155    HE1  TRP  18          1HE       TRP  18   2.486  -1.927  -3.496
  156    HE3  TRP  18          3HE       TRP  18   3.769   1.665  -7.190
  157    HZ2  TRP  18          2HZ       TRP  18   4.425  -2.910  -5.364
  158    HZ3  TRP  18          3HZ       TRP  18   5.354   0.106  -8.278
  159    HH2  TRP  18           HH       TRP  18   5.687  -2.179  -7.371
  160    H    ALA  19           H        ALA  19  -1.189   2.031  -4.251
  161    HA   ALA  19           HA       ALA  19  -1.594  -0.738  -4.502
  162    HB1  ALA  19          1HB       ALA  19  -3.288   1.473  -3.346
  163    HB2  ALA  19          2HB       ALA  19  -2.324   0.268  -2.488
  164    HB3  ALA  19          3HB       ALA  19  -3.803  -0.213  -3.321
  165    H    LYS  20           H        LYS  20  -3.280   2.013  -5.953
  166    HA   LYS  20           HA       LYS  20  -5.339   0.528  -7.195
  167    HB2  LYS  20          2HB       LYS  20  -5.394   2.981  -6.869
  168    HB3  LYS  20          1HB       LYS  20  -4.118   3.152  -8.078
  169    HG2  LYS  20          2HG       LYS  20  -5.553   2.077  -9.762
  170    HG3  LYS  20          1HG       LYS  20  -6.827   1.881  -8.561
  171    HD2  LYS  20          2HD       LYS  20  -6.957   4.332  -8.291
  172    HD3  LYS  20          1HD       LYS  20  -5.688   4.530  -9.502
  173    HE2  LYS  20          2HE       LYS  20  -7.891   4.829 -10.545
  174    HE3  LYS  20          1HE       LYS  20  -7.122   3.365 -11.164
  175    HZ1  LYS  20          1HZ       LYS  20  -8.835   3.149  -8.798
  176    HZ2  LYS  20          2HZ       LYS  20  -8.548   2.020 -10.035
  177    HZ3  LYS  20          3HZ       LYS  20  -9.580   3.341 -10.309
  178    H    SER  21           H        SER  21  -2.160   1.609  -8.374
  179    HA   SER  21           HA       SER  21  -2.436   0.684 -11.020
  180    HB2  SER  21          2HB       SER  21   0.023   0.832 -11.101
  181    HB3  SER  21          1HB       SER  21  -0.692   2.255 -10.350
  182    HG   SER  21           HG       SER  21   1.173   0.939  -9.313
  183    H    HIS  22           H        HIS  22  -1.191  -0.925  -8.093
  184    HA   HIS  22           HA       HIS  22  -1.202  -3.483  -9.603
  185    HB2  HIS  22          2HB       HIS  22   0.760  -2.458  -7.548
  186    HB3  HIS  22          1HB       HIS  22   0.622  -4.165  -7.958
  187    HD1  HIS  22          1HD       HIS  22   1.463  -0.822  -9.539
  188    HD2  HIS  22          2HD       HIS  22   1.840  -4.888 -10.378
  189    HE1  HIS  22          1HE       HIS  22   2.910  -0.995 -11.611
  190    HE2  HIS  22          2HE       HIS  22   3.154  -3.467 -12.133
  191    H    VAL  23           H        VAL  23  -3.342  -3.868  -8.890
  192    HA   VAL  23           HA       VAL  23  -4.083  -3.858  -6.150
  193    HB   VAL  23           HB       VAL  23  -6.011  -5.242  -6.907
  194   HG11  VAL  23          1HG1      VAL  23  -5.246  -2.853  -8.608
  195   HG12  VAL  23          2HG1      VAL  23  -6.217  -2.846  -7.135
  196   HG13  VAL  23          3HG1      VAL  23  -6.855  -3.575  -8.610
  197   HG21  VAL  23          1HG2      VAL  23  -6.118  -5.565  -9.455
  198   HG22  VAL  23          2HG2      VAL  23  -5.058  -6.657  -8.561
  199   HG23  VAL  23          3HG2      VAL  23  -4.376  -5.291  -9.445
  200    H    GLY  24           H        GLY  24  -2.369  -6.047  -8.189
  201    HA2  GLY  24          2HA       GLY  24  -2.765  -8.465  -6.803
  202    HA3  GLY  24          1HA       GLY  24  -1.364  -8.082  -7.798
  203    H    LYS  25           H        LYS  25  -0.404  -5.848  -6.361
  204    HA   LYS  25           HA       LYS  25   1.150  -7.100  -4.362
  205    HB2  LYS  25          2HB       LYS  25   0.561  -4.166  -4.829
  206    HB3  LYS  25          1HB       LYS  25   1.818  -4.776  -3.755
  207    HG2  LYS  25          2HG       LYS  25   1.736  -5.656  -6.630
  208    HG3  LYS  25          1HG       LYS  25   2.453  -4.106  -6.200
  209    HD2  LYS  25          2HD       LYS  25   3.986  -5.243  -4.637
  210    HD3  LYS  25          1HD       LYS  25   3.279  -6.798  -5.065
  211    HE2  LYS  25          2HE       LYS  25   5.312  -6.472  -6.361
  212    HE3  LYS  25          1HE       LYS  25   3.915  -6.397  -7.438
  213    HZ1  LYS  25          1HZ       LYS  25   5.412  -4.100  -6.308
  214    HZ2  LYS  25          2HZ       LYS  25   3.971  -3.957  -7.196
  215    HZ3  LYS  25          3HZ       LYS  25   5.369  -4.586  -7.931
  216    H    VAL  26           H        VAL  26  -1.764  -5.130  -4.244
  217    HA   VAL  26           HA       VAL  26  -1.948  -4.821  -1.456
  218    HB   VAL  26           HB       VAL  26  -4.098  -4.938  -3.572
  219   HG11  VAL  26          1HG1      VAL  26  -5.135  -5.452  -1.440
  220   HG12  VAL  26          2HG1      VAL  26  -5.475  -3.762  -1.802
  221   HG13  VAL  26          3HG1      VAL  26  -4.218  -4.178  -0.637
  222   HG21  VAL  26          1HG2      VAL  26  -3.040  -2.542  -2.066
  223   HG22  VAL  26          2HG2      VAL  26  -3.965  -2.567  -3.567
  224   HG23  VAL  26          3HG2      VAL  26  -2.284  -3.101  -3.558
  225    H    TRP  27           H        TRP  27  -3.293  -7.235  -3.637
  226    HA   TRP  27           HA       TRP  27  -4.659  -8.747  -1.691
  227    HB2  TRP  27          2HB       TRP  27  -3.569  -9.450  -4.419
  228    HB3  TRP  27          1HB       TRP  27  -4.421 -10.625  -3.417
  229    HD1  TRP  27           HD       TRP  27  -5.093  -8.180  -6.012
  230    HE1  TRP  27          1HE       TRP  27  -7.574  -7.475  -6.026
  231    HE3  TRP  27          3HE       TRP  27  -6.564 -10.026  -1.483
  232    HZ2  TRP  27          2HZ       TRP  27  -9.869  -7.661  -4.338
  233    HZ3  TRP  27          3HZ       TRP  27  -8.903  -9.744  -0.708
  234    HH2  TRP  27           HH       TRP  27 -10.555  -8.565  -2.131
  235    H    GLU  28           H        GLU  28  -1.384  -9.021  -3.007
  236    HA   GLU  28           HA       GLU  28  -0.598 -11.374  -1.735
  237    HB2  GLU  28          2HB       GLU  28   0.650 -10.161  -3.548
  238    HB3  GLU  28          1HB       GLU  28   1.182  -9.000  -2.331
  239    HG2  GLU  28          2HG       GLU  28   2.918 -10.651  -2.554
  240    HG3  GLU  28          1HG       GLU  28   2.115 -10.944  -1.012
  241    H    TRP  29           H        TRP  29  -0.309  -7.974  -0.591
  242    HA   TRP  29           HA       TRP  29   1.037  -8.730   1.807
  243    HB2  TRP  29          2HB       TRP  29  -0.713  -6.299   1.648
  244    HB3  TRP  29          1HB       TRP  29   0.722  -6.553   2.612
  245    HD1  TRP  29           HD       TRP  29  -0.234  -4.514  -0.015
  246    HE1  TRP  29          1HE       TRP  29   1.658  -3.943  -1.662
  247    HE3  TRP  29          3HE       TRP  29   3.149  -8.126   1.246
  248    HZ2  TRP  29          2HZ       TRP  29   4.272  -4.878  -2.346
  249    HZ3  TRP  29          3HZ       TRP  29   5.321  -8.242   0.094
  250    HH2  TRP  29           HH       TRP  29   5.898  -6.635  -1.694
  251    H    LEU  30           H        LEU  30  -2.398  -8.301   0.997
  252    HA   LEU  30           HA       LEU  30  -3.330  -8.559   3.669
  253    HB2  LEU  30          2HB       LEU  30  -4.579  -8.816   0.968
  254    HB3  LEU  30          1HB       LEU  30  -5.456  -9.490   2.338
  255    HG   LEU  30           HG       LEU  30  -5.154  -7.228   3.493
  256   HD11  LEU  30          1HD1      LEU  30  -3.312  -6.569   1.758
  257   HD12  LEU  30          2HD1      LEU  30  -4.465  -5.342   2.282
  258   HD13  LEU  30          3HD1      LEU  30  -4.679  -6.145   0.728
  259   HD21  LEU  30          1HD2      LEU  30  -7.025  -6.232   2.310
  260   HD22  LEU  30          2HD2      LEU  30  -7.252  -7.981   2.375
  261   HD23  LEU  30          3HD2      LEU  30  -6.691  -7.219   0.885
  262    H    LYS  31           H        LYS  31  -2.745 -10.981   1.135
  263    HA   LYS  31           HA       LYS  31  -3.713 -13.215   2.553
  264    HB2  LYS  31          2HB       LYS  31  -3.088 -13.244   0.133
  265    HB3  LYS  31          1HB       LYS  31  -1.390 -13.145   0.605
  266    HG2  LYS  31          2HG       LYS  31  -1.590 -15.251   1.848
  267    HG3  LYS  31          1HG       LYS  31  -3.303 -15.345   1.438
  268    HD2  LYS  31          2HD       LYS  31  -2.723 -15.435  -0.961
  269    HD3  LYS  31          1HD       LYS  31  -1.009 -15.363  -0.544
  270    HE2  LYS  31          2HE       LYS  31  -1.227 -17.459   0.734
  271    HE3  LYS  31          1HE       LYS  31  -2.940 -17.532   0.328
  272    HZ1  LYS  31          1HZ       LYS  31  -0.987 -17.294  -1.849
  273    HZ2  LYS  31          2HZ       LYS  31  -2.507 -18.054  -1.836
  274    HZ3  LYS  31          3HZ       LYS  31  -1.175 -18.799  -1.089
  275    H    SER  32           H        SER  32  -0.513 -11.687   2.453
  276    HA   SER  32           HA       SER  32   0.828 -13.535   4.095
  277    HB2  SER  32          2HB       SER  32   1.999 -11.844   2.754
  278    HB3  SER  32          1HB       SER  32   1.316 -10.567   3.756
  279    HG   SER  32           HG       SER  32   3.405 -11.140   4.453
  280    H    GLY  33           H        GLY  33  -1.001 -10.594   4.892
  281    HA2  GLY  33          2HA       GLY  33  -2.314 -10.450   6.898
  282    HA3  GLY  33          1HA       GLY  33  -1.189 -11.555   7.681
  283    H    ALA  34           H        ALA  34   0.620  -9.436   5.878
  284    HA   ALA  34           HA       ALA  34   1.916  -8.213   7.992
  285    HB1  ALA  34          1HB       ALA  34   2.480  -6.399   6.260
  286    HB2  ALA  34          2HB       ALA  34   1.521  -7.358   5.132
  287    HB3  ALA  34          3HB       ALA  34   2.957  -8.055   5.882
  288    H    THR  35           H        THR  35   1.966  -5.639   8.102
  289    HA   THR  35           HA       THR  35  -0.776  -4.833   8.855
  290    HB   THR  35           HB       THR  35   0.276  -3.244  10.352
  291    HG1  THR  35          1HG       THR  35   2.607  -3.269  10.455
  292   HG21  THR  35          1HG2      THR  35   1.485  -6.017  10.420
  293   HG22  THR  35          2HG2      THR  35   0.043  -5.458  11.265
  294   HG23  THR  35          3HG2      THR  35   1.632  -4.867  11.749
  295    H    TYR  36           H        TYR  36  -1.492  -2.706   8.344
  296    HA   TYR  36           HA       TYR  36  -1.042  -1.911   5.702
  297    HB2  TYR  36          2HB       TYR  36  -2.054  -0.059   7.836
  298    HB3  TYR  36          1HB       TYR  36  -2.510  -0.133   6.132
  299    HD1  TYR  36          1HD       TYR  36  -3.130  -2.836   5.533
  300    HD2  TYR  36          2HD       TYR  36  -3.792  -0.720   9.209
  301    HE1  TYR  36          1HE       TYR  36  -4.978  -4.396   6.098
  302    HE2  TYR  36          2HE       TYR  36  -5.639  -2.278   9.778
  303    HH   TYR  36           HH       TYR  36  -6.305  -5.119   7.794
  304    H    GLU  37           H        GLU  37   0.250  -0.676   8.745
  305    HA   GLU  37           HA       GLU  37   1.606   1.546   7.680
  306    HB2  GLU  37          2HB       GLU  37   2.132  -0.113  10.143
  307    HB3  GLU  37          1HB       GLU  37   2.989   1.381   9.768
  308    HG2  GLU  37          2HG       GLU  37   0.894   2.636   9.786
  309    HG3  GLU  37          1HG       GLU  37  -0.024   1.152  10.042
  310    H    GLN  38           H        GLN  38   2.777  -1.717   8.455
  311    HA   GLN  38           HA       GLN  38   5.416  -1.334   7.611
  312    HB2  GLN  38          2HB       GLN  38   4.798  -3.244   8.932
  313    HB3  GLN  38          1HB       GLN  38   3.702  -3.820   7.674
  314    HG2  GLN  38          2HG       GLN  38   5.554  -4.208   6.164
  315    HG3  GLN  38          1HG       GLN  38   6.684  -3.466   7.298
  316   HE21  GLN  38          1HE2      GLN  38   4.993  -6.415   6.516
  317   HE22  GLN  38          2HE2      GLN  38   5.603  -7.335   7.805
  318    H    ILE  39           H        ILE  39   2.543  -2.360   5.779
  319    HA   ILE  39           HA       ILE  39   3.876  -2.985   3.391
  320    HB   ILE  39           HB       ILE  39   1.021  -2.112   3.902
  321   HG12  ILE  39          2HG1      ILE  39   2.096  -4.855   3.249
  322   HG13  ILE  39          1HG1      ILE  39   2.070  -4.272   4.908
  323   HG21  ILE  39          1HG2      ILE  39   0.612  -3.209   1.678
  324   HG22  ILE  39          2HG2      ILE  39   2.359  -3.331   1.453
  325   HG23  ILE  39          3HG2      ILE  39   1.584  -1.747   1.545
  326   HD11  ILE  39          1HD1      ILE  39  -0.374  -3.799   4.638
  327   HD12  ILE  39          2HD1      ILE  39   0.016  -5.503   4.508
  328   HD13  ILE  39          3HD1      ILE  39  -0.309  -4.554   3.056
  329    H    LYS  40           H        LYS  40   2.402   0.169   4.485
  330    HA   LYS  40           HA       LYS  40   3.116   1.413   1.988
  331    HB2  LYS  40          2HB       LYS  40   2.925   3.629   3.074
  332    HB3  LYS  40          1HB       LYS  40   1.456   2.628   3.245
  333    HG2  LYS  40          2HG       LYS  40   1.987   2.090   5.514
  334    HG3  LYS  40          1HG       LYS  40   3.601   2.790   5.378
  335    HD2  LYS  40          2HD       LYS  40   2.526   5.015   4.914
  336    HD3  LYS  40          1HD       LYS  40   0.959   4.274   5.231
  337    HE2  LYS  40          2HE       LYS  40   1.550   3.814   7.518
  338    HE3  LYS  40          1HE       LYS  40   3.231   4.264   7.236
  339    HZ1  LYS  40          1HZ       LYS  40   1.268   6.290   6.560
  340    HZ2  LYS  40          2HZ       LYS  40   2.755   6.438   7.373
  341    HZ3  LYS  40          3HZ       LYS  40   1.374   5.918   8.212
  342    H    GLU  41           H        GLU  41   4.736   0.946   5.063
  343    HA   GLU  41           HA       GLU  41   6.858   2.696   4.734
  344    HB2  GLU  41          2HB       GLU  41   6.482   1.428   6.797
  345    HB3  GLU  41          1HB       GLU  41   6.939  -0.058   5.966
  346    HG2  GLU  41          2HG       GLU  41   9.171   0.871   5.515
  347    HG3  GLU  41          1HG       GLU  41   8.714   2.374   6.315
  348    H    TRP  42           H        TRP  42   6.553  -0.705   3.677
  349    HA   TRP  42           HA       TRP  42   9.057  -0.865   2.395
  350    HB2  TRP  42          2HB       TRP  42   6.454  -2.241   1.686
  351    HB3  TRP  42          1HB       TRP  42   8.019  -2.665   1.014
  352    HD1  TRP  42           HD       TRP  42   9.594  -2.430   3.926
  353    HE1  TRP  42          1HE       TRP  42   9.272  -4.380   5.571
  354    HE3  TRP  42          3HE       TRP  42   5.287  -4.463   2.065
  355    HZ2  TRP  42          2HZ       TRP  42   7.442  -6.524   6.042
  356    HZ3  TRP  42          3HZ       TRP  42   4.278  -6.462   3.129
  357    HH2  TRP  42           HH       TRP  42   5.351  -7.493   5.116
  358    H    ILE  43           H        ILE  43   5.875   0.095   1.190
  359    HA   ILE  43           HA       ILE  43   6.620   0.408  -1.522
  360    HB   ILE  43           HB       ILE  43   4.439   1.680   0.134
  361   HG12  ILE  43          2HG1      ILE  43   4.297  -0.483  -1.972
  362   HG13  ILE  43          1HG1      ILE  43   4.520  -0.833  -0.258
  363   HG21  ILE  43          1HG2      ILE  43   3.367   2.170  -2.088
  364   HG22  ILE  43          2HG2      ILE  43   4.897   1.752  -2.865
  365   HG23  ILE  43          3HG2      ILE  43   4.807   3.138  -1.775
  366   HD11  ILE  43          1HD1      ILE  43   2.407  -0.012   0.319
  367   HD12  ILE  43          2HD1      ILE  43   2.096  -0.807  -1.224
  368   HD13  ILE  43          3HD1      ILE  43   2.265   0.947  -1.153
  369    H    GLU  44           H        GLU  44   6.532   2.822   1.098
  370    HA   GLU  44           HA       GLU  44   7.285   4.912  -0.635
  371    HB2  GLU  44          2HB       GLU  44   7.439   6.332   1.290
  372    HB3  GLU  44          1HB       GLU  44   6.011   5.304   1.450
  373    HG2  GLU  44          2HG       GLU  44   6.741   4.523   3.427
  374    HG3  GLU  44          1HG       GLU  44   8.236   3.955   2.695
  375    H    ASN  45           H        ASN  45   9.158   2.669   1.391
  376    HA   ASN  45           HA       ASN  45  11.635   3.998   1.111
  377    HB2  ASN  45          2HB       ASN  45  11.288   2.172   2.719
  378    HB3  ASN  45          1HB       ASN  45  11.051   1.043   1.385
  379   HD21  ASN  45          1HD2      ASN  45  12.946  -0.218   1.880
  380   HD22  ASN  45          2HD2      ASN  45  14.514   0.390   1.664
  381    H    ALA  46           H        ALA  46   9.980   1.544  -0.886
  382    HA   ALA  46           HA       ALA  46  12.081   1.156  -2.732
  383    HB1  ALA  46          1HB       ALA  46  10.306  -0.444  -2.712
  384    HB2  ALA  46          2HB       ALA  46  10.203   0.391  -4.261
  385    HB3  ALA  46          3HB       ALA  46   9.087   0.807  -2.961
  386    H    LEU  47           H        LEU  47   9.332   3.380  -2.662
  387    HA   LEU  47           HA       LEU  47   9.642   4.530  -5.192
  388    HB2  LEU  47          2HB       LEU  47   7.778   4.756  -3.372
  389    HB3  LEU  47          1HB       LEU  47   8.744   6.114  -2.801
  390    HG   LEU  47           HG       LEU  47   7.804   5.802  -5.669
  391   HD11  LEU  47          1HD1      LEU  47   5.822   6.095  -4.410
  392   HD12  LEU  47          2HD1      LEU  47   6.244   7.719  -4.954
  393   HD13  LEU  47          3HD1      LEU  47   6.595   7.223  -3.298
  394   HD21  LEU  47          1HD2      LEU  47   9.389   7.838  -4.148
  395   HD22  LEU  47          2HD2      LEU  47   8.263   8.436  -5.367
  396   HD23  LEU  47          3HD2      LEU  47   9.546   7.319  -5.826
  397    H    GLY  48           H        GLY  48  11.057   5.443  -2.042
  398    HA2  GLY  48          2HA       GLY  48  12.397   7.761  -2.958
  399    HA3  GLY  48          1HA       GLY  48  12.815   6.829  -1.520
  400    H    TRP  49           H        TRP  49  13.404   4.359  -2.694
  401    HA   TRP  49           HA       TRP  49  16.095   4.719  -3.460
  402    HB2  TRP  49          2HB       TRP  49  15.490   2.637  -2.473
  403    HB3  TRP  49          1HB       TRP  49  14.224   2.353  -3.667
  404    HD1  TRP  49           HD       TRP  49  18.066   2.854  -3.619
  405    HE1  TRP  49          1HE       TRP  49  19.098   1.335  -5.427
  406    HE3  TRP  49          3HE       TRP  49  13.816   0.822  -5.613
  407    HZ2  TRP  49          2HZ       TRP  49  18.242  -0.496  -7.449
  408    HZ3  TRP  49          3HZ       TRP  49  13.959  -0.807  -7.477
  409    HH2  TRP  49           HH       TRP  49  16.165  -1.467  -8.396
  410    H    ARG  50           H        ARG  50  13.163   4.128  -5.357
  411    HA   ARG  50           HA       ARG  50  14.442   3.862  -7.874
  412    HB2  ARG  50          2HB       ARG  50  11.633   4.657  -7.088
  413    HB3  ARG  50          1HB       ARG  50  12.144   4.464  -8.766
  414    HG2  ARG  50          2HG       ARG  50  12.794   2.136  -8.322
  415    HG3  ARG  50          1HG       ARG  50  12.343   2.320  -6.627
  416    HD2  ARG  50          2HD       ARG  50  10.015   2.758  -7.276
  417    HD3  ARG  50          1HD       ARG  50  10.453   2.628  -8.978
  418    HE   ARG  50           HE       ARG  50  11.269   0.258  -7.748
  419   HH11  ARG  50          1HH1      ARG  50   9.942  -1.591  -7.800
  420   HH12  ARG  50          2HH1      ARG  50   8.242  -1.419  -8.085
  421   HH21  ARG  50          1HH2      ARG  50   8.370   2.033  -8.367
  422   HH22  ARG  50          2HH2      ARG  50   7.352   0.631  -8.404
  Start of MODEL    3
    1    H    FME   1           H        FME   1 -12.354  -3.682   1.932
    2    HCN  FME   1           HF       FME   1 -12.133  -5.833   2.811
    3    HA   FME   1           HA       FME   1  -9.645  -3.903   0.966
    4    HB2  FME   1          1HB       FME   1 -11.882  -3.830  -1.066
    5    HB3  FME   1          2HB       FME   1 -10.959  -5.278  -0.669
    6    HG2  FME   1          1HG       FME   1  -8.871  -4.082  -1.297
    7    HG3  FME   1          2HG       FME   1  -9.835  -2.677  -1.751
    8    HE1  FME   1          1HE       FME   1  -8.351  -4.905  -4.854
    9    HE2  FME   1          2HE       FME   1  -7.791  -5.009  -3.186
   10    HE3  FME   1          3HE       FME   1  -8.063  -3.430  -3.919
   11    H    ALA   2           H        ALA   2 -12.769  -2.268   0.825
   12    HA   ALA   2           HA       ALA   2 -11.894   0.207  -0.188
   13    HB1  ALA   2          1HB       ALA   2 -14.289  -0.590   0.101
   14    HB2  ALA   2          2HB       ALA   2 -13.980   1.079   0.576
   15    HB3  ALA   2          3HB       ALA   2 -14.129  -0.173   1.807
   16    H    GLY   3           H        GLY   3 -12.115  -1.014   3.145
   17    HA2  GLY   3          2HA       GLY   3 -11.412   1.398   4.427
   18    HA3  GLY   3          1HA       GLY   3 -11.209  -0.214   5.108
   19    H    LEU   4           H        LEU   4  -9.483  -1.274   3.160
   20    HA   LEU   4           HA       LEU   4  -6.957  -0.498   4.108
   21    HB2  LEU   4          2HB       LEU   4  -7.570  -2.705   3.125
   22    HB3  LEU   4          1HB       LEU   4  -7.719  -1.950   1.551
   23    HG   LEU   4           HG       LEU   4  -5.526  -3.256   2.268
   24   HD11  LEU   4          1HD1      LEU   4  -5.551  -2.464   0.107
   25   HD12  LEU   4          2HD1      LEU   4  -4.233  -1.529   0.792
   26   HD13  LEU   4          3HD1      LEU   4  -5.818  -0.793   0.591
   27   HD21  LEU   4          1HD2      LEU   4  -4.822  -0.455   3.180
   28   HD22  LEU   4          2HD2      LEU   4  -3.769  -1.860   3.141
   29   HD23  LEU   4          3HD2      LEU   4  -5.115  -1.807   4.270
   30    H    LEU   5           H        LEU   5  -8.662   0.263   1.083
   31    HA   LEU   5           HA       LEU   5  -6.618   1.811  -0.106
   32    HB2  LEU   5          2HB       LEU   5  -9.625   1.842  -0.468
   33    HB3  LEU   5          1HB       LEU   5  -8.506   2.750  -1.480
   34    HG   LEU   5           HG       LEU   5  -8.342  -0.251  -1.068
   35   HD11  LEU   5          1HD1      LEU   5  -9.226  -0.242  -3.498
   36   HD12  LEU   5          2HD1      LEU   5  -9.769   1.399  -3.153
   37   HD13  LEU   5          3HD1      LEU   5 -10.392   0.048  -2.206
   38   HD21  LEU   5          1HD2      LEU   5  -6.247   0.339  -1.869
   39   HD22  LEU   5          2HD2      LEU   5  -6.845   1.772  -2.697
   40   HD23  LEU   5          3HD2      LEU   5  -7.098   0.177  -3.405
   41    H    ARG   6           H        ARG   6  -9.397   2.707   1.948
   42    HA   ARG   6           HA       ARG   6  -9.041   5.496   1.850
   43    HB2  ARG   6          2HB       ARG   6 -11.061   4.355   2.739
   44    HB3  ARG   6          1HB       ARG   6 -10.128   3.835   4.139
   45    HG2  ARG   6          2HG       ARG   6 -10.016   6.758   3.547
   46    HG3  ARG   6          1HG       ARG   6 -11.592   6.152   4.049
   47    HD2  ARG   6          2HD       ARG   6 -10.572   5.154   6.058
   48    HD3  ARG   6          1HD       ARG   6  -8.995   5.754   5.561
   49    HE   ARG   6           HE       ARG   6 -10.963   7.847   5.755
   50   HH11  ARG   6          1HH1      ARG   6 -10.651   9.328   7.464
   51   HH12  ARG   6          2HH1      ARG   6  -9.583   8.921   8.767
   52   HH21  ARG   6          1HH2      ARG   6  -8.762   5.814   7.475
   53   HH22  ARG   6          2HH2      ARG   6  -8.518   6.938   8.769
   54    H    PHE   7           H        PHE   7  -7.733   3.057   4.092
   55    HA   PHE   7           HA       PHE   7  -6.418   4.803   5.839
   56    HB2  PHE   7          2HB       PHE   7  -6.789   2.403   6.289
   57    HB3  PHE   7          1HB       PHE   7  -5.640   1.993   5.015
   58    HD1  PHE   7          1HD       PHE   7  -3.286   2.092   5.389
   59    HD2  PHE   7          2HD       PHE   7  -6.007   3.677   8.309
   60    HE1  PHE   7          1HE       PHE   7  -1.421   2.301   7.006
   61    HE2  PHE   7          2HE       PHE   7  -4.141   3.889   9.931
   62    HZ   PHE   7           HZ       PHE   7  -1.849   3.202   9.280
   63    H    LEU   8           H        LEU   8  -5.259   3.182   2.880
   64    HA   LEU   8           HA       LEU   8  -2.606   4.159   3.061
   65    HB2  LEU   8          2HB       LEU   8  -4.294   3.126   0.806
   66    HB3  LEU   8          1HB       LEU   8  -2.701   3.807   0.479
   67    HG   LEU   8           HG       LEU   8  -3.011   1.740   2.652
   68   HD11  LEU   8          1HD1      LEU   8  -2.546  -0.010   0.941
   69   HD12  LEU   8          2HD1      LEU   8  -2.776   1.202  -0.320
   70   HD13  LEU   8          3HD1      LEU   8  -4.124   0.749   0.723
   71   HD21  LEU   8          1HD2      LEU   8  -0.865   3.133   1.999
   72   HD22  LEU   8          2HD2      LEU   8  -0.753   1.969   0.677
   73   HD23  LEU   8          3HD2      LEU   8  -0.717   1.410   2.348
   74    H    LEU   9           H        LEU   9  -5.515   5.461   1.485
   75    HA   LEU   9           HA       LEU   9  -4.272   7.669   0.247
   76    HB2  LEU   9          2HB       LEU   9  -6.671   6.649   0.007
   77    HB3  LEU   9          1HB       LEU   9  -7.083   7.794   1.282
   78    HG   LEU   9           HG       LEU   9  -5.733   8.524  -1.336
   79   HD11  LEU   9          1HD1      LEU   9  -7.943   7.876  -1.893
   80   HD12  LEU   9          2HD1      LEU   9  -8.031   9.629  -1.713
   81   HD13  LEU   9          3HD1      LEU   9  -8.606   8.580  -0.417
   82   HD21  LEU   9          1HD2      LEU   9  -6.539  10.037   1.119
   83   HD22  LEU   9          2HD2      LEU   9  -6.734  10.839  -0.440
   84   HD23  LEU   9          3HD2      LEU   9  -5.144  10.272   0.068
   85    H    SER  10           H        SER  10  -5.807   7.327   3.448
   86    HA   SER  10           HA       SER  10  -5.556  10.015   4.232
   87    HB2  SER  10          2HB       SER  10  -5.752   9.143   6.535
   88    HB3  SER  10          1HB       SER  10  -6.945   8.426   5.454
   89    HG   SER  10           HG       SER  10  -4.565   7.320   6.504
   90    H    LYS  11           H        LYS  11  -3.280   7.277   4.544
   91    HA   LYS  11           HA       LYS  11  -1.357   8.790   6.042
   92    HB2  LYS  11          2HB       LYS  11  -1.041   6.251   4.432
   93    HB3  LYS  11          1HB       LYS  11   0.221   6.945   5.445
   94    HG2  LYS  11          2HG       LYS  11  -2.519   6.130   6.456
   95    HG3  LYS  11          1HG       LYS  11  -1.076   5.129   6.579
   96    HD2  LYS  11          2HD       LYS  11  -0.023   7.228   7.743
   97    HD3  LYS  11          1HD       LYS  11  -1.700   7.714   7.992
   98    HE2  LYS  11          2HE       LYS  11  -2.182   5.573   9.097
   99    HE3  LYS  11          1HE       LYS  11  -0.507   5.071   8.858
  100    HZ1  LYS  11          1HZ       LYS  11  -0.330   5.958  10.921
  101    HZ2  LYS  11          2HZ       LYS  11  -1.615   7.047  10.700
  102    HZ3  LYS  11          3HZ       LYS  11  -0.089   7.383  10.032
  103    H    GLY  12           H        GLY  12  -1.695   8.066   2.584
  104    HA2  GLY  12          2HA       GLY  12  -0.245  10.432   1.875
  105    HA3  GLY  12          1HA       GLY  12   0.702   8.974   1.608
  106    H    ARG  13           H        ARG  13  -0.002  10.657  -0.489
  107    HA   ARG  13           HA       ARG  13  -2.292   9.491  -1.872
  108    HB2  ARG  13          2HB       ARG  13  -1.247  12.005  -1.879
  109    HB3  ARG  13          1HB       ARG  13  -0.457  11.355  -3.310
  110    HG2  ARG  13          2HG       ARG  13  -3.453  11.211  -2.827
  111    HG3  ARG  13          1HG       ARG  13  -2.671  12.480  -3.768
  112    HD2  ARG  13          2HD       ARG  13  -1.670  10.666  -5.210
  113    HD3  ARG  13          1HD       ARG  13  -2.692   9.516  -4.360
  114    HE   ARG  13           HE       ARG  13  -4.172  11.725  -5.474
  115   HH11  ARG  13          1HH1      ARG  13  -5.538  11.186  -7.237
  116   HH12  ARG  13          2HH1      ARG  13  -5.344   9.655  -8.023
  117   HH21  ARG  13          1HH2      ARG  13  -2.705   8.653  -6.021
  118   HH22  ARG  13          2HH2      ARG  13  -3.740   8.222  -7.340
  119    H    ALA  14           H        ALA  14   1.228   9.500  -1.993
  120    HA   ALA  14           HA       ALA  14   1.563   8.188  -4.464
  121    HB1  ALA  14          1HB       ALA  14   3.769   7.411  -3.275
  122    HB2  ALA  14          2HB       ALA  14   3.237   8.504  -1.997
  123    HB3  ALA  14          3HB       ALA  14   3.523   9.120  -3.624
  124    H    LEU  15           H        LEU  15   1.206   6.921  -1.163
  125    HA   LEU  15           HA       LEU  15   1.643   4.198  -1.738
  126    HB2  LEU  15          2HB       LEU  15  -0.279   5.284   0.325
  127    HB3  LEU  15          1HB       LEU  15   0.608   3.767   0.373
  128    HG   LEU  15           HG       LEU  15   1.985   6.458   0.329
  129   HD11  LEU  15          1HD1      LEU  15   0.970   4.802   2.635
  130   HD12  LEU  15          2HD1      LEU  15   0.715   6.518   2.324
  131   HD13  LEU  15          3HD1      LEU  15   2.302   5.939   2.828
  132   HD21  LEU  15          1HD2      LEU  15   3.765   4.945   1.468
  133   HD22  LEU  15          2HD2      LEU  15   3.542   4.783  -0.273
  134   HD23  LEU  15          3HD2      LEU  15   2.832   3.600   0.826
  135    H    TYR  16           H        TYR  16  -1.298   6.162  -1.728
  136    HA   TYR  16           HA       TYR  16  -3.160   4.112  -2.275
  137    HB2  TYR  16          2HB       TYR  16  -3.897   6.245  -1.472
  138    HB3  TYR  16          1HB       TYR  16  -3.213   7.073  -2.866
  139    HD1  TYR  16          1HD       TYR  16  -4.643   7.579  -4.631
  140    HD2  TYR  16          2HD       TYR  16  -5.569   4.271  -2.053
  141    HE1  TYR  16          1HE       TYR  16  -6.776   7.244  -5.834
  142    HE2  TYR  16          2HE       TYR  16  -7.706   3.929  -3.264
  143    HH   TYR  16           HH       TYR  16  -8.483   5.748  -6.174
  144    H    ASN  17           H        ASN  17  -1.374   6.294  -4.427
  145    HA   ASN  17           HA       ASN  17  -2.509   5.419  -6.844
  146    HB2  ASN  17          2HB       ASN  17  -1.179   7.466  -6.700
  147    HB3  ASN  17          1HB       ASN  17   0.257   6.523  -6.302
  148   HD21  ASN  17          1HD2      ASN  17   0.152   8.215  -8.635
  149   HD22  ASN  17          2HD2      ASN  17   0.207   7.215 -10.006
  150    H    TRP  18           H        TRP  18   0.361   4.316  -5.057
  151    HA   TRP  18           HA       TRP  18   1.279   2.408  -6.892
  152    HB2  TRP  18          2HB       TRP  18   2.679   3.029  -5.038
  153    HB3  TRP  18          1HB       TRP  18   1.460   2.518  -3.870
  154    HD1  TRP  18           HD       TRP  18   1.355   0.030  -3.227
  155    HE1  TRP  18          1HE       TRP  18   2.756  -2.043  -3.840
  156    HE3  TRP  18          3HE       TRP  18   4.089   1.928  -7.099
  157    HZ2  TRP  18          2HZ       TRP  18   4.768  -2.798  -5.723
  158    HZ3  TRP  18          3HZ       TRP  18   5.736   0.508  -8.284
  159    HH2  TRP  18           HH       TRP  18   6.085  -1.852  -7.603
  160    H    ALA  19           H        ALA  19  -1.015   2.052  -4.182
  161    HA   ALA  19           HA       ALA  19  -1.443  -0.716  -4.453
  162    HB1  ALA  19          1HB       ALA  19  -3.147   1.506  -3.321
  163    HB2  ALA  19          2HB       ALA  19  -2.193   0.307  -2.448
  164    HB3  ALA  19          3HB       ALA  19  -3.659  -0.181  -3.294
  165    H    LYS  20           H        LYS  20  -3.118   2.055  -5.904
  166    HA   LYS  20           HA       LYS  20  -5.151   0.590  -7.205
  167    HB2  LYS  20          2HB       LYS  20  -5.183   3.045  -6.840
  168    HB3  LYS  20          1HB       LYS  20  -3.901   3.218  -8.043
  169    HG2  LYS  20          2HG       LYS  20  -5.344   2.157  -9.737
  170    HG3  LYS  20          1HG       LYS  20  -6.626   1.980  -8.542
  171    HD2  LYS  20          2HD       LYS  20  -6.708   4.444  -8.280
  172    HD3  LYS  20          1HD       LYS  20  -5.452   4.608  -9.510
  173    HE2  LYS  20          2HE       LYS  20  -6.909   3.491 -11.156
  174    HE3  LYS  20          1HE       LYS  20  -8.166   3.321  -9.932
  175    HZ1  LYS  20          1HZ       LYS  20  -7.195   6.002 -10.155
  176    HZ2  LYS  20          2HZ       LYS  20  -8.791   5.421 -10.202
  177    HZ3  LYS  20          3HZ       LYS  20  -7.848   5.437 -11.615
  178    H    SER  21           H        SER  21  -1.949   1.672  -8.294
  179    HA   SER  21           HA       SER  21  -2.135   0.812 -10.961
  180    HB2  SER  21          2HB       SER  21  -0.368   2.276 -10.466
  181    HB3  SER  21          1HB       SER  21   0.164   1.307  -9.095
  182    HG   SER  21           HG       SER  21   1.500   0.541 -10.544
  183    H    HIS  22           H        HIS  22  -0.986  -0.871  -8.040
  184    HA   HIS  22           HA       HIS  22  -1.051  -3.408  -9.575
  185    HB2  HIS  22          2HB       HIS  22   0.919  -2.562  -7.440
  186    HB3  HIS  22          1HB       HIS  22   0.816  -4.177  -8.144
  187    HD1  HIS  22          1HD       HIS  22   1.153  -4.262 -10.842
  188    HD2  HIS  22          2HD       HIS  22   2.456  -0.795  -8.928
  189    HE1  HIS  22          1HE       HIS  22   2.726  -3.100 -12.455
  190    HE2  HIS  22          2HE       HIS  22   3.523  -0.981 -11.302
  191    H    VAL  23           H        VAL  23  -3.118  -3.886  -8.858
  192    HA   VAL  23           HA       VAL  23  -3.882  -3.820  -6.123
  193    HB   VAL  23           HB       VAL  23  -5.802  -5.206  -6.866
  194   HG11  VAL  23          1HG1      VAL  23  -6.614  -3.571  -8.637
  195   HG12  VAL  23          2HG1      VAL  23  -5.012  -2.837  -8.567
  196   HG13  VAL  23          3HG1      VAL  23  -6.043  -2.834  -7.138
  197   HG21  VAL  23          1HG2      VAL  23  -4.249  -5.222  -9.470
  198   HG22  VAL  23          2HG2      VAL  23  -5.938  -5.707  -9.327
  199   HG23  VAL  23          3HG2      VAL  23  -4.683  -6.623  -8.491
  200    H    GLY  24           H        GLY  24  -2.108  -6.015  -8.090
  201    HA2  GLY  24          2HA       GLY  24  -2.538  -8.415  -6.669
  202    HA3  GLY  24          1HA       GLY  24  -1.124  -8.052  -7.660
  203    H    LYS  25           H        LYS  25  -0.256  -5.730  -6.175
  204    HA   LYS  25           HA       LYS  25   1.296  -6.983  -4.158
  205    HB2  LYS  25          2HB       LYS  25   0.718  -4.038  -4.593
  206    HB3  LYS  25          1HB       LYS  25   2.001  -4.680  -3.574
  207    HG2  LYS  25          2HG       LYS  25   1.800  -5.411  -6.497
  208    HG3  LYS  25          1HG       LYS  25   2.634  -3.952  -5.980
  209    HD2  LYS  25          2HD       LYS  25   4.131  -5.340  -4.553
  210    HD3  LYS  25          1HD       LYS  25   3.319  -6.791  -5.130
  211    HE2  LYS  25          2HE       LYS  25   3.978  -6.285  -7.430
  212    HE3  LYS  25          1HE       LYS  25   4.750  -4.794  -6.893
  213    HZ1  LYS  25          1HZ       LYS  25   6.216  -6.132  -5.487
  214    HZ2  LYS  25          2HZ       LYS  25   6.379  -6.536  -7.130
  215    HZ3  LYS  25          3HZ       LYS  25   5.501  -7.549  -6.085
  216    H    VAL  26           H        VAL  26  -1.638  -5.075  -4.088
  217    HA   VAL  26           HA       VAL  26  -1.924  -4.777  -1.308
  218    HB   VAL  26           HB       VAL  26  -3.930  -4.859  -3.562
  219   HG11  VAL  26          1HG1      VAL  26  -4.300  -4.270  -0.608
  220   HG12  VAL  26          2HG1      VAL  26  -5.145  -5.480  -1.576
  221   HG13  VAL  26          3HG1      VAL  26  -5.449  -3.764  -1.848
  222   HG21  VAL  26          1HG2      VAL  26  -2.159  -3.002  -3.303
  223   HG22  VAL  26          2HG2      VAL  26  -3.048  -2.522  -1.859
  224   HG23  VAL  26          3HG2      VAL  26  -3.841  -2.487  -3.435
  225    H    TRP  27           H        TRP  27  -3.133  -7.201  -3.556
  226    HA   TRP  27           HA       TRP  27  -4.533  -8.789  -1.688
  227    HB2  TRP  27          2HB       TRP  27  -3.303  -9.384  -4.375
  228    HB3  TRP  27          1HB       TRP  27  -4.166 -10.614  -3.458
  229    HD1  TRP  27           HD       TRP  27  -4.782  -8.148  -6.036
  230    HE1  TRP  27          1HE       TRP  27  -7.277  -7.508  -6.180
  231    HE3  TRP  27          3HE       TRP  27  -6.464 -10.091  -1.614
  232    HZ2  TRP  27          2HZ       TRP  27  -9.664  -7.782  -4.640
  233    HZ3  TRP  27          3HZ       TRP  27  -8.851  -9.888  -0.983
  234    HH2  TRP  27           HH       TRP  27 -10.453  -8.739  -2.490
  235    H    GLU  28           H        GLU  28  -1.194  -8.967  -2.907
  236    HA   GLU  28           HA       GLU  28  -0.397 -11.310  -1.652
  237    HB2  GLU  28          2HB       GLU  28   1.126  -8.815  -2.388
  238    HB3  GLU  28          1HB       GLU  28   1.918 -10.224  -1.686
  239    HG2  GLU  28          2HG       GLU  28   0.233 -10.280  -4.202
  240    HG3  GLU  28          1HG       GLU  28   1.992 -10.204  -4.175
  241    H    TRP  29           H        TRP  29  -0.250  -7.928  -0.390
  242    HA   TRP  29           HA       TRP  29   0.978  -8.754   2.056
  243    HB2  TRP  29          2HB       TRP  29  -0.749  -6.321   1.978
  244    HB3  TRP  29          1HB       TRP  29   0.753  -6.596   2.833
  245    HD1  TRP  29           HD       TRP  29  -0.386  -4.509   0.323
  246    HE1  TRP  29          1HE       TRP  29   1.389  -3.929  -1.451
  247    HE3  TRP  29          3HE       TRP  29   3.031  -8.169   1.288
  248    HZ2  TRP  29          2HZ       TRP  29   3.933  -4.887  -2.323
  249    HZ3  TRP  29          3HZ       TRP  29   5.114  -8.292  -0.010
  250    HH2  TRP  29           HH       TRP  29   5.570  -6.677  -1.822
  251    H    LEU  30           H        LEU  30  -2.398  -8.319   1.090
  252    HA   LEU  30           HA       LEU  30  -3.470  -8.626   3.693
  253    HB2  LEU  30          2HB       LEU  30  -4.614  -8.981   0.934
  254    HB3  LEU  30          1HB       LEU  30  -5.563  -9.410   2.361
  255    HG   LEU  30           HG       LEU  30  -4.229  -6.711   1.976
  256   HD11  LEU  30          1HD1      LEU  30  -5.904  -6.753   0.300
  257   HD12  LEU  30          2HD1      LEU  30  -6.680  -5.963   1.672
  258   HD13  LEU  30          3HD1      LEU  30  -7.026  -7.655   1.320
  259   HD21  LEU  30          1HD2      LEU  30  -4.609  -6.727   4.236
  260   HD22  LEU  30          2HD2      LEU  30  -5.827  -7.996   4.141
  261   HD23  LEU  30          3HD2      LEU  30  -6.256  -6.327   3.767
  262    H    LYS  31           H        LYS  31  -2.716 -11.005   1.183
  263    HA   LYS  31           HA       LYS  31  -3.748 -13.260   2.541
  264    HB2  LYS  31          2HB       LYS  31  -3.102 -13.244   0.131
  265    HB3  LYS  31          1HB       LYS  31  -1.408 -13.159   0.618
  266    HG2  LYS  31          2HG       LYS  31  -1.624 -15.291   1.815
  267    HG3  LYS  31          1HG       LYS  31  -3.334 -15.372   1.389
  268    HD2  LYS  31          2HD       LYS  31  -2.735 -15.412  -1.008
  269    HD3  LYS  31          1HD       LYS  31  -1.024 -15.354  -0.577
  270    HE2  LYS  31          2HE       LYS  31  -1.704 -17.672  -1.012
  271    HE3  LYS  31          1HE       LYS  31  -1.292 -17.467   0.690
  272    HZ1  LYS  31          1HZ       LYS  31  -3.498 -17.494   1.321
  273    HZ2  LYS  31          2HZ       LYS  31  -3.461 -18.668   0.092
  274    HZ3  LYS  31          3HZ       LYS  31  -4.067 -17.113  -0.230
  275    H    SER  32           H        SER  32  -0.538 -11.753   2.487
  276    HA   SER  32           HA       SER  32   0.776 -13.628   4.137
  277    HB2  SER  32          2HB       SER  32   1.331 -10.684   3.724
  278    HB3  SER  32          1HB       SER  32   2.433 -11.826   4.492
  279    HG   SER  32           HG       SER  32   2.974 -11.712   2.338
  280    H    GLY  33           H        GLY  33  -1.088 -10.730   4.846
  281    HA2  GLY  33          2HA       GLY  33  -2.341 -10.377   6.816
  282    HA3  GLY  33          1HA       GLY  33  -1.383 -11.616   7.625
  283    H    ALA  34           H        ALA  34   0.111  -9.113   5.716
  284    HA   ALA  34           HA       ALA  34   1.740  -8.261   7.913
  285    HB1  ALA  34          1HB       ALA  34   2.877  -8.080   5.915
  286    HB2  ALA  34          2HB       ALA  34   2.318  -6.416   6.094
  287    HB3  ALA  34          3HB       ALA  34   1.457  -7.530   5.031
  288    H    THR  35           H        THR  35   2.004  -5.851   8.342
  289    HA   THR  35           HA       THR  35  -0.589  -4.777   9.110
  290    HB   THR  35           HB       THR  35   0.904  -3.013  10.221
  291    HG1  THR  35          1HG       THR  35   2.742  -3.555   8.883
  292   HG21  THR  35          1HG2      THR  35   1.509  -4.603  12.030
  293   HG22  THR  35          2HG2      THR  35   1.161  -5.942  10.934
  294   HG23  THR  35          3HG2      THR  35  -0.133  -4.854  11.438
  295    H    TYR  36           H        TYR  36  -1.351  -2.724   8.568
  296    HA   TYR  36           HA       TYR  36  -1.022  -1.904   5.903
  297    HB2  TYR  36          2HB       TYR  36  -2.029  -0.229   8.212
  298    HB3  TYR  36          1HB       TYR  36  -2.396   0.001   6.502
  299    HD1  TYR  36          1HD       TYR  36  -3.185  -2.395   5.348
  300    HD2  TYR  36          2HD       TYR  36  -3.740  -1.223   9.445
  301    HE1  TYR  36          1HE       TYR  36  -5.076  -3.992   5.554
  302    HE2  TYR  36          2HE       TYR  36  -5.625  -2.819   9.647
  303    HH   TYR  36           HH       TYR  36  -7.043  -4.148   8.492
  304    H    GLU  37           H        GLU  37   0.396  -0.694   8.901
  305    HA   GLU  37           HA       GLU  37   1.745   1.526   7.811
  306    HB2  GLU  37          2HB       GLU  37   1.363   1.164  10.248
  307    HB3  GLU  37          1HB       GLU  37   2.563  -0.127  10.206
  308    HG2  GLU  37          2HG       GLU  37   4.289   1.447   9.489
  309    HG3  GLU  37          1HG       GLU  37   3.110   2.753   9.417
  310    H    GLN  38           H        GLN  38   2.919  -1.753   8.531
  311    HA   GLN  38           HA       GLN  38   5.544  -1.349   7.645
  312    HB2  GLN  38          2HB       GLN  38   4.818  -3.294   8.934
  313    HB3  GLN  38          1HB       GLN  38   3.906  -3.884   7.548
  314    HG2  GLN  38          2HG       GLN  38   6.002  -3.978   6.237
  315    HG3  GLN  38          1HG       GLN  38   6.902  -3.433   7.650
  316   HE21  GLN  38          1HE2      GLN  38   8.014  -5.263   8.391
  317   HE22  GLN  38          2HE2      GLN  38   7.294  -6.776   8.657
  318    H    ILE  39           H        ILE  39   2.637  -2.326   5.874
  319    HA   ILE  39           HA       ILE  39   3.922  -2.934   3.455
  320    HB   ILE  39           HB       ILE  39   1.077  -2.096   4.057
  321   HG12  ILE  39          2HG1      ILE  39   2.124  -4.841   3.359
  322   HG13  ILE  39          1HG1      ILE  39   2.176  -4.263   5.019
  323   HG21  ILE  39          1HG2      ILE  39   1.672  -1.736   1.651
  324   HG22  ILE  39          2HG2      ILE  39   0.558  -3.088   1.855
  325   HG23  ILE  39          3HG2      ILE  39   2.273  -3.401   1.578
  326   HD11  ILE  39          1HD1      ILE  39   0.098  -5.481   4.701
  327   HD12  ILE  39          2HD1      ILE  39  -0.281  -4.516   3.274
  328   HD13  ILE  39          3HD1      ILE  39  -0.276  -3.773   4.862
  329    H    LYS  40           H        LYS  40   2.436   0.206   4.600
  330    HA   LYS  40           HA       LYS  40   3.068   1.430   2.077
  331    HB2  LYS  40          2HB       LYS  40   2.965   3.652   3.177
  332    HB3  LYS  40          1HB       LYS  40   1.480   2.676   3.387
  333    HG2  LYS  40          2HG       LYS  40   2.116   2.086   5.638
  334    HG3  LYS  40          1HG       LYS  40   3.706   2.828   5.436
  335    HD2  LYS  40          2HD       LYS  40   2.576   5.015   5.015
  336    HD3  LYS  40          1HD       LYS  40   1.032   4.252   5.380
  337    HE2  LYS  40          2HE       LYS  40   1.730   3.787   7.648
  338    HE3  LYS  40          1HE       LYS  40   3.369   4.346   7.305
  339    HZ1  LYS  40          1HZ       LYS  40   1.539   5.905   8.363
  340    HZ2  LYS  40          2HZ       LYS  40   1.168   6.172   6.726
  341    HZ3  LYS  40          3HZ       LYS  40   2.729   6.501   7.314
  342    H    GLU  41           H        GLU  41   4.823   0.926   5.086
  343    HA   GLU  41           HA       GLU  41   6.933   2.676   4.688
  344    HB2  GLU  41          2HB       GLU  41   6.593   1.354   6.741
  345    HB3  GLU  41          1HB       GLU  41   7.099  -0.093   5.867
  346    HG2  GLU  41          2HG       GLU  41   9.277   0.928   5.396
  347    HG3  GLU  41          1HG       GLU  41   8.777   2.406   6.218
  348    H    TRP  42           H        TRP  42   6.608  -0.719   3.629
  349    HA   TRP  42           HA       TRP  42   9.074  -0.857   2.265
  350    HB2  TRP  42          2HB       TRP  42   6.459  -2.263   1.673
  351    HB3  TRP  42          1HB       TRP  42   8.000  -2.685   0.946
  352    HD1  TRP  42           HD       TRP  42   9.730  -2.428   3.745
  353    HE1  TRP  42          1HE       TRP  42   9.485  -4.353   5.435
  354    HE3  TRP  42          3HE       TRP  42   5.280  -4.403   2.194
  355    HZ2  TRP  42          2HZ       TRP  42   7.647  -6.463   6.050
  356    HZ3  TRP  42          3HZ       TRP  42   4.285  -6.359   3.350
  357    HH2  TRP  42           HH       TRP  42   5.477  -7.395   5.276
  358    H    ILE  43           H        ILE  43   5.843   0.097   1.211
  359    HA   ILE  43           HA       ILE  43   6.450   0.406  -1.521
  360    HB   ILE  43           HB       ILE  43   4.362   1.711   0.216
  361   HG12  ILE  43          2HG1      ILE  43   4.121  -0.483  -1.867
  362   HG13  ILE  43          1HG1      ILE  43   4.315  -0.793  -0.141
  363   HG21  ILE  43          1HG2      ILE  43   4.609   3.186  -1.636
  364   HG22  ILE  43          2HG2      ILE  43   3.245   2.145  -2.048
  365   HG23  ILE  43          3HG2      ILE  43   4.830   1.851  -2.766
  366   HD11  ILE  43          1HD1      ILE  43   2.227   0.121   0.396
  367   HD12  ILE  43          2HD1      ILE  43   1.903  -0.697  -1.132
  368   HD13  ILE  43          3HD1      ILE  43   2.141   1.051  -1.098
  369    H    GLU  44           H        GLU  44   6.498   2.841   1.089
  370    HA   GLU  44           HA       GLU  44   7.222   4.910  -0.683
  371    HB2  GLU  44          2HB       GLU  44   7.445   6.324   1.244
  372    HB3  GLU  44          1HB       GLU  44   6.011   5.305   1.443
  373    HG2  GLU  44          2HG       GLU  44   6.796   4.518   3.395
  374    HG3  GLU  44          1HG       GLU  44   8.260   3.940   2.614
  375    H    ASN  45           H        ASN  45   9.146   2.639   1.274
  376    HA   ASN  45           HA       ASN  45  11.638   3.930   0.924
  377    HB2  ASN  45          2HB       ASN  45  11.313   2.125   2.553
  378    HB3  ASN  45          1HB       ASN  45  10.984   0.992   1.243
  379   HD21  ASN  45          1HD2      ASN  45  12.802  -0.327   1.054
  380   HD22  ASN  45          2HD2      ASN  45  14.405   0.230   1.041
  381    H    ALA  46           H        ALA  46   9.868   1.506  -1.027
  382    HA   ALA  46           HA       ALA  46  11.901   1.124  -2.964
  383    HB1  ALA  46          1HB       ALA  46   9.907  -0.366  -2.653
  384    HB2  ALA  46          2HB       ALA  46  10.157   0.127  -4.326
  385    HB3  ALA  46          3HB       ALA  46   8.903   0.900  -3.357
  386    H    LEU  47           H        LEU  47   9.145   3.349  -2.765
  387    HA   LEU  47           HA       LEU  47   9.356   4.521  -5.295
  388    HB2  LEU  47          2HB       LEU  47   7.568   4.736  -3.388
  389    HB3  LEU  47          1HB       LEU  47   8.564   6.095  -2.866
  390    HG   LEU  47           HG       LEU  47   7.455   5.767  -5.667
  391   HD11  LEU  47          1HD1      LEU  47   6.503   7.493  -3.359
  392   HD12  LEU  47          2HD1      LEU  47   5.657   6.096  -4.023
  393   HD13  LEU  47          3HD1      LEU  47   5.865   7.546  -5.003
  394   HD21  LEU  47          1HD2      LEU  47   8.006   8.387  -5.446
  395   HD22  LEU  47          2HD2      LEU  47   9.229   7.228  -5.961
  396   HD23  LEU  47          3HD2      LEU  47   9.192   7.785  -4.288
  397    H    GLY  48           H        GLY  48  10.903   5.461  -2.185
  398    HA2  GLY  48          2HA       GLY  48  12.200   7.765  -3.167
  399    HA3  GLY  48          1HA       GLY  48  12.695   6.839  -1.752
  400    H    TRP  49           H        TRP  49  13.191   4.362  -2.978
  401    HA   TRP  49           HA       TRP  49  15.846   4.680  -3.899
  402    HB2  TRP  49          2HB       TRP  49  15.235   2.617  -2.845
  403    HB3  TRP  49          1HB       TRP  49  13.919   2.350  -3.988
  404    HD1  TRP  49           HD       TRP  49  14.466   0.943  -6.044
  405    HE1  TRP  49          1HE       TRP  49  16.624   0.067  -7.154
  406    HE3  TRP  49          3HE       TRP  49  17.954   3.345  -3.194
  407    HZ2  TRP  49          2HZ       TRP  49  19.455   0.355  -6.868
  408    HZ3  TRP  49          3HZ       TRP  49  20.372   3.025  -3.632
  409    HH2  TRP  49           HH       TRP  49  21.126   1.534  -5.465
  410    H    ARG  50           H        ARG  50  12.779   4.128  -5.586
  411    HA   ARG  50           HA       ARG  50  14.106   4.133  -8.189
  412    HB2  ARG  50          2HB       ARG  50  12.172   2.593  -7.584
  413    HB3  ARG  50          1HB       ARG  50  11.136   4.020  -7.649
  414    HG2  ARG  50          2HG       ARG  50  11.850   4.436  -9.975
  415    HG3  ARG  50          1HG       ARG  50  12.887   3.011  -9.911
  416    HD2  ARG  50          2HD       ARG  50  10.799   2.406 -10.998
  417    HD3  ARG  50          1HD       ARG  50  10.873   1.618  -9.424
  418    HE   ARG  50           HE       ARG  50   9.557   4.122  -9.188
  419   HH11  ARG  50          1HH1      ARG  50   7.300   4.125  -8.991
  420   HH12  ARG  50          2HH1      ARG  50   6.390   2.733  -9.476
  421   HH21  ARG  50          1HH2      ARG  50   9.187   0.916 -10.432
  422   HH22  ARG  50          2HH2      ARG  50   7.461   0.913 -10.293
  Start of MODEL    4
    1    H    FME   1           H        FME   1 -12.040  -4.837   1.372
    2    HCN  FME   1           HF       FME   1 -12.184  -3.963   3.533
    3    HA   FME   1           HA       FME   1  -9.590  -3.788   0.763
    4    HB2  FME   1          1HB       FME   1 -11.891  -3.583  -1.180
    5    HB3  FME   1          2HB       FME   1 -11.192  -5.140  -0.724
    6    HG2  FME   1          1HG       FME   1  -8.963  -4.338  -1.453
    7    HG3  FME   1          2HG       FME   1  -9.682  -2.804  -1.938
    8    HE1  FME   1          1HE       FME   1  -8.297  -3.452  -4.054
    9    HE2  FME   1          2HE       FME   1  -8.782  -4.639  -5.263
   10    HE3  FME   1          3HE       FME   1  -8.017  -5.176  -3.768
   11    H    ALA   2           H        ALA   2 -12.692  -2.083   0.819
   12    HA   ALA   2           HA       ALA   2 -11.761   0.385  -0.203
   13    HB1  ALA   2          1HB       ALA   2 -14.029  -0.001   1.760
   14    HB2  ALA   2          2HB       ALA   2 -14.176  -0.339   0.037
   15    HB3  ALA   2          3HB       ALA   2 -13.834   1.303   0.582
   16    H    GLY   3           H        GLY   3 -11.928  -0.970   3.060
   17    HA2  GLY   3          2HA       GLY   3 -11.255   1.363   4.485
   18    HA3  GLY   3          1HA       GLY   3 -10.971  -0.283   5.037
   19    H    LEU   4           H        LEU   4  -9.225  -1.194   3.111
   20    HA   LEU   4           HA       LEU   4  -6.734  -0.282   4.041
   21    HB2  LEU   4          2HB       LEU   4  -7.127  -2.512   3.040
   22    HB3  LEU   4          1HB       LEU   4  -7.390  -1.744   1.474
   23    HG   LEU   4           HG       LEU   4  -4.964  -0.693   1.990
   24   HD11  LEU   4          1HD1      LEU   4  -4.797  -3.356   3.375
   25   HD12  LEU   4          2HD1      LEU   4  -4.974  -1.831   4.247
   26   HD13  LEU   4          3HD1      LEU   4  -3.553  -2.116   3.232
   27   HD21  LEU   4          1HD2      LEU   4  -5.528  -2.073   0.049
   28   HD22  LEU   4          2HD2      LEU   4  -5.437  -3.521   1.046
   29   HD23  LEU   4          3HD2      LEU   4  -3.984  -2.571   0.739
   30    H    LEU   5           H        LEU   5  -8.534   0.425   1.056
   31    HA   LEU   5           HA       LEU   5  -6.569   2.035  -0.171
   32    HB2  LEU   5          2HB       LEU   5  -9.589   2.056  -0.420
   33    HB3  LEU   5          1HB       LEU   5  -8.507   2.967  -1.472
   34    HG   LEU   5           HG       LEU   5  -8.410  -0.031  -1.074
   35   HD11  LEU   5          1HD1      LEU   5 -10.456   0.719  -2.246
   36   HD12  LEU   5          2HD1      LEU   5  -9.376  -0.172  -3.315
   37   HD13  LEU   5          3HD1      LEU   5  -9.457   1.588  -3.412
   38   HD21  LEU   5          1HD2      LEU   5  -7.067   0.386  -3.362
   39   HD22  LEU   5          2HD2      LEU   5  -6.268   0.460  -1.796
   40   HD23  LEU   5          3HD2      LEU   5  -6.760   1.949  -2.600
   41    H    ARG   6           H        ARG   6  -9.298   2.861   1.975
   42    HA   ARG   6           HA       ARG   6  -8.959   5.655   1.899
   43    HB2  ARG   6          2HB       ARG   6 -10.953   4.509   2.831
   44    HB3  ARG   6          1HB       ARG   6  -9.985   3.959   4.196
   45    HG2  ARG   6          2HG       ARG   6  -9.874   6.894   3.653
   46    HG3  ARG   6          1HG       ARG   6 -11.434   6.288   4.194
   47    HD2  ARG   6          2HD       ARG   6 -10.360   5.235   6.145
   48    HD3  ARG   6          1HD       ARG   6  -8.792   5.844   5.609
   49    HE   ARG   6           HE       ARG   6 -10.719   7.952   5.884
   50   HH11  ARG   6          1HH1      ARG   6 -10.415   9.387   7.627
   51   HH12  ARG   6          2HH1      ARG   6  -9.373   8.942   8.938
   52   HH21  ARG   6          1HH2      ARG   6  -8.567   5.838   7.597
   53   HH22  ARG   6          2HH2      ARG   6  -8.330   6.928   8.922
   54    H    PHE   7           H        PHE   7  -7.585   3.206   4.037
   55    HA   PHE   7           HA       PHE   7  -6.221   4.917   5.793
   56    HB2  PHE   7          2HB       PHE   7  -6.640   2.488   6.150
   57    HB3  PHE   7          1HB       PHE   7  -5.426   2.129   4.921
   58    HD1  PHE   7          1HD       PHE   7  -3.142   2.087   5.454
   59    HD2  PHE   7          2HD       PHE   7  -5.927   3.881   8.186
   60    HE1  PHE   7          1HE       PHE   7  -1.344   2.286   7.151
   61    HE2  PHE   7          2HE       PHE   7  -4.128   4.081   9.887
   62    HZ   PHE   7           HZ       PHE   7  -1.839   3.278   9.370
   63    H    LEU   8           H        LEU   8  -5.130   3.341   2.802
   64    HA   LEU   8           HA       LEU   8  -2.480   4.278   2.886
   65    HB2  LEU   8          2HB       LEU   8  -4.265   3.399   0.610
   66    HB3  LEU   8          1HB       LEU   8  -2.577   3.843   0.371
   67    HG   LEU   8           HG       LEU   8  -3.241   1.859   2.533
   68   HD11  LEU   8          1HD1      LEU   8  -4.469   1.056   0.543
   69   HD12  LEU   8          2HD1      LEU   8  -3.073   0.032   0.880
   70   HD13  LEU   8          3HD1      LEU   8  -2.998   1.216  -0.420
   71   HD21  LEU   8          1HD2      LEU   8  -0.916   2.827   2.057
   72   HD22  LEU   8          2HD2      LEU   8  -0.963   1.928   0.542
   73   HD23  LEU   8          3HD2      LEU   8  -1.025   1.069   2.083
   74    H    LEU   9           H        LEU   9  -5.420   5.634   1.438
   75    HA   LEU   9           HA       LEU   9  -4.242   7.840   0.154
   76    HB2  LEU   9          2HB       LEU   9  -6.689   6.857   0.073
   77    HB3  LEU   9          1HB       LEU   9  -6.986   7.987   1.382
   78    HG   LEU   9           HG       LEU   9  -7.618   9.167  -0.555
   79   HD11  LEU   9          1HD1      LEU   9  -6.107  10.997  -0.748
   80   HD12  LEU   9          2HD1      LEU   9  -4.737  10.015  -0.250
   81   HD13  LEU   9          3HD1      LEU   9  -5.999  10.420   0.913
   82   HD21  LEU   9          1HD2      LEU   9  -5.042   8.346  -1.910
   83   HD22  LEU   9          2HD2      LEU   9  -6.411   9.182  -2.633
   84   HD23  LEU   9          3HD2      LEU   9  -6.576   7.506  -2.119
   85    H    SER  10           H        SER  10  -5.632   7.503   3.412
   86    HA   SER  10           HA       SER  10  -5.352  10.176   4.232
   87    HB2  SER  10          2HB       SER  10  -5.221   7.658   5.894
   88    HB3  SER  10          1HB       SER  10  -5.534   9.282   6.505
   89    HG   SER  10           HG       SER  10  -7.506   8.360   6.158
   90    H    LYS  11           H        LYS  11  -3.097   7.425   4.447
   91    HA   LYS  11           HA       LYS  11  -1.142   8.902   5.938
   92    HB2  LYS  11          2HB       LYS  11  -0.872   6.383   4.289
   93    HB3  LYS  11          1HB       LYS  11   0.378   7.034   5.340
   94    HG2  LYS  11          2HG       LYS  11  -2.397   6.272   6.296
   95    HG3  LYS  11          1HG       LYS  11  -0.993   5.214   6.403
   96    HD2  LYS  11          2HD       LYS  11   0.135   7.213   7.641
   97    HD3  LYS  11          1HD       LYS  11  -1.512   7.796   7.866
   98    HE2  LYS  11          2HE       LYS  11  -2.153   5.727   8.966
   99    HE3  LYS  11          1HE       LYS  11  -0.555   5.043   8.669
  100    HZ1  LYS  11          1HZ       LYS  11  -0.010   5.908  10.630
  101    HZ2  LYS  11          2HZ       LYS  11  -1.410   6.869  10.705
  102    HZ3  LYS  11          3HZ       LYS  11  -0.037   7.426   9.872
  103    H    GLY  12           H        GLY  12  -1.545   8.221   2.471
  104    HA2  GLY  12          2HA       GLY  12  -0.189  10.602   1.730
  105    HA3  GLY  12          1HA       GLY  12   0.864   9.210   1.508
  106    H    ARG  13           H        ARG  13   0.179  10.715  -0.639
  107    HA   ARG  13           HA       ARG  13  -2.076   9.473  -1.997
  108    HB2  ARG  13          2HB       ARG  13  -1.600  11.897  -2.272
  109    HB3  ARG  13          1HB       ARG  13  -0.067  11.481  -3.037
  110    HG2  ARG  13          2HG       ARG  13  -1.277  10.235  -4.795
  111    HG3  ARG  13          1HG       ARG  13  -2.812  10.661  -4.030
  112    HD2  ARG  13          2HD       ARG  13  -2.371  12.231  -5.845
  113    HD3  ARG  13          1HD       ARG  13  -2.252  13.066  -4.299
  114    HE   ARG  13           HE       ARG  13   0.307  12.115  -5.067
  115   HH11  ARG  13          1HH1      ARG  13   1.783  13.586  -5.940
  116   HH12  ARG  13          2HH1      ARG  13   1.226  15.103  -6.563
  117   HH21  ARG  13          1HH2      ARG  13  -2.105  14.474  -5.823
  118   HH22  ARG  13          2HH2      ARG  13  -0.980  15.612  -6.484
  119    H    ALA  14           H        ALA  14   1.424   9.373  -1.975
  120    HA   ALA  14           HA       ALA  14   1.827   8.013  -4.405
  121    HB1  ALA  14          1HB       ALA  14   3.933   7.177  -3.101
  122    HB2  ALA  14          2HB       ALA  14   3.383   8.297  -1.858
  123    HB3  ALA  14          3HB       ALA  14   3.766   8.896  -3.474
  124    H    LEU  15           H        LEU  15   1.314   6.821  -1.088
  125    HA   LEU  15           HA       LEU  15   1.626   4.084  -1.602
  126    HB2  LEU  15          2HB       LEU  15  -0.328   5.325   0.341
  127    HB3  LEU  15          1HB       LEU  15   0.435   3.742   0.453
  128    HG   LEU  15           HG       LEU  15   1.953   6.362   0.466
  129   HD11  LEU  15          1HD1      LEU  15   0.862   4.624   2.674
  130   HD12  LEU  15          2HD1      LEU  15   0.690   6.364   2.455
  131   HD13  LEU  15          3HD1      LEU  15   2.245   5.687   2.941
  132   HD21  LEU  15          1HD2      LEU  15   3.643   4.647   1.552
  133   HD22  LEU  15          2HD2      LEU  15   3.495   4.740  -0.201
  134   HD23  LEU  15          3HD2      LEU  15   2.686   3.449   0.686
  135    H    TYR  16           H        TYR  16  -1.231   6.168  -1.721
  136    HA   TYR  16           HA       TYR  16  -3.148   4.199  -2.325
  137    HB2  TYR  16          2HB       TYR  16  -3.794   6.414  -1.576
  138    HB3  TYR  16          1HB       TYR  16  -3.076   7.149  -3.002
  139    HD1  TYR  16          1HD       TYR  16  -4.415   7.537  -4.892
  140    HD2  TYR  16          2HD       TYR  16  -5.623   4.592  -2.012
  141    HE1  TYR  16          1HE       TYR  16  -6.561   7.253  -6.082
  142    HE2  TYR  16          2HE       TYR  16  -7.770   4.297  -3.217
  143    HH   TYR  16           HH       TYR  16  -8.926   4.807  -5.085
  144    H    ASN  17           H        ASN  17  -1.208   6.284  -4.470
  145    HA   ASN  17           HA       ASN  17  -2.338   5.379  -6.890
  146    HB2  ASN  17          2HB       ASN  17   0.315   6.620  -6.187
  147    HB3  ASN  17          1HB       ASN  17  -0.060   6.122  -7.835
  148   HD21  ASN  17          1HD2      ASN  17  -2.807   6.814  -7.948
  149   HD22  ASN  17          2HD2      ASN  17  -2.958   8.498  -7.814
  150    H    TRP  18           H        TRP  18   0.440   4.224  -4.992
  151    HA   TRP  18           HA       TRP  18   1.356   2.305  -6.814
  152    HB2  TRP  18          2HB       TRP  18   2.737   2.905  -4.954
  153    HB3  TRP  18          1HB       TRP  18   1.496   2.412  -3.800
  154    HD1  TRP  18           HD       TRP  18   1.334  -0.081  -3.168
  155    HE1  TRP  18          1HE       TRP  18   2.695  -2.178  -3.773
  156    HE3  TRP  18          3HE       TRP  18   4.167   1.772  -7.005
  157    HZ2  TRP  18          2HZ       TRP  18   4.706  -2.972  -5.622
  158    HZ3  TRP  18          3HZ       TRP  18   5.801   0.312  -8.164
  159    HH2  TRP  18           HH       TRP  18   6.072  -2.055  -7.477
  160    H    ALA  19           H        ALA  19  -0.998   2.022  -4.161
  161    HA   ALA  19           HA       ALA  19  -1.467  -0.744  -4.419
  162    HB1  ALA  19          1HB       ALA  19  -2.238   0.414  -2.450
  163    HB2  ALA  19          2HB       ALA  19  -3.652  -0.224  -3.288
  164    HB3  ALA  19          3HB       ALA  19  -3.248   1.488  -3.417
  165    H    LYS  20           H        LYS  20  -2.999   2.074  -5.960
  166    HA   LYS  20           HA       LYS  20  -5.034   0.636  -7.314
  167    HB2  LYS  20          2HB       LYS  20  -5.037   3.102  -6.998
  168    HB3  LYS  20          1HB       LYS  20  -3.724   3.222  -8.170
  169    HG2  LYS  20          2HG       LYS  20  -5.158   2.134  -9.875
  170    HG3  LYS  20          1HG       LYS  20  -6.472   2.061  -8.702
  171    HD2  LYS  20          2HD       LYS  20  -5.134   4.675  -9.383
  172    HD3  LYS  20          1HD       LYS  20  -6.458   4.049 -10.361
  173    HE2  LYS  20          2HE       LYS  20  -7.790   3.847  -8.177
  174    HE3  LYS  20          1HE       LYS  20  -6.513   4.799  -7.426
  175    HZ1  LYS  20          1HZ       LYS  20  -8.356   5.601  -9.602
  176    HZ2  LYS  20          2HZ       LYS  20  -6.932   6.466  -9.263
  177    HZ3  LYS  20          3HZ       LYS  20  -8.145   6.324  -8.083
  178    H    SER  21           H        SER  21  -1.776   1.629  -8.298
  179    HA   SER  21           HA       SER  21  -1.894   0.716 -10.951
  180    HB2  SER  21          2HB       SER  21   0.575   0.760 -10.819
  181    HB3  SER  21          1HB       SER  21  -0.164   2.217 -10.164
  182    HG   SER  21           HG       SER  21   1.418   1.416  -8.750
  183    H    HIS  22           H        HIS  22  -0.886  -0.981  -7.961
  184    HA   HIS  22           HA       HIS  22  -0.966  -3.517  -9.529
  185    HB2  HIS  22          2HB       HIS  22   1.039  -2.638  -7.442
  186    HB3  HIS  22          1HB       HIS  22   0.838  -4.318  -7.940
  187    HD1  HIS  22          1HD       HIS  22   1.743  -0.925  -9.361
  188    HD2  HIS  22          2HD       HIS  22   1.999  -4.953 -10.399
  189    HE1  HIS  22          1HE       HIS  22   3.201  -1.040 -11.430
  190    HE2  HIS  22          2HE       HIS  22   3.359  -3.489 -12.080
  191    H    VAL  23           H        VAL  23  -3.092  -3.912  -8.866
  192    HA   VAL  23           HA       VAL  23  -3.905  -3.882  -6.157
  193    HB   VAL  23           HB       VAL  23  -5.829  -5.231  -6.944
  194   HG11  VAL  23          1HG1      VAL  23  -6.618  -3.615  -8.688
  195   HG12  VAL  23          2HG1      VAL  23  -4.984  -2.959  -8.769
  196   HG13  VAL  23          3HG1      VAL  23  -5.919  -2.817  -7.279
  197   HG21  VAL  23          1HG2      VAL  23  -4.738  -6.722  -8.510
  198   HG22  VAL  23          2HG2      VAL  23  -4.181  -5.367  -9.488
  199   HG23  VAL  23          3HG2      VAL  23  -5.898  -5.757  -9.424
  200    H    GLY  24           H        GLY  24  -2.147  -6.106  -8.123
  201    HA2  GLY  24          2HA       GLY  24  -2.592  -8.500  -6.705
  202    HA3  GLY  24          1HA       GLY  24  -1.178  -8.147  -7.684
  203    H    LYS  25           H        LYS  25  -0.221  -5.888  -6.241
  204    HA   LYS  25           HA       LYS  25   1.297  -7.151  -4.222
  205    HB2  LYS  25          2HB       LYS  25   0.758  -4.214  -4.726
  206    HB3  LYS  25          1HB       LYS  25   1.981  -4.822  -3.615
  207    HG2  LYS  25          2HG       LYS  25   1.966  -5.710  -6.502
  208    HG3  LYS  25          1HG       LYS  25   2.708  -4.184  -6.042
  209    HD2  LYS  25          2HD       LYS  25   4.172  -5.364  -4.449
  210    HD3  LYS  25          1HD       LYS  25   3.442  -6.902  -4.905
  211    HE2  LYS  25          2HE       LYS  25   4.195  -6.581  -7.227
  212    HE3  LYS  25          1HE       LYS  25   4.914  -5.033  -6.782
  213    HZ1  LYS  25          1HZ       LYS  25   6.727  -6.140  -6.218
  214    HZ2  LYS  25          2HZ       LYS  25   5.970  -7.638  -6.478
  215    HZ3  LYS  25          3HZ       LYS  25   5.860  -6.880  -4.962
  216    H    VAL  26           H        VAL  26  -1.603  -5.158  -4.115
  217    HA   VAL  26           HA       VAL  26  -1.845  -4.870  -1.329
  218    HB   VAL  26           HB       VAL  26  -3.906  -4.940  -3.528
  219   HG11  VAL  26          1HG1      VAL  26  -4.150  -4.496  -0.564
  220   HG12  VAL  26          2HG1      VAL  26  -5.210  -5.413  -1.633
  221   HG13  VAL  26          3HG1      VAL  26  -5.232  -3.649  -1.669
  222   HG21  VAL  26          1HG2      VAL  26  -2.928  -2.589  -1.907
  223   HG22  VAL  26          2HG2      VAL  26  -3.782  -2.575  -3.451
  224   HG23  VAL  26          3HG2      VAL  26  -2.101  -3.108  -3.375
  225    H    TRP  27           H        TRP  27  -3.148  -7.265  -3.576
  226    HA   TRP  27           HA       TRP  27  -4.552  -8.800  -1.657
  227    HB2  TRP  27          2HB       TRP  27  -3.426  -9.486  -4.369
  228    HB3  TRP  27          1HB       TRP  27  -4.286 -10.667  -3.382
  229    HD1  TRP  27           HD       TRP  27  -4.928  -8.166  -5.949
  230    HE1  TRP  27          1HE       TRP  27  -7.410  -7.474  -5.992
  231    HE3  TRP  27          3HE       TRP  27  -6.487 -10.135  -1.489
  232    HZ2  TRP  27          2HZ       TRP  27  -9.749  -7.735  -4.371
  233    HZ3  TRP  27          3HZ       TRP  27  -8.848  -9.891  -0.772
  234    HH2  TRP  27           HH       TRP  27 -10.475  -8.696  -2.205
  235    H    GLU  28           H        GLU  28  -1.262  -9.060  -2.930
  236    HA   GLU  28           HA       GLU  28  -0.518 -11.424  -1.670
  237    HB2  GLU  28          2HB       GLU  28   0.759 -10.258  -3.460
  238    HB3  GLU  28          1HB       GLU  28   1.267  -9.060  -2.268
  239    HG2  GLU  28          2HG       GLU  28   3.019 -10.715  -2.408
  240    HG3  GLU  28          1HG       GLU  28   2.189 -10.962  -0.877
  241    H    TRP  29           H        TRP  29  -0.190  -8.025  -0.473
  242    HA   TRP  29           HA       TRP  29   1.110  -8.801   1.947
  243    HB2  TRP  29          2HB       TRP  29  -0.670  -6.381   1.785
  244    HB3  TRP  29          1HB       TRP  29   0.757  -6.634   2.767
  245    HD1  TRP  29           HD       TRP  29  -0.185  -4.568   0.174
  246    HE1  TRP  29          1HE       TRP  29   1.684  -3.965  -1.480
  247    HE3  TRP  29          3HE       TRP  29   3.221  -8.178   1.345
  248    HZ2  TRP  29          2HZ       TRP  29   4.275  -4.863  -2.203
  249    HZ3  TRP  29          3HZ       TRP  29   5.385  -8.247   0.169
  250    HH2  TRP  29           HH       TRP  29   5.928  -6.610  -1.607
  251    H    LEU  30           H        LEU  30  -2.308  -8.342   1.075
  252    HA   LEU  30           HA       LEU  30  -3.309  -8.609   3.699
  253    HB2  LEU  30          2HB       LEU  30  -4.508  -9.058   0.978
  254    HB3  LEU  30          1HB       LEU  30  -5.425  -9.414   2.442
  255    HG   LEU  30           HG       LEU  30  -4.067  -6.752   1.925
  256   HD11  LEU  30          1HD1      LEU  30  -6.846  -7.704   1.248
  257   HD12  LEU  30          2HD1      LEU  30  -5.720  -6.774   0.256
  258   HD13  LEU  30          3HD1      LEU  30  -6.536  -6.008   1.613
  259   HD21  LEU  30          1HD2      LEU  30  -4.454  -6.707   4.195
  260   HD22  LEU  30          2HD2      LEU  30  -5.743  -7.898   4.116
  261   HD23  LEU  30          3HD2      LEU  30  -6.066  -6.225   3.681
  262    H    LYS  31           H        LYS  31  -2.688 -11.055   1.183
  263    HA   LYS  31           HA       LYS  31  -3.723 -13.238   2.640
  264    HB2  LYS  31          2HB       LYS  31  -1.592 -13.111   0.507
  265    HB3  LYS  31          1HB       LYS  31  -2.228 -14.620   1.167
  266    HG2  LYS  31          2HG       LYS  31  -4.497 -13.981   0.489
  267    HG3  LYS  31          1HG       LYS  31  -3.889 -12.451  -0.139
  268    HD2  LYS  31          2HD       LYS  31  -2.472 -13.664  -1.748
  269    HD3  LYS  31          1HD       LYS  31  -3.073 -15.200  -1.118
  270    HE2  LYS  31          2HE       LYS  31  -4.848 -13.047  -2.298
  271    HE3  LYS  31          1HE       LYS  31  -4.261 -14.446  -3.199
  272    HZ1  LYS  31          1HZ       LYS  31  -6.078 -15.451  -2.419
  273    HZ2  LYS  31          2HZ       LYS  31  -6.343 -14.279  -1.218
  274    HZ3  LYS  31          3HZ       LYS  31  -5.252 -15.551  -0.942
  275    H    SER  32           H        SER  32  -0.502 -11.803   2.493
  276    HA   SER  32           HA       SER  32   0.814 -13.702   4.127
  277    HB2  SER  32          2HB       SER  32   2.539 -11.941   4.360
  278    HB3  SER  32          1HB       SER  32   2.050 -12.173   2.686
  279    HG   SER  32           HG       SER  32   0.440 -10.392   3.876
  280    H    GLY  33           H        GLY  33  -1.307 -11.041   4.859
  281    HA2  GLY  33          2HA       GLY  33  -2.323 -10.562   6.902
  282    HA3  GLY  33          1HA       GLY  33  -1.295 -11.769   7.661
  283    H    ALA  34           H        ALA  34   0.132  -9.282   5.697
  284    HA   ALA  34           HA       ALA  34   1.776  -8.386   7.847
  285    HB1  ALA  34          1HB       ALA  34   1.375  -7.555   4.994
  286    HB2  ALA  34          2HB       ALA  34   2.820  -8.193   5.778
  287    HB3  ALA  34          3HB       ALA  34   2.314  -6.532   6.083
  288    H    THR  35           H        THR  35   1.987  -5.988   8.308
  289    HA   THR  35           HA       THR  35  -0.659  -5.006   9.094
  290    HB   THR  35           HB       THR  35   0.442  -3.689  10.688
  291    HG1  THR  35          1HG       THR  35   2.987  -3.834  10.134
  292   HG21  THR  35          1HG2      THR  35   0.846  -6.249  10.846
  293   HG22  THR  35          2HG2      THR  35   1.839  -5.194  11.851
  294   HG23  THR  35          3HG2      THR  35   2.499  -5.864  10.362
  295    H    TYR  36           H        TYR  36  -1.376  -2.902   8.617
  296    HA   TYR  36           HA       TYR  36  -1.018  -2.043   5.964
  297    HB2  TYR  36          2HB       TYR  36  -2.050  -0.383   8.273
  298    HB3  TYR  36          1HB       TYR  36  -2.394  -0.144   6.561
  299    HD1  TYR  36          1HD       TYR  36  -3.165  -2.586   5.418
  300    HD2  TYR  36          2HD       TYR  36  -3.800  -1.285   9.457
  301    HE1  TYR  36          1HE       TYR  36  -5.081  -4.142   5.611
  302    HE2  TYR  36          2HE       TYR  36  -5.709  -2.843   9.654
  303    HH   TYR  36           HH       TYR  36  -6.971  -4.315   8.630
  304    H    GLU  37           H        GLU  37   0.374  -0.862   8.991
  305    HA   GLU  37           HA       GLU  37   1.730   1.373   7.915
  306    HB2  GLU  37          2HB       GLU  37   1.332   1.046  10.333
  307    HB3  GLU  37          1HB       GLU  37   2.477  -0.304  10.330
  308    HG2  GLU  37          2HG       GLU  37   4.255   1.214   9.544
  309    HG3  GLU  37          1HG       GLU  37   3.108   2.551   9.546
  310    H    GLN  38           H        GLN  38   2.909  -1.925   8.642
  311    HA   GLN  38           HA       GLN  38   5.514  -1.519   7.739
  312    HB2  GLN  38          2HB       GLN  38   4.896  -3.463   9.018
  313    HB3  GLN  38          1HB       GLN  38   3.826  -4.025   7.733
  314    HG2  GLN  38          2HG       GLN  38   5.709  -4.334   6.233
  315    HG3  GLN  38          1HG       GLN  38   6.806  -3.595   7.399
  316   HE21  GLN  38          1HE2      GLN  38   5.178  -6.587   6.548
  317   HE22  GLN  38          2HE2      GLN  38   5.840  -7.513   7.809
  318    H    ILE  39           H        ILE  39   2.607  -2.507   5.956
  319    HA   ILE  39           HA       ILE  39   3.877  -3.045   3.503
  320    HB   ILE  39           HB       ILE  39   1.032  -2.213   4.101
  321   HG12  ILE  39          2HG1      ILE  39   2.103  -4.943   3.394
  322   HG13  ILE  39          1HG1      ILE  39   2.110  -4.391   5.058
  323   HG21  ILE  39          1HG2      ILE  39   2.273  -3.468   1.605
  324   HG22  ILE  39          2HG2      ILE  39   1.596  -1.834   1.708
  325   HG23  ILE  39          3HG2      ILE  39   0.542  -3.234   1.883
  326   HD11  ILE  39          1HD1      ILE  39   0.033  -5.614   4.696
  327   HD12  ILE  39          2HD1      ILE  39  -0.317  -4.667   3.254
  328   HD13  ILE  39          3HD1      ILE  39  -0.363  -3.907   4.835
  329    H    LYS  40           H        LYS  40   2.361   0.057   4.705
  330    HA   LYS  40           HA       LYS  40   2.983   1.299   2.205
  331    HB2  LYS  40          2HB       LYS  40   2.812   3.512   3.335
  332    HB3  LYS  40          1HB       LYS  40   1.349   2.504   3.447
  333    HG2  LYS  40          2HG       LYS  40   1.762   1.957   5.715
  334    HG3  LYS  40          1HG       LYS  40   3.440   2.520   5.633
  335    HD2  LYS  40          2HD       LYS  40   2.599   4.843   5.272
  336    HD3  LYS  40          1HD       LYS  40   0.949   4.255   5.440
  337    HE2  LYS  40          2HE       LYS  40   1.302   3.635   7.726
  338    HE3  LYS  40          1HE       LYS  40   3.044   3.877   7.591
  339    HZ1  LYS  40          1HZ       LYS  40   1.530   6.205   6.856
  340    HZ2  LYS  40          2HZ       LYS  40   2.832   6.058   7.942
  341    HZ3  LYS  40          3HZ       LYS  40   1.248   5.728   8.460
  342    H    GLU  41           H        GLU  41   4.734   0.794   5.206
  343    HA   GLU  41           HA       GLU  41   6.784   2.593   4.807
  344    HB2  GLU  41          2HB       GLU  41   6.520   1.247   6.863
  345    HB3  GLU  41          1HB       GLU  41   7.022  -0.190   5.966
  346    HG2  GLU  41          2HG       GLU  41   9.203   0.856   5.490
  347    HG3  GLU  41          1HG       GLU  41   8.701   2.311   6.348
  348    H    TRP  42           H        TRP  42   6.521  -0.780   3.722
  349    HA   TRP  42           HA       TRP  42   8.987  -0.886   2.364
  350    HB2  TRP  42          2HB       TRP  42   6.372  -2.288   1.747
  351    HB3  TRP  42          1HB       TRP  42   7.908  -2.693   1.002
  352    HD1  TRP  42           HD       TRP  42   9.558  -2.432   3.911
  353    HE1  TRP  42          1HE       TRP  42   9.317  -4.429   5.512
  354    HE3  TRP  42          3HE       TRP  42   5.298  -4.562   2.058
  355    HZ2  TRP  42          2HZ       TRP  42   7.565  -6.617   5.970
  356    HZ3  TRP  42          3HZ       TRP  42   4.363  -6.614   3.100
  357    HH2  TRP  42           HH       TRP  42   5.498  -7.647   5.057
  358    H    ILE  43           H        ILE  43   5.753   0.052   1.318
  359    HA   ILE  43           HA       ILE  43   6.375   0.420  -1.404
  360    HB   ILE  43           HB       ILE  43   4.200   1.621   0.310
  361   HG12  ILE  43          2HG1      ILE  43   4.119  -0.553  -1.801
  362   HG13  ILE  43          1HG1      ILE  43   4.276  -0.878  -0.072
  363   HG21  ILE  43          1HG2      ILE  43   4.681   1.746  -2.673
  364   HG22  ILE  43          2HG2      ILE  43   4.458   3.097  -1.562
  365   HG23  ILE  43          3HG2      ILE  43   3.103   2.024  -1.936
  366   HD11  ILE  43          1HD1      ILE  43   1.896  -0.945  -1.052
  367   HD12  ILE  43          2HD1      ILE  43   2.024   0.811  -1.178
  368   HD13  ILE  43          3HD1      ILE  43   2.127   0.032   0.401
  369    H    GLU  44           H        GLU  44   6.325   2.817   1.242
  370    HA   GLU  44           HA       GLU  44   6.934   4.933  -0.503
  371    HB2  GLU  44          2HB       GLU  44   7.231   6.329   1.450
  372    HB3  GLU  44          1HB       GLU  44   5.799   5.314   1.649
  373    HG2  GLU  44          2HG       GLU  44   6.617   4.476   3.577
  374    HG3  GLU  44          1HG       GLU  44   8.052   3.912   2.749
  375    H    ASN  45           H        ASN  45   8.972   2.672   1.350
  376    HA   ASN  45           HA       ASN  45  11.417   4.056   0.927
  377    HB2  ASN  45          2HB       ASN  45  11.229   2.223   2.549
  378    HB3  ASN  45          1HB       ASN  45  10.901   1.080   1.247
  379   HD21  ASN  45          1HD2      ASN  45  12.814  -0.178   1.406
  380   HD22  ASN  45          2HD2      ASN  45  14.364   0.461   1.150
  381    H    ALA  46           H        ALA  46   9.695   1.583  -0.978
  382    HA   ALA  46           HA       ALA  46  11.650   1.329  -3.008
  383    HB1  ALA  46          1HB       ALA  46   8.661   0.998  -3.301
  384    HB2  ALA  46          2HB       ALA  46   9.736  -0.236  -2.649
  385    HB3  ALA  46          3HB       ALA  46   9.917   0.292  -4.321
  386    H    LEU  47           H        LEU  47   8.809   3.420  -2.691
  387    HA   LEU  47           HA       LEU  47   8.862   4.621  -5.195
  388    HB2  LEU  47          2HB       LEU  47   7.220   4.787  -3.136
  389    HB3  LEU  47          1HB       LEU  47   8.196   6.185  -2.724
  390    HG   LEU  47           HG       LEU  47   6.401   7.047  -3.994
  391   HD11  LEU  47          1HD1      LEU  47   7.437   8.039  -5.895
  392   HD12  LEU  47          2HD1      LEU  47   8.564   6.697  -6.083
  393   HD13  LEU  47          3HD1      LEU  47   8.719   7.792  -4.709
  394   HD21  LEU  47          1HD2      LEU  47   6.901   5.094  -6.248
  395   HD22  LEU  47          2HD2      LEU  47   5.482   6.095  -5.944
  396   HD23  LEU  47          3HD2      LEU  47   5.807   4.706  -4.916
  397    H    GLY  48           H        GLY  48  10.530   5.565  -2.168
  398    HA2  GLY  48          2HA       GLY  48  11.733   7.904  -3.205
  399    HA3  GLY  48          1HA       GLY  48  12.291   6.992  -1.799
  400    H    TRP  49           H        TRP  49  12.818   4.536  -3.009
  401    HA   TRP  49           HA       TRP  49  15.414   4.956  -4.034
  402    HB2  TRP  49          2HB       TRP  49  14.965   2.908  -2.903
  403    HB3  TRP  49          1HB       TRP  49  13.615   2.528  -3.973
  404    HD1  TRP  49           HD       TRP  49  14.160   1.168  -6.102
  405    HE1  TRP  49          1HE       TRP  49  16.333   0.362  -7.236
  406    HE3  TRP  49          3HE       TRP  49  17.608   3.689  -3.299
  407    HZ2  TRP  49          2HZ       TRP  49  19.161   0.748  -6.990
  408    HZ3  TRP  49          3HZ       TRP  49  20.030   3.459  -3.775
  409    HH2  TRP  49           HH       TRP  49  20.811   1.992  -5.615
  410    H    ARG  50           H        ARG  50  12.325   4.187  -5.604
  411    HA   ARG  50           HA       ARG  50  13.565   4.202  -8.243
  412    HB2  ARG  50          2HB       ARG  50  11.777   2.573  -7.672
  413    HB3  ARG  50          1HB       ARG  50  10.658   3.918  -7.452
  414    HG2  ARG  50          2HG       ARG  50  11.036   4.613  -9.790
  415    HG3  ARG  50          1HG       ARG  50  12.136   3.252 -10.008
  416    HD2  ARG  50          2HD       ARG  50  10.260   1.707  -9.394
  417    HD3  ARG  50          1HD       ARG  50   9.179   3.096  -9.369
  418    HE   ARG  50           HE       ARG  50  10.653   2.868 -11.828
  419   HH11  ARG  50          1HH1      ARG  50   9.461   2.305 -13.652
  420   HH12  ARG  50          2HH1      ARG  50   7.865   1.658 -13.477
  421   HH21  ARG  50          1HH2      ARG  50   7.910   1.823 -10.005
  422   HH22  ARG  50          2HH2      ARG  50   6.979   1.382 -11.398
  Start of MODEL    5
    1    H    FME   1           H        FME   1 -11.112  -5.406   0.105
    2    HCN  FME   1           HF       FME   1 -12.272  -5.838   2.083
    3    HA   FME   1           HA       FME   1  -8.908  -4.479   1.732
    4    HB2  FME   1          1HB       FME   1  -8.509  -5.634  -0.404
    5    HB3  FME   1          2HB       FME   1  -7.825  -4.009  -0.422
    6    HG2  FME   1          1HG       FME   1  -9.445  -3.202  -1.885
    7    HG3  FME   1          2HG       FME   1 -10.632  -4.417  -1.405
    8    HE1  FME   1          1HE       FME   1  -7.782  -3.334  -3.486
    9    HE2  FME   1          2HE       FME   1  -9.227  -3.413  -4.494
   10    HE3  FME   1          3HE       FME   1  -7.841  -4.433  -4.872
   11    H    ALA   2           H        ALA   2 -11.783  -3.137   1.161
   12    HA   ALA   2           HA       ALA   2 -11.233  -0.559   0.160
   13    HB1  ALA   2          1HB       ALA   2 -13.398  -1.466   2.071
   14    HB2  ALA   2          2HB       ALA   2 -13.504  -1.450   0.309
   15    HB3  ALA   2          3HB       ALA   2 -13.385   0.066   1.199
   16    H    GLY   3           H        GLY   3 -11.231  -1.852   3.466
   17    HA2  GLY   3          2HA       GLY   3 -10.830   0.583   4.829
   18    HA3  GLY   3          1HA       GLY   3 -10.379  -1.008   5.428
   19    H    LEU   4           H        LEU   4  -8.537  -1.769   3.492
   20    HA   LEU   4           HA       LEU   4  -6.162  -0.573   4.421
   21    HB2  LEU   4          2HB       LEU   4  -6.129  -2.823   3.613
   22    HB3  LEU   4          1HB       LEU   4  -6.773  -2.351   2.050
   23    HG   LEU   4           HG       LEU   4  -4.295  -2.870   2.098
   24   HD11  LEU   4          1HD1      LEU   4  -4.351  -0.032   1.260
   25   HD12  LEU   4          2HD1      LEU   4  -5.634  -1.030   0.585
   26   HD13  LEU   4          3HD1      LEU   4  -3.950  -1.480   0.346
   27   HD21  LEU   4          1HD2      LEU   4  -4.107  -1.559   4.380
   28   HD22  LEU   4          2HD2      LEU   4  -3.845  -0.170   3.326
   29   HD23  LEU   4          3HD2      LEU   4  -2.761  -1.555   3.242
   30    H    LEU   5           H        LEU   5  -8.027  -0.110   1.438
   31    HA   LEU   5           HA       LEU   5  -6.226   1.676   0.192
   32    HB2  LEU   5          2HB       LEU   5  -9.214   1.328  -0.074
   33    HB3  LEU   5          1HB       LEU   5  -8.269   2.403  -1.100
   34    HG   LEU   5           HG       LEU   5  -7.708  -0.560  -0.782
   35   HD11  LEU   5          1HD1      LEU   5  -8.736  -0.797  -3.013
   36   HD12  LEU   5          2HD1      LEU   5  -9.158   0.916  -3.002
   37   HD13  LEU   5          3HD1      LEU   5  -9.904  -0.185  -1.842
   38   HD21  LEU   5          1HD2      LEU   5  -6.533   1.684  -2.399
   39   HD22  LEU   5          2HD2      LEU   5  -6.563   0.069  -3.101
   40   HD23  LEU   5          3HD2      LEU   5  -5.715   0.351  -1.586
   41    H    ARG   6           H        ARG   6  -9.025   2.246   2.323
   42    HA   ARG   6           HA       ARG   6  -8.982   5.056   2.200
   43    HB2  ARG   6          2HB       ARG   6 -10.840   3.743   3.183
   44    HB3  ARG   6          1HB       ARG   6  -9.808   3.313   4.541
   45    HG2  ARG   6          2HG       ARG   6  -9.988   6.233   3.954
   46    HG3  ARG   6          1HG       ARG   6 -11.479   5.487   4.518
   47    HD2  ARG   6          2HD       ARG   6 -10.311   4.603   6.492
   48    HD3  ARG   6          1HD       ARG   6  -8.798   5.304   5.925
   49    HE   ARG   6           HE       ARG   6  -9.591   7.429   6.535
   50   HH11  ARG   6          1HH1      ARG   6 -10.998   8.735   7.730
   51   HH12  ARG   6          2HH1      ARG   6 -12.512   8.099   8.277
   52   HH21  ARG   6          1HH2      ARG   6 -12.013   4.972   6.866
   53   HH22  ARG   6          2HH2      ARG   6 -13.090   5.968   7.785
   54    H    PHE   7           H        PHE   7  -7.329   2.798   4.366
   55    HA   PHE   7           HA       PHE   7  -6.103   4.677   6.055
   56    HB2  PHE   7          2HB       PHE   7  -6.228   2.215   6.440
   57    HB3  PHE   7          1HB       PHE   7  -5.018   1.994   5.178
   58    HD1  PHE   7          1HD       PHE   7  -2.705   2.701   5.501
   59    HD2  PHE   7          2HD       PHE   7  -5.643   3.204   8.591
   60    HE1  PHE   7          1HE       PHE   7  -0.898   3.083   7.153
   61    HE2  PHE   7          2HE       PHE   7  -3.837   3.591  10.245
   62    HZ   PHE   7           HZ       PHE   7  -1.466   3.522   9.529
   63    H    LEU   8           H        LEU   8  -4.919   3.159   3.047
   64    HA   LEU   8           HA       LEU   8  -2.392   4.402   3.098
   65    HB2  LEU   8          2HB       LEU   8  -4.060   3.187   0.913
   66    HB3  LEU   8          1HB       LEU   8  -2.561   4.025   0.515
   67    HG   LEU   8           HG       LEU   8  -2.798   1.744   2.507
   68   HD11  LEU   8          1HD1      LEU   8  -2.116   0.258   0.857
   69   HD12  LEU   8          2HD1      LEU   8  -1.376   1.520  -0.123
   70   HD13  LEU   8          3HD1      LEU   8  -3.131   1.350  -0.088
   71   HD21  LEU   8          1HD2      LEU   8  -0.122   1.969   1.673
   72   HD22  LEU   8          2HD2      LEU   8  -0.779   2.524   3.209
   73   HD23  LEU   8          3HD2      LEU   8  -0.643   3.642   1.864
   74    H    LEU   9           H        LEU   9  -5.475   5.405   1.688
   75    HA   LEU   9           HA       LEU   9  -4.539   7.714   0.386
   76    HB2  LEU   9          2HB       LEU   9  -6.736   6.668   0.029
   77    HB3  LEU   9          1HB       LEU   9  -7.250   7.213   1.614
   78    HG   LEU   9           HG       LEU   9  -6.783   9.569   0.911
   79   HD11  LEU   9          1HD1      LEU   9  -5.981   8.127  -1.592
   80   HD12  LEU   9          2HD1      LEU   9  -5.233   9.522  -0.815
   81   HD13  LEU   9          3HD1      LEU   9  -6.719   9.722  -1.738
   82   HD21  LEU   9          1HD2      LEU   9  -9.059   8.574   0.730
   83   HD22  LEU   9          2HD2      LEU   9  -8.691   8.087  -0.926
   84   HD23  LEU   9          3HD2      LEU   9  -8.761   9.798  -0.504
   85    H    SER  10           H        SER  10  -5.865   7.259   3.654
   86    HA   SER  10           HA       SER  10  -5.867   9.963   4.418
   87    HB2  SER  10          2HB       SER  10  -7.030   8.425   5.813
   88    HB3  SER  10          1HB       SER  10  -5.602   7.407   5.998
   89    HG   SER  10           HG       SER  10  -5.996   8.796   7.809
   90    H    LYS  11           H        LYS  11  -3.365   7.468   4.586
   91    HA   LYS  11           HA       LYS  11  -1.504   9.126   6.006
   92    HB2  LYS  11          2HB       LYS  11  -1.096   6.622   4.374
   93    HB3  LYS  11          1HB       LYS  11   0.167   7.398   5.327
   94    HG2  LYS  11          2HG       LYS  11  -2.474   6.472   6.490
   95    HG3  LYS  11          1HG       LYS  11  -1.012   5.490   6.493
   96    HD2  LYS  11          2HD       LYS  11   0.088   7.601   7.614
   97    HD3  LYS  11          1HD       LYS  11  -1.576   8.042   7.992
   98    HE2  LYS  11          2HE       LYS  11  -0.393   5.349   8.681
   99    HE3  LYS  11          1HE       LYS  11  -0.415   6.713   9.792
  100    HZ1  LYS  11          1HZ       LYS  11  -2.790   5.446   8.536
  101    HZ2  LYS  11          2HZ       LYS  11  -2.830   6.806   9.551
  102    HZ3  LYS  11          3HZ       LYS  11  -2.321   5.303  10.160
  103    H    GLY  12           H        GLY  12  -1.903   8.350   2.564
  104    HA2  GLY  12          2HA       GLY  12  -0.772  10.832   1.745
  105    HA3  GLY  12          1HA       GLY  12   0.351   9.498   1.492
  106    H    ARG  13           H        ARG  13  -0.604  10.964  -0.650
  107    HA   ARG  13           HA       ARG  13  -2.799   9.489  -1.880
  108    HB2  ARG  13          2HB       ARG  13  -1.121  11.836  -2.781
  109    HB3  ARG  13          1HB       ARG  13  -2.355  11.084  -3.794
  110    HG2  ARG  13          2HG       ARG  13  -4.061  11.550  -2.084
  111    HG3  ARG  13          1HG       ARG  13  -2.834  12.277  -1.045
  112    HD2  ARG  13          2HD       ARG  13  -2.377  13.978  -2.773
  113    HD3  ARG  13          1HD       ARG  13  -3.601  13.251  -3.811
  114    HE   ARG  13           HE       ARG  13  -5.264  14.182  -2.451
  115   HH11  ARG  13          1HH1      ARG  13  -5.934  15.631  -0.836
  116   HH12  ARG  13          2HH1      ARG  13  -4.778  16.272   0.282
  117   HH21  ARG  13          1HH2      ARG  13  -2.102  14.539  -1.088
  118   HH22  ARG  13          2HH2      ARG  13  -2.604  15.653   0.137
  119    H    ALA  14           H        ALA  14   0.686   9.785  -2.104
  120    HA   ALA  14           HA       ALA  14   1.119   8.525  -4.569
  121    HB1  ALA  14          1HB       ALA  14   3.363   8.416  -3.940
  122    HB2  ALA  14          2HB       ALA  14   2.973   8.146  -2.241
  123    HB3  ALA  14          3HB       ALA  14   2.758   9.746  -2.949
  124    H    LEU  15           H        LEU  15   1.016   7.134  -1.291
  125    HA   LEU  15           HA       LEU  15   1.531   4.475  -2.047
  126    HB2  LEU  15          2HB       LEU  15  -0.233   5.304   0.258
  127    HB3  LEU  15          1HB       LEU  15   0.782   3.875   0.117
  128    HG   LEU  15           HG       LEU  15   2.011   6.635   0.049
  129   HD11  LEU  15          1HD1      LEU  15   0.881   6.779   2.082
  130   HD12  LEU  15          2HD1      LEU  15   2.452   6.132   2.546
  131   HD13  LEU  15          3HD1      LEU  15   1.059   5.060   2.415
  132   HD21  LEU  15          1HD2      LEU  15   3.506   4.869  -0.599
  133   HD22  LEU  15          2HD2      LEU  15   2.975   3.848   0.738
  134   HD23  LEU  15          3HD2      LEU  15   3.915   5.303   1.061
  135    H    TYR  16           H        TYR  16  -1.474   6.331  -1.752
  136    HA   TYR  16           HA       TYR  16  -3.286   4.217  -2.163
  137    HB2  TYR  16          2HB       TYR  16  -4.098   6.337  -1.377
  138    HB3  TYR  16          1HB       TYR  16  -3.505   7.162  -2.819
  139    HD1  TYR  16          1HD       TYR  16  -4.787   7.221  -4.814
  140    HD2  TYR  16          2HD       TYR  16  -5.920   4.588  -1.617
  141    HE1  TYR  16          1HE       TYR  16  -6.921   6.728  -5.977
  142    HE2  TYR  16          2HE       TYR  16  -8.055   4.093  -2.779
  143    HH   TYR  16           HH       TYR  16  -9.385   5.872  -5.010
  144    H    ASN  17           H        ASN  17  -1.765   6.453  -4.474
  145    HA   ASN  17           HA       ASN  17  -3.032   5.468  -6.784
  146    HB2  ASN  17          2HB       ASN  17  -1.810   7.577  -6.797
  147    HB3  ASN  17          1HB       ASN  17  -0.301   6.730  -6.461
  148   HD21  ASN  17          1HD2      ASN  17  -0.127   8.151  -8.738
  149   HD22  ASN  17          2HD2      ASN  17  -0.323   7.184 -10.118
  150    H    TRP  18           H        TRP  18  -0.030   4.558  -5.168
  151    HA   TRP  18           HA       TRP  18   0.933   2.689  -7.012
  152    HB2  TRP  18          2HB       TRP  18   2.398   3.377  -5.289
  153    HB3  TRP  18          1HB       TRP  18   1.230   3.002  -4.027
  154    HD1  TRP  18           HD       TRP  18   1.000   0.516  -3.239
  155    HE1  TRP  18          1HE       TRP  18   2.464  -1.576  -3.600
  156    HE3  TRP  18          3HE       TRP  18   3.972   2.160  -7.061
  157    HZ2  TRP  18          2HZ       TRP  18   4.614  -2.437  -5.280
  158    HZ3  TRP  18          3HZ       TRP  18   5.718   0.685  -8.018
  159    HH2  TRP  18           HH       TRP  18   6.042  -1.609  -7.135
  160    H    ALA  19           H        ALA  19  -1.194   2.225  -4.191
  161    HA   ALA  19           HA       ALA  19  -1.483  -0.566  -4.423
  162    HB1  ALA  19          1HB       ALA  19  -3.177  -0.375  -2.823
  163    HB2  ALA  19          2HB       ALA  19  -3.690   1.205  -3.413
  164    HB3  ALA  19          3HB       ALA  19  -2.185   1.048  -2.509
  165    H    LYS  20           H        LYS  20  -3.376   2.107  -5.781
  166    HA   LYS  20           HA       LYS  20  -5.398   0.521  -6.965
  167    HB2  LYS  20          2HB       LYS  20  -5.572   2.973  -6.638
  168    HB3  LYS  20          1HB       LYS  20  -4.350   3.208  -7.888
  169    HG2  LYS  20          2HG       LYS  20  -5.785   2.117  -9.541
  170    HG3  LYS  20          1HG       LYS  20  -6.992   1.778  -8.301
  171    HD2  LYS  20          2HD       LYS  20  -7.273   4.207  -7.920
  172    HD3  LYS  20          1HD       LYS  20  -6.093   4.535  -9.190
  173    HE2  LYS  20          2HE       LYS  20  -8.662   2.978  -9.609
  174    HE3  LYS  20          1HE       LYS  20  -8.460   4.689  -9.990
  175    HZ1  LYS  20          1HZ       LYS  20  -7.338   2.343 -11.319
  176    HZ2  LYS  20          2HZ       LYS  20  -6.376   3.742 -11.263
  177    HZ3  LYS  20          3HZ       LYS  20  -7.915   3.793 -11.984
  178    H    SER  21           H        SER  21  -2.331   1.772  -8.241
  179    HA   SER  21           HA       SER  21  -2.635   0.857 -10.877
  180    HB2  SER  21          2HB       SER  21  -0.938   2.502 -10.216
  181    HB3  SER  21          1HB       SER  21  -0.098   1.268  -9.283
  182    HG   SER  21           HG       SER  21   0.896   1.022 -11.144
  183    H    HIS  22           H        HIS  22  -1.192  -0.737  -8.019
  184    HA   HIS  22           HA       HIS  22  -1.093  -3.256  -9.583
  185    HB2  HIS  22          2HB       HIS  22   1.118  -2.103  -8.742
  186    HB3  HIS  22          1HB       HIS  22   0.642  -2.766  -7.181
  187    HD1  HIS  22          1HD       HIS  22   3.152  -3.897  -8.484
  188    HD2  HIS  22          2HD       HIS  22  -0.641  -5.496  -9.137
  189    HE1  HIS  22          1HE       HIS  22   3.504  -6.282  -9.253
  190    HE2  HIS  22          2HE       HIS  22   1.200  -7.273  -9.649
  191    H    VAL  23           H        VAL  23  -3.208  -3.781  -8.939
  192    HA   VAL  23           HA       VAL  23  -4.037  -3.826  -6.238
  193    HB   VAL  23           HB       VAL  23  -5.870  -5.335  -7.087
  194   HG11  VAL  23          1HG1      VAL  23  -5.185  -2.727  -8.426
  195   HG12  VAL  23          2HG1      VAL  23  -6.434  -3.061  -7.225
  196   HG13  VAL  23          3HG1      VAL  23  -6.641  -3.605  -8.890
  197   HG21  VAL  23          1HG2      VAL  23  -4.315  -5.026  -9.672
  198   HG22  VAL  23          2HG2      VAL  23  -5.948  -5.676  -9.562
  199   HG23  VAL  23          3HG2      VAL  23  -4.607  -6.531  -8.800
  200    H    GLY  24           H        GLY  24  -2.120  -5.924  -8.177
  201    HA2  GLY  24          2HA       GLY  24  -2.466  -8.372  -6.809
  202    HA3  GLY  24          1HA       GLY  24  -1.035  -7.907  -7.733
  203    H    LYS  25           H        LYS  25  -0.302  -5.611  -6.262
  204    HA   LYS  25           HA       LYS  25   1.230  -6.751  -4.189
  205    HB2  LYS  25          2HB       LYS  25   0.484  -3.865  -4.729
  206    HB3  LYS  25          1HB       LYS  25   1.704  -4.370  -3.566
  207    HG2  LYS  25          2HG       LYS  25   1.857  -5.266  -6.441
  208    HG3  LYS  25          1HG       LYS  25   2.480  -3.693  -5.960
  209    HD2  LYS  25          2HD       LYS  25   3.945  -4.806  -4.288
  210    HD3  LYS  25          1HD       LYS  25   3.359  -6.373  -4.834
  211    HE2  LYS  25          2HE       LYS  25   4.191  -5.917  -7.099
  212    HE3  LYS  25          1HE       LYS  25   4.780  -4.343  -6.569
  213    HZ1  LYS  25          1HZ       LYS  25   5.627  -6.630  -4.991
  214    HZ2  LYS  25          2HZ       LYS  25   6.500  -5.251  -5.469
  215    HZ3  LYS  25          3HZ       LYS  25   6.269  -6.533  -6.559
  216    H    VAL  26           H        VAL  26  -1.819  -4.989  -4.200
  217    HA   VAL  26           HA       VAL  26  -2.187  -4.730  -1.424
  218    HB   VAL  26           HB       VAL  26  -4.141  -4.952  -3.710
  219   HG11  VAL  26          1HG1      VAL  26  -5.422  -5.603  -1.827
  220   HG12  VAL  26          2HG1      VAL  26  -5.709  -3.870  -1.972
  221   HG13  VAL  26          3HG1      VAL  26  -4.580  -4.478  -0.762
  222   HG21  VAL  26          1HG2      VAL  26  -4.388  -2.484  -3.140
  223   HG22  VAL  26          2HG2      VAL  26  -2.836  -2.946  -3.839
  224   HG23  VAL  26          3HG2      VAL  26  -2.974  -2.672  -2.101
  225    H    TRP  27           H        TRP  27  -3.223  -7.219  -3.712
  226    HA   TRP  27           HA       TRP  27  -4.557  -8.873  -1.851
  227    HB2  TRP  27          2HB       TRP  27  -3.270  -9.457  -4.516
  228    HB3  TRP  27          1HB       TRP  27  -4.081 -10.705  -3.570
  229    HD1  TRP  27           HD       TRP  27  -4.773  -8.230  -6.149
  230    HE1  TRP  27          1HE       TRP  27  -7.294  -7.731  -6.330
  231    HE3  TRP  27          3HE       TRP  27  -6.418 -10.383  -1.816
  232    HZ2  TRP  27          2HZ       TRP  27  -9.690  -8.181  -4.840
  233    HZ3  TRP  27          3HZ       TRP  27  -8.827 -10.330  -1.224
  234    HH2  TRP  27           HH       TRP  27 -10.463  -9.233  -2.730
  235    H    GLU  28           H        GLU  28  -1.212  -8.854  -2.988
  236    HA   GLU  28           HA       GLU  28  -0.289 -11.142  -1.707
  237    HB2  GLU  28          2HB       GLU  28   0.970  -9.824  -3.412
  238    HB3  GLU  28          1HB       GLU  28   1.262  -8.590  -2.189
  239    HG2  GLU  28          2HG       GLU  28   3.203 -10.005  -2.227
  240    HG3  GLU  28          1HG       GLU  28   2.317 -10.396  -0.754
  241    H    TRP  29           H        TRP  29  -0.350  -7.743  -0.501
  242    HA   TRP  29           HA       TRP  29   0.864  -8.448   1.981
  243    HB2  TRP  29          2HB       TRP  29  -1.048  -6.149   1.743
  244    HB3  TRP  29          1HB       TRP  29   0.346  -6.322   2.792
  245    HD1  TRP  29           HD       TRP  29  -0.601  -4.323   0.132
  246    HE1  TRP  29          1HE       TRP  29   1.328  -3.595  -1.397
  247    HE3  TRP  29          3HE       TRP  29   2.967  -7.707   1.532
  248    HZ2  TRP  29          2HZ       TRP  29   4.020  -4.319  -1.946
  249    HZ3  TRP  29          3HZ       TRP  29   5.201  -7.633   0.492
  250    HH2  TRP  29           HH       TRP  29   5.741  -5.957  -1.242
  251    H    LEU  30           H        LEU  30  -2.523  -8.275   0.930
  252    HA   LEU  30           HA       LEU  30  -3.645  -8.613   3.503
  253    HB2  LEU  30          2HB       LEU  30  -4.618  -8.964   0.713
  254    HB3  LEU  30          1HB       LEU  30  -5.534  -9.787   1.969
  255    HG   LEU  30           HG       LEU  30  -6.454  -7.549   1.514
  256   HD11  LEU  30          1HD1      LEU  30  -6.114  -8.650   3.948
  257   HD12  LEU  30          2HD1      LEU  30  -6.922  -7.103   3.705
  258   HD13  LEU  30          3HD1      LEU  30  -5.233  -7.141   4.204
  259   HD21  LEU  30          1HD2      LEU  30  -3.643  -6.653   2.145
  260   HD22  LEU  30          2HD2      LEU  30  -5.013  -5.578   2.397
  261   HD23  LEU  30          3HD2      LEU  30  -4.674  -6.203   0.791
  262    H    LYS  31           H        LYS  31  -2.630 -10.999   1.077
  263    HA   LYS  31           HA       LYS  31  -3.480 -13.299   2.482
  264    HB2  LYS  31          2HB       LYS  31  -2.793 -13.280   0.080
  265    HB3  LYS  31          1HB       LYS  31  -1.126 -13.041   0.596
  266    HG2  LYS  31          2HG       LYS  31  -1.145 -15.165   1.800
  267    HG3  LYS  31          1HG       LYS  31  -2.854 -15.392   1.428
  268    HD2  LYS  31          2HD       LYS  31  -1.781 -16.705  -0.206
  269    HD3  LYS  31          1HD       LYS  31  -2.104 -15.198  -1.062
  270    HE2  LYS  31          2HE       LYS  31   0.223 -16.018  -1.419
  271    HE3  LYS  31          1HE       LYS  31   0.184 -14.436  -0.649
  272    HZ1  LYS  31          1HZ       LYS  31   1.407 -16.732   0.290
  273    HZ2  LYS  31          2HZ       LYS  31   0.066 -16.478   1.303
  274    HZ3  LYS  31          3HZ       LYS  31   1.231 -15.257   1.107
  275    H    SER  32           H        SER  32  -0.415 -11.526   2.438
  276    HA   SER  32           HA       SER  32   1.023 -13.242   4.165
  277    HB2  SER  32          2HB       SER  32   1.374 -10.286   3.626
  278    HB3  SER  32          1HB       SER  32   2.541 -11.304   4.464
  279    HG   SER  32           HG       SER  32   2.181 -10.978   1.842
  280    H    GLY  33           H        GLY  33  -1.080 -10.476   4.769
  281    HA2  GLY  33          2HA       GLY  33  -2.343 -10.188   6.753
  282    HA3  GLY  33          1HA       GLY  33  -1.208 -11.236   7.602
  283    H    ALA  34           H        ALA  34   0.255  -8.923   5.561
  284    HA   ALA  34           HA       ALA  34   1.611  -7.619   7.687
  285    HB1  ALA  34          1HB       ALA  34   1.326  -7.010   4.743
  286    HB2  ALA  34          2HB       ALA  34   2.727  -7.662   5.592
  287    HB3  ALA  34          3HB       ALA  34   2.259  -5.977   5.824
  288    H    THR  35           H        THR  35   1.472  -5.376   8.302
  289    HA   THR  35           HA       THR  35  -1.286  -4.495   8.549
  290    HB   THR  35           HB       THR  35  -0.349  -2.808  10.076
  291    HG1  THR  35          1HG       THR  35   1.693  -2.334   9.988
  292   HG21  THR  35          1HG2      THR  35   0.783  -5.596  10.438
  293   HG22  THR  35          2HG2      THR  35  -0.821  -5.054  10.934
  294   HG23  THR  35          3HG2      THR  35   0.615  -4.399  11.721
  295    H    TYR  36           H        TYR  36  -1.887  -2.234   8.137
  296    HA   TYR  36           HA       TYR  36  -1.401  -1.438   5.482
  297    HB2  TYR  36          2HB       TYR  36  -2.240   0.509   7.606
  298    HB3  TYR  36          1HB       TYR  36  -2.802   0.373   5.942
  299    HD1  TYR  36          1HD       TYR  36  -3.142  -2.759   6.072
  300    HD2  TYR  36          2HD       TYR  36  -4.463   0.470   8.593
  301    HE1  TYR  36          1HE       TYR  36  -5.052  -4.125   6.828
  302    HE2  TYR  36          2HE       TYR  36  -6.377  -0.914   9.347
  303    HH   TYR  36           HH       TYR  36  -7.260  -3.822   7.767
  304    H    GLU  37           H        GLU  37  -0.017  -0.406   8.543
  305    HA   GLU  37           HA       GLU  37   1.511   1.750   7.586
  306    HB2  GLU  37          2HB       GLU  37   1.826  -0.046   9.991
  307    HB3  GLU  37          1HB       GLU  37   2.836   1.371   9.705
  308    HG2  GLU  37          2HG       GLU  37   0.843   2.806   9.676
  309    HG3  GLU  37          1HG       GLU  37  -0.189   1.393   9.910
  310    H    GLN  38           H        GLN  38   2.382  -1.650   8.155
  311    HA   GLN  38           HA       GLN  38   5.080  -1.415   7.404
  312    HB2  GLN  38          2HB       GLN  38   4.110  -3.320   8.624
  313    HB3  GLN  38          1HB       GLN  38   3.277  -3.833   7.158
  314    HG2  GLN  38          2HG       GLN  38   5.448  -4.028   6.003
  315    HG3  GLN  38          1HG       GLN  38   6.279  -3.540   7.476
  316   HE21  GLN  38          1HE2      GLN  38   7.045  -5.299   8.678
  317   HE22  GLN  38          2HE2      GLN  38   6.349  -6.848   8.677
  318    H    ILE  39           H        ILE  39   2.158  -2.101   5.518
  319    HA   ILE  39           HA       ILE  39   3.453  -2.721   3.090
  320    HB   ILE  39           HB       ILE  39   0.711  -1.545   3.591
  321   HG12  ILE  39          2HG1      ILE  39   1.491  -4.361   2.822
  322   HG13  ILE  39          1HG1      ILE  39   1.362  -3.875   4.506
  323   HG21  ILE  39          1HG2      ILE  39   1.328  -1.108   1.300
  324   HG22  ILE  39          2HG2      ILE  39   0.295  -2.531   1.281
  325   HG23  ILE  39          3HG2      ILE  39   2.048  -2.710   1.125
  326   HD11  ILE  39          1HD1      ILE  39  -0.786  -4.751   3.997
  327   HD12  ILE  39          2HD1      ILE  39  -0.815  -3.972   2.416
  328   HD13  ILE  39          3HD1      ILE  39  -1.005  -3.011   3.875
  329    H    LYS  40           H        LYS  40   2.223   0.487   4.339
  330    HA   LYS  40           HA       LYS  40   3.052   1.766   1.908
  331    HB2  LYS  40          2HB       LYS  40   2.970   3.930   3.025
  332    HB3  LYS  40          1HB       LYS  40   1.471   2.992   3.296
  333    HG2  LYS  40          2HG       LYS  40   2.261   2.328   5.514
  334    HG3  LYS  40          1HG       LYS  40   3.793   3.164   5.250
  335    HD2  LYS  40          2HD       LYS  40   2.483   5.284   4.889
  336    HD3  LYS  40          1HD       LYS  40   1.037   4.411   5.395
  337    HE2  LYS  40          2HE       LYS  40   2.011   3.972   7.580
  338    HE3  LYS  40          1HE       LYS  40   3.540   4.696   7.080
  339    HZ1  LYS  40          1HZ       LYS  40   1.707   6.057   8.364
  340    HZ2  LYS  40          2HZ       LYS  40   1.118   6.297   6.790
  341    HZ3  LYS  40          3HZ       LYS  40   2.697   6.781   7.191
  342    H    GLU  41           H        GLU  41   4.643   1.056   4.980
  343    HA   GLU  41           HA       GLU  41   6.864   2.686   4.694
  344    HB2  GLU  41          2HB       GLU  41   6.367   1.351   6.697
  345    HB3  GLU  41          1HB       GLU  41   6.806  -0.106   5.804
  346    HG2  GLU  41          2HG       GLU  41   9.061   0.773   5.439
  347    HG3  GLU  41          1HG       GLU  41   8.633   2.257   6.286
  348    H    TRP  42           H        TRP  42   6.349  -0.653   3.518
  349    HA   TRP  42           HA       TRP  42   8.883  -0.880   2.273
  350    HB2  TRP  42          2HB       TRP  42   6.254  -2.202   1.576
  351    HB3  TRP  42          1HB       TRP  42   7.795  -2.635   0.854
  352    HD1  TRP  42           HD       TRP  42   9.543  -2.545   3.610
  353    HE1  TRP  42          1HE       TRP  42   9.223  -4.452   5.282
  354    HE3  TRP  42          3HE       TRP  42   4.958  -4.273   2.135
  355    HZ2  TRP  42          2HZ       TRP  42   7.311  -6.451   5.925
  356    HZ3  TRP  42          3HZ       TRP  42   3.916  -6.195   3.305
  357    HH2  TRP  42           HH       TRP  42   5.094  -7.285   5.199
  358    H    ILE  43           H        ILE  43   5.764   0.234   1.089
  359    HA   ILE  43           HA       ILE  43   6.528   0.550  -1.605
  360    HB   ILE  43           HB       ILE  43   4.399   1.907   0.047
  361   HG12  ILE  43          2HG1      ILE  43   4.139  -0.154  -2.154
  362   HG13  ILE  43          1HG1      ILE  43   4.279  -0.591  -0.450
  363   HG21  ILE  43          1HG2      ILE  43   4.951   2.066  -2.928
  364   HG22  ILE  43          2HG2      ILE  43   4.884   3.412  -1.786
  365   HG23  ILE  43          3HG2      ILE  43   3.416   2.523  -2.194
  366   HD11  ILE  43          1HD1      ILE  43   2.197   1.348  -1.482
  367   HD12  ILE  43          2HD1      ILE  43   2.265   0.588   0.104
  368   HD13  ILE  43          3HD1      ILE  43   1.894  -0.383  -1.321
  369    H    GLU  44           H        GLU  44   6.566   2.933   1.054
  370    HA   GLU  44           HA       GLU  44   7.439   4.999  -0.643
  371    HB2  GLU  44          2HB       GLU  44   7.664   6.359   1.316
  372    HB3  GLU  44          1HB       GLU  44   6.174   5.412   1.440
  373    HG2  GLU  44          2HG       GLU  44   6.847   4.513   3.387
  374    HG3  GLU  44          1HG       GLU  44   8.333   3.916   2.664
  375    H    ASN  45           H        ASN  45   9.198   2.612   1.339
  376    HA   ASN  45           HA       ASN  45  11.750   3.803   1.095
  377    HB2  ASN  45          2HB       ASN  45  11.266   1.984   2.686
  378    HB3  ASN  45          1HB       ASN  45  10.974   0.883   1.342
  379   HD21  ASN  45          1HD2      ASN  45  12.778  -0.532   1.791
  380   HD22  ASN  45          2HD2      ASN  45  14.389  -0.018   1.650
  381    H    ALA  46           H        ALA  46   9.961   1.467  -0.950
  382    HA   ALA  46           HA       ALA  46  12.057   1.011  -2.808
  383    HB1  ALA  46          1HB       ALA  46   9.095   0.873  -3.392
  384    HB2  ALA  46          2HB       ALA  46   9.959  -0.383  -2.505
  385    HB3  ALA  46          3HB       ALA  46  10.394  -0.026  -4.176
  386    H    LEU  47           H        LEU  47   9.376   3.324  -2.706
  387    HA   LEU  47           HA       LEU  47   9.724   4.473  -5.234
  388    HB2  LEU  47          2HB       LEU  47   7.886   4.786  -3.398
  389    HB3  LEU  47          1HB       LEU  47   8.924   6.093  -2.837
  390    HG   LEU  47           HG       LEU  47   7.936   5.825  -5.690
  391   HD11  LEU  47          1HD1      LEU  47   6.055   6.209  -4.154
  392   HD12  LEU  47          2HD1      LEU  47   6.378   7.660  -5.103
  393   HD13  LEU  47          3HD1      LEU  47   6.913   7.567  -3.426
  394   HD21  LEU  47          1HD2      LEU  47   9.751   7.231  -5.903
  395   HD22  LEU  47          2HD2      LEU  47   9.698   7.744  -4.217
  396   HD23  LEU  47          3HD2      LEU  47   8.572   8.435  -5.385
  397    H    GLY  48           H        GLY  48  11.176   5.343  -2.067
  398    HA2  GLY  48          2HA       GLY  48  12.628   7.584  -2.981
  399    HA3  GLY  48          1HA       GLY  48  13.001   6.636  -1.544
  400    H    TRP  49           H        TRP  49  13.525   4.143  -2.697
  401    HA   TRP  49           HA       TRP  49  16.195   4.597  -3.707
  402    HB2  TRP  49          2HB       TRP  49  15.942   2.771  -2.184
  403    HB3  TRP  49          1HB       TRP  49  14.608   2.090  -3.115
  404    HD1  TRP  49           HD       TRP  49  15.232   0.321  -4.866
  405    HE1  TRP  49          1HE       TRP  49  17.431  -0.489  -5.949
  406    HE3  TRP  49          3HE       TRP  49  18.473   3.752  -2.938
  407    HZ2  TRP  49          2HZ       TRP  49  20.206   0.232  -5.988
  408    HZ3  TRP  49          3HZ       TRP  49  20.881   3.676  -3.509
  409    HH2  TRP  49           HH       TRP  49  21.752   1.923  -5.030
  410    H    ARG  50           H        ARG  50  13.425   2.725  -4.927
  411    HA   ARG  50           HA       ARG  50  13.072   1.894  -7.081
  412    HB2  ARG  50          2HB       ARG  50  11.866   4.056  -6.888
  413    HB3  ARG  50          1HB       ARG  50  13.276   4.872  -7.566
  414    HG2  ARG  50          2HG       ARG  50  13.101   3.513  -9.608
  415    HG3  ARG  50          1HG       ARG  50  11.706   2.671  -8.933
  416    HD2  ARG  50          2HD       ARG  50  10.541   4.889  -8.753
  417    HD3  ARG  50          1HD       ARG  50  11.897   5.615  -9.612
  418    HE   ARG  50           HE       ARG  50  10.970   3.441 -11.134
  419   HH11  ARG  50          1HH1      ARG  50   9.611   3.834 -12.914
  420   HH12  ARG  50          2HH1      ARG  50   8.714   5.313 -13.002
  421   HH21  ARG  50          1HH2      ARG  50   9.936   6.540  -9.996
  422   HH22  ARG  50          2HH2      ARG  50   8.898   6.845 -11.348
  Start of MODEL    6
    1    H    FME   1           H        FME   1 -10.787  -5.500   1.770
    2    HCN  FME   1           HF       FME   1 -10.483  -4.912   4.003
    3    HA   FME   1           HA       FME   1  -8.383  -4.293   0.981
    4    HB2  FME   1          1HB       FME   1 -10.863  -4.395  -0.735
    5    HB3  FME   1          2HB       FME   1  -9.936  -5.847  -0.343
    6    HG2  FME   1          1HG       FME   1  -7.898  -4.763  -1.261
    7    HG3  FME   1          2HG       FME   1  -8.864  -3.354  -1.698
    8    HE1  FME   1          1HE       FME   1  -8.153  -4.750  -5.113
    9    HE2  FME   1          2HE       FME   1  -7.102  -5.429  -3.873
   10    HE3  FME   1          3HE       FME   1  -7.607  -3.744  -3.765
   11    H    ALA   2           H        ALA   2 -11.696  -2.959   1.048
   12    HA   ALA   2           HA       ALA   2 -11.051  -0.415   0.019
   13    HB1  ALA   2          1HB       ALA   2 -13.203   0.280   0.773
   14    HB2  ALA   2          2HB       ALA   2 -13.249  -0.977   2.009
   15    HB3  ALA   2          3HB       ALA   2 -13.367  -1.412   0.304
   16    H    GLY   3           H        GLY   3 -11.094  -1.678   3.328
   17    HA2  GLY   3          2HA       GLY   3 -10.681   0.768   4.669
   18    HA3  GLY   3          1HA       GLY   3 -10.241  -0.822   5.289
   19    H    LEU   4           H        LEU   4  -8.391  -1.619   3.366
   20    HA   LEU   4           HA       LEU   4  -6.016  -0.439   4.280
   21    HB2  LEU   4          2HB       LEU   4  -6.127  -2.698   3.316
   22    HB3  LEU   4          1HB       LEU   4  -6.529  -2.018   1.747
   23    HG   LEU   4           HG       LEU   4  -4.256  -0.698   2.049
   24   HD11  LEU   4          1HD1      LEU   4  -3.870  -1.337   4.362
   25   HD12  LEU   4          2HD1      LEU   4  -2.620  -2.038   3.333
   26   HD13  LEU   4          3HD1      LEU   4  -3.946  -3.043   3.917
   27   HD21  LEU   4          1HD2      LEU   4  -4.460  -2.243   0.269
   28   HD22  LEU   4          2HD2      LEU   4  -4.581  -3.609   1.375
   29   HD23  LEU   4          3HD2      LEU   4  -3.045  -2.779   1.175
   30    H    LEU   5           H        LEU   5  -7.833   0.020   1.255
   31    HA   LEU   5           HA       LEU   5  -6.027   1.820   0.071
   32    HB2  LEU   5          2HB       LEU   5  -9.016   1.533  -0.266
   33    HB3  LEU   5          1HB       LEU   5  -7.979   2.504  -1.317
   34    HG   LEU   5           HG       LEU   5  -7.599  -0.456  -0.801
   35   HD11  LEU   5          1HD1      LEU   5  -9.598  -0.311  -2.048
   36   HD12  LEU   5          2HD1      LEU   5  -8.351  -0.555  -3.271
   37   HD13  LEU   5          3HD1      LEU   5  -9.012   1.056  -2.996
   38   HD21  LEU   5          1HD2      LEU   5  -5.506   0.238  -1.496
   39   HD22  LEU   5          2HD2      LEU   5  -6.133   1.634  -2.368
   40   HD23  LEU   5          3HD2      LEU   5  -6.253   0.024  -3.076
   41    H    ARG   6           H        ARG   6  -8.870   2.382   2.143
   42    HA   ARG   6           HA       ARG   6  -8.786   5.193   1.986
   43    HB2  ARG   6          2HB       ARG   6 -10.631   5.091   3.304
   44    HB3  ARG   6          1HB       ARG   6 -10.513   3.361   3.049
   45    HG2  ARG   6          2HG       ARG   6 -10.731   3.472   5.347
   46    HG3  ARG   6          1HG       ARG   6  -8.990   3.447   5.214
   47    HD2  ARG   6          2HD       ARG   6  -8.993   5.958   5.336
   48    HD3  ARG   6          1HD       ARG   6 -10.736   5.899   5.536
   49    HE   ARG   6           HE       ARG   6  -9.634   4.251   7.490
   50   HH11  ARG   6          1HH1      ARG   6  -9.286   5.013   9.565
   51   HH12  ARG   6          2HH1      ARG   6  -9.155   6.712   9.860
   52   HH21  ARG   6          1HH2      ARG   6  -9.592   7.578   6.521
   53   HH22  ARG   6          2HH2      ARG   6  -9.327   8.179   8.125
   54    H    PHE   7           H        PHE   7  -7.239   2.960   4.251
   55    HA   PHE   7           HA       PHE   7  -6.139   4.868   5.995
   56    HB2  PHE   7          2HB       PHE   7  -6.293   2.419   6.431
   57    HB3  PHE   7          1HB       PHE   7  -5.028   2.163   5.234
   58    HD1  PHE   7          1HD       PHE   7  -2.714   2.579   5.752
   59    HD2  PHE   7          2HD       PHE   7  -5.797   3.724   8.516
   60    HE1  PHE   7          1HE       PHE   7  -0.996   2.982   7.500
   61    HE2  PHE   7          2HE       PHE   7  -4.080   4.134  10.261
   62    HZ   PHE   7           HZ       PHE   7  -1.688   3.755   9.754
   63    H    LEU   8           H        LEU   8  -4.854   3.318   3.065
   64    HA   LEU   8           HA       LEU   8  -2.301   4.499   3.178
   65    HB2  LEU   8          2HB       LEU   8  -3.903   3.505   0.804
   66    HB3  LEU   8          1HB       LEU   8  -2.224   4.033   0.702
   67    HG   LEU   8           HG       LEU   8  -2.988   1.956   2.737
   68   HD11  LEU   8          1HD1      LEU   8  -3.926   1.119   0.636
   69   HD12  LEU   8          2HD1      LEU   8  -2.453   0.225   1.003
   70   HD13  LEU   8          3HD1      LEU   8  -2.431   1.496  -0.211
   71   HD21  LEU   8          1HD2      LEU   8  -0.481   1.981   1.081
   72   HD22  LEU   8          2HD2      LEU   8  -0.720   1.453   2.743
   73   HD23  LEU   8          3HD2      LEU   8  -0.656   3.167   2.371
   74    H    LEU   9           H        LEU   9  -5.315   5.548   1.636
   75    HA   LEU   9           HA       LEU   9  -4.271   7.853   0.373
   76    HB2  LEU   9          2HB       LEU   9  -6.613   6.624   0.207
   77    HB3  LEU   9          1HB       LEU   9  -7.070   7.798   1.437
   78    HG   LEU   9           HG       LEU   9  -5.781   8.526  -1.205
   79   HD11  LEU   9          1HD1      LEU   9  -8.164   7.500  -1.238
   80   HD12  LEU   9          2HD1      LEU   9  -7.918   9.047  -2.060
   81   HD13  LEU   9          3HD1      LEU   9  -8.663   9.003  -0.461
   82   HD21  LEU   9          1HD2      LEU   9  -6.784  10.054   1.170
   83   HD22  LEU   9          2HD2      LEU   9  -6.926  10.782  -0.430
   84   HD23  LEU   9          3HD2      LEU   9  -5.342  10.327   0.193
   85    H    SER  10           H        SER  10  -5.780   7.408   3.591
   86    HA   SER  10           HA       SER  10  -5.775  10.112   4.346
   87    HB2  SER  10          2HB       SER  10  -5.473   7.665   6.094
   88    HB3  SER  10          1HB       SER  10  -5.893   9.279   6.657
   89    HG   SER  10           HG       SER  10  -7.770   8.087   6.317
   90    H    LYS  11           H        LYS  11  -3.263   7.612   4.675
   91    HA   LYS  11           HA       LYS  11  -1.498   9.324   6.141
   92    HB2  LYS  11          2HB       LYS  11  -0.937   6.798   4.565
   93    HB3  LYS  11          1HB       LYS  11   0.222   7.598   5.620
   94    HG2  LYS  11          2HG       LYS  11  -2.484   6.619   6.575
   95    HG3  LYS  11          1HG       LYS  11  -1.012   5.654   6.687
   96    HD2  LYS  11          2HD       LYS  11  -0.013   7.737   7.899
   97    HD3  LYS  11          1HD       LYS  11  -1.691   8.220   8.118
   98    HE2  LYS  11          2HE       LYS  11  -2.189   6.111   9.246
   99    HE3  LYS  11          1HE       LYS  11  -0.534   5.561   8.974
  100    HZ1  LYS  11          1HZ       LYS  11  -1.557   7.340  10.977
  101    HZ2  LYS  11          2HZ       LYS  11  -0.220   7.988  10.153
  102    HZ3  LYS  11          3HZ       LYS  11  -0.093   6.485  10.935
  103    H    GLY  12           H        GLY  12  -1.759   8.467   2.706
  104    HA2  GLY  12          2HA       GLY  12  -0.630  10.970   1.889
  105    HA3  GLY  12          1HA       GLY  12   0.500   9.634   1.658
  106    H    ARG  13           H        ARG  13  -0.354  11.019  -0.540
  107    HA   ARG  13           HA       ARG  13  -2.587   9.566  -1.733
  108    HB2  ARG  13          2HB       ARG  13  -2.372  12.011  -2.077
  109    HB3  ARG  13          1HB       ARG  13  -0.845  11.736  -2.915
  110    HG2  ARG  13          2HG       ARG  13  -2.001  10.345  -4.586
  111    HG3  ARG  13          1HG       ARG  13  -3.533  10.598  -3.746
  112    HD2  ARG  13          2HD       ARG  13  -3.230  13.071  -4.093
  113    HD3  ARG  13          1HD       ARG  13  -1.825  12.707  -5.091
  114    HE   ARG  13           HE       ARG  13  -4.031  11.221  -6.044
  115   HH11  ARG  13          1HH1      ARG  13  -5.124  11.969  -7.900
  116   HH12  ARG  13          2HH1      ARG  13  -4.963  13.626  -8.379
  117   HH21  ARG  13          1HH2      ARG  13  -2.845  14.454  -5.763
  118   HH22  ARG  13          2HH2      ARG  13  -3.673  15.030  -7.172
  119    H    ALA  14           H        ALA  14   0.891   9.735  -1.906
  120    HA   ALA  14           HA       ALA  14   1.271   8.405  -4.352
  121    HB1  ALA  14          1HB       ALA  14   3.489   7.709  -3.178
  122    HB2  ALA  14          2HB       ALA  14   2.928   8.754  -1.873
  123    HB3  ALA  14          3HB       ALA  14   3.184   9.417  -3.487
  124    H    LEU  15           H        LEU  15   0.943   7.159  -1.034
  125    HA   LEU  15           HA       LEU  15   1.433   4.454  -1.584
  126    HB2  LEU  15          2HB       LEU  15  -0.547   5.600   0.392
  127    HB3  LEU  15          1HB       LEU  15   0.260   4.047   0.486
  128    HG   LEU  15           HG       LEU  15   1.716   6.701   0.477
  129   HD11  LEU  15          1HD1      LEU  15   2.123   6.026   2.927
  130   HD12  LEU  15          2HD1      LEU  15   0.755   4.932   2.727
  131   HD13  LEU  15          3HD1      LEU  15   0.531   6.669   2.530
  132   HD21  LEU  15          1HD2      LEU  15   2.506   3.808   0.761
  133   HD22  LEU  15          2HD2      LEU  15   3.485   5.076   1.491
  134   HD23  LEU  15          3HD2      LEU  15   3.228   5.057  -0.253
  135    H    TYR  16           H        TYR  16  -1.567   6.332  -1.618
  136    HA   TYR  16           HA       TYR  16  -3.376   4.253  -2.183
  137    HB2  TYR  16          2HB       TYR  16  -4.101   6.437  -1.403
  138    HB3  TYR  16          1HB       TYR  16  -3.466   7.212  -2.853
  139    HD1  TYR  16          1HD       TYR  16  -4.898   7.598  -4.621
  140    HD2  TYR  16          2HD       TYR  16  -5.814   4.465  -1.834
  141    HE1  TYR  16          1HE       TYR  16  -7.056   7.213  -5.766
  142    HE2  TYR  16          2HE       TYR  16  -7.973   4.071  -2.986
  143    HH   TYR  16           HH       TYR  16  -9.505   5.175  -4.423
  144    H    ASN  17           H        ASN  17  -1.614   6.465  -4.325
  145    HA   ASN  17           HA       ASN  17  -2.726   5.537  -6.741
  146    HB2  ASN  17          2HB       ASN  17  -0.132   6.908  -6.060
  147    HB3  ASN  17          1HB       ASN  17  -0.518   6.428  -7.712
  148   HD21  ASN  17          1HD2      ASN  17  -0.256   9.184  -6.920
  149   HD22  ASN  17          2HD2      ASN  17  -1.777   9.915  -7.086
  150    H    TRP  18           H        TRP  18   0.166   4.523  -4.939
  151    HA   TRP  18           HA       TRP  18   1.171   2.672  -6.775
  152    HB2  TRP  18          2HB       TRP  18   2.548   3.306  -4.942
  153    HB3  TRP  18          1HB       TRP  18   1.312   2.867  -3.766
  154    HD1  TRP  18           HD       TRP  18   0.813   0.255  -3.434
  155    HE1  TRP  18          1HE       TRP  18   2.344  -1.794  -3.705
  156    HE3  TRP  18          3HE       TRP  18   4.532   2.308  -6.262
  157    HZ2  TRP  18          2HZ       TRP  18   4.828  -2.472  -4.944
  158    HZ3  TRP  18          3HZ       TRP  18   6.473   0.938  -6.975
  159    HH2  TRP  18           HH       TRP  18   6.623  -1.450  -6.322
  160    H    ALA  19           H        ALA  19  -1.137   2.238  -4.104
  161    HA   ALA  19           HA       ALA  19  -1.462  -0.548  -4.379
  162    HB1  ALA  19          1HB       ALA  19  -3.621  -0.183  -3.180
  163    HB2  ALA  19          2HB       ALA  19  -3.382   1.555  -3.355
  164    HB3  ALA  19          3HB       ALA  19  -2.251   0.601  -2.396
  165    H    LYS  20           H        LYS  20  -3.180   2.180  -5.853
  166    HA   LYS  20           HA       LYS  20  -5.159   0.647  -7.179
  167    HB2  LYS  20          2HB       LYS  20  -5.290   3.109  -6.836
  168    HB3  LYS  20          1HB       LYS  20  -3.997   3.317  -8.017
  169    HG2  LYS  20          2HG       LYS  20  -5.375   2.242  -9.742
  170    HG3  LYS  20          1HG       LYS  20  -6.657   1.973  -8.561
  171    HD2  LYS  20          2HD       LYS  20  -6.858   4.422  -8.224
  172    HD3  LYS  20          1HD       LYS  20  -5.598   4.680  -9.432
  173    HE2  LYS  20          2HE       LYS  20  -6.994   3.584 -11.139
  174    HE3  LYS  20          1HE       LYS  20  -8.245   3.291  -9.934
  175    HZ1  LYS  20          1HZ       LYS  20  -8.587   5.299 -11.359
  176    HZ2  LYS  20          2HZ       LYS  20  -7.241   6.001 -10.597
  177    HZ3  LYS  20          3HZ       LYS  20  -8.619   5.597  -9.688
  178    H    SER  21           H        SER  21  -1.989   1.847  -8.205
  179    HA   SER  21           HA       SER  21  -2.063   0.964 -10.859
  180    HB2  SER  21          2HB       SER  21  -0.377   2.508 -10.333
  181    HB3  SER  21          1HB       SER  21   0.183   1.562  -8.956
  182    HG   SER  21           HG       SER  21   1.254   1.504 -11.239
  183    H    HIS  22           H        HIS  22  -0.882  -0.724  -7.926
  184    HA   HIS  22           HA       HIS  22  -0.752  -3.204  -9.545
  185    HB2  HIS  22          2HB       HIS  22   1.050  -2.329  -7.276
  186    HB3  HIS  22          1HB       HIS  22   1.067  -3.929  -8.011
  187    HD1  HIS  22          1HD       HIS  22   1.519  -3.904 -10.720
  188    HD2  HIS  22          2HD       HIS  22   2.666  -0.498  -8.606
  189    HE1  HIS  22          1HE       HIS  22   3.135  -2.646 -12.209
  190    HE2  HIS  22          2HE       HIS  22   3.841  -0.564 -10.937
  191    H    VAL  23           H        VAL  23  -2.852  -3.774  -8.966
  192    HA   VAL  23           HA       VAL  23  -3.779  -3.854  -6.304
  193    HB   VAL  23           HB       VAL  23  -5.570  -5.339  -7.200
  194   HG11  VAL  23          1HG1      VAL  23  -6.291  -3.687  -9.043
  195   HG12  VAL  23          2HG1      VAL  23  -4.779  -2.840  -8.713
  196   HG13  VAL  23          3HG1      VAL  23  -5.989  -3.014  -7.443
  197   HG21  VAL  23          1HG2      VAL  23  -3.697  -5.316  -9.580
  198   HG22  VAL  23          2HG2      VAL  23  -5.426  -5.592  -9.790
  199   HG23  VAL  23          3HG2      VAL  23  -4.475  -6.696  -8.803
  200    H    GLY  24           H        GLY  24  -1.752  -5.906  -8.183
  201    HA2  GLY  24          2HA       GLY  24  -2.116  -8.371  -6.856
  202    HA3  GLY  24          1HA       GLY  24  -0.661  -7.880  -7.720
  203    H    LYS  25           H        LYS  25  -0.033  -5.576  -6.178
  204    HA   LYS  25           HA       LYS  25   1.442  -6.746  -4.068
  205    HB2  LYS  25          2HB       LYS  25   0.697  -3.835  -4.491
  206    HB3  LYS  25          1HB       LYS  25   1.930  -4.420  -3.381
  207    HG2  LYS  25          2HG       LYS  25   2.054  -5.113  -6.316
  208    HG3  LYS  25          1HG       LYS  25   2.688  -3.579  -5.720
  209    HD2  LYS  25          2HD       LYS  25   4.155  -4.809  -4.143
  210    HD3  LYS  25          1HD       LYS  25   3.549  -6.339  -4.773
  211    HE2  LYS  25          2HE       LYS  25   4.388  -5.749  -7.023
  212    HE3  LYS  25          1HE       LYS  25   5.009  -4.231  -6.389
  213    HZ1  LYS  25          1HZ       LYS  25   6.838  -5.612  -6.304
  214    HZ2  LYS  25          2HZ       LYS  25   5.934  -6.978  -5.854
  215    HZ3  LYS  25          3HZ       LYS  25   6.236  -5.745  -4.724
  216    H    VAL  26           H        VAL  26  -1.631  -5.044  -4.189
  217    HA   VAL  26           HA       VAL  26  -2.074  -4.814  -1.421
  218    HB   VAL  26           HB       VAL  26  -3.993  -5.009  -3.737
  219   HG11  VAL  26          1HG1      VAL  26  -5.241  -5.723  -1.837
  220   HG12  VAL  26          2HG1      VAL  26  -5.597  -4.006  -1.996
  221   HG13  VAL  26          3HG1      VAL  26  -4.444  -4.560  -0.780
  222   HG21  VAL  26          1HG2      VAL  26  -2.425  -3.022  -3.541
  223   HG22  VAL  26          2HG2      VAL  26  -3.197  -2.653  -2.000
  224   HG23  VAL  26          3HG2      VAL  26  -4.139  -2.605  -3.490
  225    H    TRP  27           H        TRP  27  -2.999  -7.272  -3.759
  226    HA   TRP  27           HA       TRP  27  -4.377  -8.964  -1.956
  227    HB2  TRP  27          2HB       TRP  27  -2.989  -9.481  -4.580
  228    HB3  TRP  27          1HB       TRP  27  -3.802 -10.761  -3.681
  229    HD1  TRP  27           HD       TRP  27  -4.477  -8.270  -6.249
  230    HE1  TRP  27          1HE       TRP  27  -7.007  -7.831  -6.497
  231    HE3  TRP  27          3HE       TRP  27  -6.176 -10.504  -1.986
  232    HZ2  TRP  27          2HZ       TRP  27  -9.435  -8.350  -5.062
  233    HZ3  TRP  27          3HZ       TRP  27  -8.593 -10.515  -1.447
  234    HH2  TRP  27           HH       TRP  27 -10.223  -9.444  -2.978
  235    H    GLU  28           H        GLU  28  -0.984  -8.886  -2.987
  236    HA   GLU  28           HA       GLU  28  -0.078 -11.190  -1.709
  237    HB2  GLU  28          2HB       GLU  28   1.226  -9.841  -3.361
  238    HB3  GLU  28          1HB       GLU  28   1.474  -8.618  -2.117
  239    HG2  GLU  28          2HG       GLU  28   3.424 -10.033  -2.123
  240    HG3  GLU  28          1HG       GLU  28   2.503 -10.429  -0.672
  241    H    TRP  29           H        TRP  29  -0.253  -7.815  -0.446
  242    HA   TRP  29           HA       TRP  29   0.930  -8.524   2.042
  243    HB2  TRP  29          2HB       TRP  29  -1.059  -6.295   1.779
  244    HB3  TRP  29          1HB       TRP  29   0.308  -6.424   2.870
  245    HD1  TRP  29           HD       TRP  29  -0.615  -4.395   0.235
  246    HE1  TRP  29          1HE       TRP  29   1.330  -3.578  -1.235
  247    HE3  TRP  29          3HE       TRP  29   3.014  -7.717   1.632
  248    HZ2  TRP  29          2HZ       TRP  29   4.055  -4.223  -1.737
  249    HZ3  TRP  29          3HZ       TRP  29   5.269  -7.569   0.652
  250    HH2  TRP  29           HH       TRP  29   5.802  -5.831  -1.028
  251    H    LEU  30           H        LEU  30  -2.416  -8.419   0.898
  252    HA   LEU  30           HA       LEU  30  -3.611  -8.865   3.423
  253    HB2  LEU  30          2HB       LEU  30  -4.485  -9.154   0.590
  254    HB3  LEU  30          1HB       LEU  30  -5.435  -9.998   1.806
  255    HG   LEU  30           HG       LEU  30  -6.145  -7.587   1.190
  256   HD11  LEU  30          1HD1      LEU  30  -5.624  -8.068   4.132
  257   HD12  LEU  30          2HD1      LEU  30  -6.865  -8.933   3.228
  258   HD13  LEU  30          3HD1      LEU  30  -6.954  -7.183   3.394
  259   HD21  LEU  30          1HD2      LEU  30  -4.939  -5.776   1.949
  260   HD22  LEU  30          2HD2      LEU  30  -3.609  -6.857   1.549
  261   HD23  LEU  30          3HD2      LEU  30  -4.134  -6.676   3.226
  262    H    LYS  31           H        LYS  31  -2.497 -11.134   0.965
  263    HA   LYS  31           HA       LYS  31  -3.343 -13.490   2.281
  264    HB2  LYS  31          2HB       LYS  31  -2.602 -13.382  -0.098
  265    HB3  LYS  31          1HB       LYS  31  -0.949 -13.133   0.456
  266    HG2  LYS  31          2HG       LYS  31  -2.370 -15.484   1.623
  267    HG3  LYS  31          1HG       LYS  31  -1.986 -15.589  -0.092
  268    HD2  LYS  31          2HD       LYS  31   0.384 -15.066   0.417
  269    HD3  LYS  31          1HD       LYS  31  -0.004 -15.016   2.132
  270    HE2  LYS  31          2HE       LYS  31  -0.761 -17.356   2.044
  271    HE3  LYS  31          1HE       LYS  31  -0.371 -17.416   0.323
  272    HZ1  LYS  31          1HZ       LYS  31   1.879 -17.275   0.739
  273    HZ2  LYS  31          2HZ       LYS  31   1.349 -18.249   2.025
  274    HZ3  LYS  31          3HZ       LYS  31   1.671 -16.601   2.282
  275    H    SER  32           H        SER  32  -0.303 -11.636   2.402
  276    HA   SER  32           HA       SER  32   1.020 -13.396   4.227
  277    HB2  SER  32          2HB       SER  32   2.640 -11.544   4.489
  278    HB3  SER  32          1HB       SER  32   2.292 -11.875   2.796
  279    HG   SER  32           HG       SER  32   1.861  -9.632   4.254
  280    H    GLY  33           H        GLY  33  -1.175 -10.704   4.591
  281    HA2  GLY  33          2HA       GLY  33  -2.466 -10.218   6.477
  282    HA3  GLY  33          1HA       GLY  33  -1.457 -11.300   7.423
  283    H    ALA  34           H        ALA  34   0.164  -9.005   5.446
  284    HA   ALA  34           HA       ALA  34   1.492  -7.795   7.637
  285    HB1  ALA  34          1HB       ALA  34   1.293  -6.430   4.974
  286    HB2  ALA  34          2HB       ALA  34   2.166  -7.958   5.104
  287    HB3  ALA  34          3HB       ALA  34   2.676  -6.568   6.059
  288    H    THR  35           H        THR  35   1.357  -5.664   8.427
  289    HA   THR  35           HA       THR  35  -1.348  -4.674   8.652
  290    HB   THR  35           HB       THR  35  -0.428  -3.097  10.260
  291    HG1  THR  35          1HG       THR  35   1.633  -3.062   8.835
  292   HG21  THR  35          1HG2      THR  35  -0.804  -5.290  11.141
  293   HG22  THR  35          2HG2      THR  35   0.754  -4.753  11.767
  294   HG23  THR  35          3HG2      THR  35   0.685  -5.897  10.426
  295    H    TYR  36           H        TYR  36  -1.878  -2.404   8.330
  296    HA   TYR  36           HA       TYR  36  -1.342  -1.539   5.709
  297    HB2  TYR  36          2HB       TYR  36  -2.235   0.317   7.916
  298    HB3  TYR  36          1HB       TYR  36  -2.686   0.336   6.217
  299    HD1  TYR  36          1HD       TYR  36  -3.211  -2.761   6.057
  300    HD2  TYR  36          2HD       TYR  36  -4.467   0.318   8.778
  301    HE1  TYR  36          1HE       TYR  36  -5.251  -4.049   6.569
  302    HE2  TYR  36          2HE       TYR  36  -6.503  -0.985   9.301
  303    HH   TYR  36           HH       TYR  36  -7.820  -2.686   8.539
  304    H    GLU  37           H        GLU  37   0.019  -0.525   8.829
  305    HA   GLU  37           HA       GLU  37   1.530   1.627   7.868
  306    HB2  GLU  37          2HB       GLU  37   1.994  -0.209  10.214
  307    HB3  GLU  37          1HB       GLU  37   2.935   1.251   9.902
  308    HG2  GLU  37          2HG       GLU  37   0.921   2.628  10.023
  309    HG3  GLU  37          1HG       GLU  37  -0.084   1.191  10.212
  310    H    GLN  38           H        GLN  38   2.520  -1.777   8.363
  311    HA   GLN  38           HA       GLN  38   5.168  -1.412   7.483
  312    HB2  GLN  38          2HB       GLN  38   4.366  -3.375   8.748
  313    HB3  GLN  38          1HB       GLN  38   3.477  -3.914   7.325
  314    HG2  GLN  38          2HG       GLN  38   5.581  -4.027   6.058
  315    HG3  GLN  38          1HG       GLN  38   6.478  -3.486   7.473
  316   HE21  GLN  38          1HE2      GLN  38   7.427  -5.189   8.571
  317   HE22  GLN  38          2HE2      GLN  38   6.807  -6.766   8.671
  318    H    ILE  39           H        ILE  39   2.183  -2.200   5.715
  319    HA   ILE  39           HA       ILE  39   3.406  -2.780   3.228
  320    HB   ILE  39           HB       ILE  39   0.635  -1.737   3.858
  321   HG12  ILE  39          2HG1      ILE  39   1.518  -4.506   3.040
  322   HG13  ILE  39          1HG1      ILE  39   1.500  -4.025   4.726
  323   HG21  ILE  39          1HG2      ILE  39   1.863  -2.842   1.308
  324   HG22  ILE  39          2HG2      ILE  39   1.143  -1.244   1.529
  325   HG23  ILE  39          3HG2      ILE  39   0.128  -2.683   1.569
  326   HD11  ILE  39          1HD1      ILE  39  -0.956  -3.306   4.289
  327   HD12  ILE  39          2HD1      ILE  39  -0.625  -5.025   4.404
  328   HD13  ILE  39          3HD1      ILE  39  -0.833  -4.273   2.822
  329    H    LYS  40           H        LYS  40   2.129   0.334   4.555
  330    HA   LYS  40           HA       LYS  40   2.775   1.703   2.132
  331    HB2  LYS  40          2HB       LYS  40   2.706   3.844   3.273
  332    HB3  LYS  40          1HB       LYS  40   1.240   2.874   3.617
  333    HG2  LYS  40          2HG       LYS  40   2.148   2.243   5.784
  334    HG3  LYS  40          1HG       LYS  40   3.655   3.095   5.444
  335    HD2  LYS  40          2HD       LYS  40   2.282   5.204   5.144
  336    HD3  LYS  40          1HD       LYS  40   0.887   4.309   5.754
  337    HE2  LYS  40          2HE       LYS  40   2.026   3.905   7.872
  338    HE3  LYS  40          1HE       LYS  40   3.497   4.662   7.264
  339    HZ1  LYS  40          1HZ       LYS  40   1.017   6.221   7.148
  340    HZ2  LYS  40          2HZ       LYS  40   2.616   6.731   7.423
  341    HZ3  LYS  40          3HZ       LYS  40   1.732   5.998   8.672
  342    H    GLU  41           H        GLU  41   4.556   1.003   5.095
  343    HA   GLU  41           HA       GLU  41   6.739   2.676   4.720
  344    HB2  GLU  41          2HB       GLU  41   6.377   1.318   6.755
  345    HB3  GLU  41          1HB       GLU  41   6.753  -0.142   5.834
  346    HG2  GLU  41          2HG       GLU  41   8.991   0.762   5.324
  347    HG3  GLU  41          1HG       GLU  41   8.613   2.215   6.254
  348    H    TRP  42           H        TRP  42   6.257  -0.688   3.531
  349    HA   TRP  42           HA       TRP  42   8.714  -0.844   2.123
  350    HB2  TRP  42          2HB       TRP  42   6.058  -2.215   1.573
  351    HB3  TRP  42          1HB       TRP  42   7.574  -2.636   0.790
  352    HD1  TRP  42           HD       TRP  42   9.406  -2.501   3.484
  353    HE1  TRP  42          1HE       TRP  42   9.197  -4.420   5.178
  354    HE3  TRP  42          3HE       TRP  42   4.830  -4.361   2.166
  355    HZ2  TRP  42          2HZ       TRP  42   7.354  -6.484   5.885
  356    HZ3  TRP  42          3HZ       TRP  42   3.883  -6.307   3.368
  357    HH2  TRP  42           HH       TRP  42   5.135  -7.377   5.226
  358    H    ILE  43           H        ILE  43   5.470   0.199   1.137
  359    HA   ILE  43           HA       ILE  43   6.055   0.571  -1.594
  360    HB   ILE  43           HB       ILE  43   3.979   1.836   0.200
  361   HG12  ILE  43          2HG1      ILE  43   3.683  -0.261  -1.962
  362   HG13  ILE  43          1HG1      ILE  43   3.924  -0.673  -0.262
  363   HG21  ILE  43          1HG2      ILE  43   2.862   2.349  -2.035
  364   HG22  ILE  43          2HG2      ILE  43   4.433   2.043  -2.776
  365   HG23  ILE  43          3HG2      ILE  43   4.246   3.355  -1.610
  366   HD11  ILE  43          1HD1      ILE  43   1.516  -0.649  -0.865
  367   HD12  ILE  43          2HD1      ILE  43   1.665   1.046  -1.342
  368   HD13  ILE  43          3HD1      ILE  43   1.899   0.579   0.345
  369    H    GLU  44           H        GLU  44   6.131   2.913   1.089
  370    HA   GLU  44           HA       GLU  44   6.788   5.047  -0.591
  371    HB2  GLU  44          2HB       GLU  44   7.305   6.301   1.506
  372    HB3  GLU  44          1HB       GLU  44   5.721   5.514   1.517
  373    HG2  GLU  44          2HG       GLU  44   6.474   4.948   3.602
  374    HG3  GLU  44          1HG       GLU  44   7.021   3.596   2.663
  375    H    ASN  45           H        ASN  45   8.827   2.659   1.161
  376    HA   ASN  45           HA       ASN  45  11.285   3.965   0.677
  377    HB2  ASN  45          2HB       ASN  45  10.509   1.086   1.137
  378    HB3  ASN  45          1HB       ASN  45  12.182   1.557   0.845
  379   HD21  ASN  45          1HD2      ASN  45  11.422   0.451   3.348
  380   HD22  ASN  45          2HD2      ASN  45  11.538   1.661   4.534
  381    H    ALA  46           H        ALA  46   9.426   1.604  -1.227
  382    HA   ALA  46           HA       ALA  46  11.322   1.293  -3.319
  383    HB1  ALA  46          1HB       ALA  46   9.488   0.346  -4.592
  384    HB2  ALA  46          2HB       ALA  46   8.307   1.066  -3.498
  385    HB3  ALA  46          3HB       ALA  46   9.369  -0.218  -2.926
  386    H    LEU  47           H        LEU  47   8.562   3.497  -2.882
  387    HA   LEU  47           HA       LEU  47   8.602   4.725  -5.373
  388    HB2  LEU  47          2HB       LEU  47   6.986   4.909  -3.287
  389    HB3  LEU  47          1HB       LEU  47   8.000   6.280  -2.880
  390    HG   LEU  47           HG       LEU  47   6.206   7.199  -4.122
  391   HD11  LEU  47          1HD1      LEU  47   8.543   7.871  -4.852
  392   HD12  LEU  47          2HD1      LEU  47   7.259   8.185  -6.015
  393   HD13  LEU  47          3HD1      LEU  47   8.329   6.804  -6.239
  394   HD21  LEU  47          1HD2      LEU  47   5.544   4.871  -5.050
  395   HD22  LEU  47          2HD2      LEU  47   6.627   5.247  -6.394
  396   HD23  LEU  47          3HD2      LEU  47   5.234   6.277  -6.067
  397    H    GLY  48           H        GLY  48  10.367   5.553  -2.381
  398    HA2  GLY  48          2HA       GLY  48  11.636   7.880  -3.383
  399    HA3  GLY  48          1HA       GLY  48  12.155   6.949  -1.980
  400    H    TRP  49           H        TRP  49  12.668   4.471  -3.227
  401    HA   TRP  49           HA       TRP  49  14.622   5.026  -5.342
  402    HB2  TRP  49          2HB       TRP  49  16.461   4.041  -4.183
  403    HB3  TRP  49          1HB       TRP  49  15.755   5.208  -3.067
  404    HD1  TRP  49           HD       TRP  49  14.451   4.307  -0.977
  405    HE1  TRP  49          1HE       TRP  49  14.362   2.000   0.167
  406    HE3  TRP  49          3HE       TRP  49  16.594   1.424  -4.617
  407    HZ2  TRP  49          2HZ       TRP  49  15.098  -0.704  -0.383
  408    HZ3  TRP  49          3HZ       TRP  49  16.891  -1.014  -4.274
  409    HH2  TRP  49           HH       TRP  49  16.146  -2.079  -2.162
  410    H    ARG  50           H        ARG  50  15.344   3.100  -6.434
  411    HA   ARG  50           HA       ARG  50  13.866   0.623  -5.879
  412    HB2  ARG  50          2HB       ARG  50  12.484   1.901  -7.505
  413    HB3  ARG  50          1HB       ARG  50  13.866   1.953  -8.602
  414    HG2  ARG  50          2HG       ARG  50  13.924  -0.506  -8.671
  415    HG3  ARG  50          1HG       ARG  50  12.557  -0.575  -7.554
  416    HD2  ARG  50          2HD       ARG  50  11.145   0.599  -9.171
  417    HD3  ARG  50          1HD       ARG  50  12.506   0.757 -10.279
  418    HE   ARG  50           HE       ARG  50  12.276  -1.516 -10.828
  419   HH11  ARG  50          1HH1      ARG  50  11.059  -3.433 -10.850
  420   HH12  ARG  50          2HH1      ARG  50   9.779  -3.654  -9.704
  421   HH21  ARG  50          1HH2      ARG  50  10.251  -0.572  -8.187
  422   HH22  ARG  50          2HH2      ARG  50   9.315  -2.029  -8.204
  Start of MODEL    7
    1    H    FME   1           H        FME   1 -11.566  -5.044   1.871
    2    HCN  FME   1           HF       FME   1 -11.598  -4.141   4.027
    3    HA   FME   1           HA       FME   1  -9.117  -3.970   1.195
    4    HB2  FME   1          1HB       FME   1 -11.519  -4.112  -0.635
    5    HB3  FME   1          2HB       FME   1 -10.472  -5.477  -0.252
    6    HG2  FME   1          1HG       FME   1  -8.539  -3.910  -1.030
    7    HG3  FME   1          2HG       FME   1  -9.824  -2.969  -1.793
    8    HE1  FME   1          1HE       FME   1  -8.515  -4.627  -4.894
    9    HE2  FME   1          2HE       FME   1  -7.413  -4.422  -3.536
   10    HE3  FME   1          3HE       FME   1  -8.634  -3.195  -3.865
   11    H    ALA   2           H        ALA   2 -12.299  -2.424   1.039
   12    HA   ALA   2           HA       ALA   2 -11.434   0.020  -0.072
   13    HB1  ALA   2          1HB       ALA   2 -13.547   0.915   0.685
   14    HB2  ALA   2          2HB       ALA   2 -13.729  -0.386   1.864
   15    HB3  ALA   2          3HB       ALA   2 -13.823  -0.737   0.137
   16    H    GLY   3           H        GLY   3 -11.694  -1.105   3.297
   17    HA2  GLY   3          2HA       GLY   3 -11.045   1.344   4.552
   18    HA3  GLY   3          1HA       GLY   3 -10.795  -0.252   5.254
   19    H    LEU   4           H        LEU   4  -9.051  -1.303   3.345
   20    HA   LEU   4           HA       LEU   4  -6.553  -0.420   4.267
   21    HB2  LEU   4          2HB       LEU   4  -7.035  -2.676   3.438
   22    HB3  LEU   4          1HB       LEU   4  -7.357  -2.052   1.836
   23    HG   LEU   4           HG       LEU   4  -5.061  -3.204   2.419
   24   HD11  LEU   4          1HD1      LEU   4  -5.289  -0.681   0.779
   25   HD12  LEU   4          2HD1      LEU   4  -5.579  -2.324   0.241
   26   HD13  LEU   4          3HD1      LEU   4  -3.955  -1.818   0.686
   27   HD21  LEU   4          1HD2      LEU   4  -3.312  -1.803   3.167
   28   HD22  LEU   4          2HD2      LEU   4  -4.611  -1.558   4.319
   29   HD23  LEU   4          3HD2      LEU   4  -4.301  -0.360   3.073
   30    H    LEU   5           H        LEU   5  -8.290   0.202   1.250
   31    HA   LEU   5           HA       LEU   5  -6.298   1.792   0.039
   32    HB2  LEU   5          2HB       LEU   5  -9.292   1.701  -0.310
   33    HB3  LEU   5          1HB       LEU   5  -8.222   2.661  -1.332
   34    HG   LEU   5           HG       LEU   5  -7.958  -0.325  -0.914
   35   HD11  LEU   5          1HD1      LEU   5 -10.060   0.275  -2.108
   36   HD12  LEU   5          2HD1      LEU   5  -8.918  -0.549  -3.170
   37   HD13  LEU   5          3HD1      LEU   5  -9.115   1.200  -3.276
   38   HD21  LEU   5          1HD2      LEU   5  -5.850   0.326  -1.616
   39   HD22  LEU   5          2HD2      LEU   5  -6.447   1.760  -2.452
   40   HD23  LEU   5          3HD2      LEU   5  -6.631   0.168  -3.180
   41    H    ARG   6           H        ARG   6  -9.074   2.637   2.067
   42    HA   ARG   6           HA       ARG   6  -8.772   5.436   1.903
   43    HB2  ARG   6          2HB       ARG   6 -10.762   4.304   2.845
   44    HB3  ARG   6          1HB       ARG   6  -9.814   3.823   4.246
   45    HG2  ARG   6          2HG       ARG   6  -9.777   6.731   3.570
   46    HG3  ARG   6          1HG       ARG   6 -11.304   6.090   4.167
   47    HD2  ARG   6          2HD       ARG   6 -10.105   5.149   6.141
   48    HD3  ARG   6          1HD       ARG   6  -8.622   5.901   5.574
   49    HE   ARG   6           HE       ARG   6 -10.706   7.838   5.785
   50   HH11  ARG   6          1HH1      ARG   6 -10.546   9.322   7.502
   51   HH12  ARG   6          2HH1      ARG   6  -9.554   8.948   8.872
   52   HH21  ARG   6          1HH2      ARG   6  -8.546   5.867   7.614
   53   HH22  ARG   6          2HH2      ARG   6  -8.404   6.983   8.930
   54    H    PHE   7           H        PHE   7  -7.388   3.081   4.169
   55    HA   PHE   7           HA       PHE   7  -6.114   4.885   5.878
   56    HB2  PHE   7          2HB       PHE   7  -6.420   2.450   6.299
   57    HB3  PHE   7          1HB       PHE   7  -5.179   2.118   5.090
   58    HD1  PHE   7          1HD       PHE   7  -2.867   2.310   5.612
   59    HD2  PHE   7          2HD       PHE   7  -5.817   3.830   8.337
   60    HE1  PHE   7          1HE       PHE   7  -1.115   2.607   7.341
   61    HE2  PHE   7          2HE       PHE   7  -4.065   4.119  10.065
   62    HZ   PHE   7           HZ       PHE   7  -1.717   3.504   9.570
   63    H    LEU   8           H        LEU   8  -4.944   3.268   2.933
   64    HA   LEU   8           HA       LEU   8  -2.337   4.366   3.078
   65    HB2  LEU   8          2HB       LEU   8  -3.963   3.356   0.745
   66    HB3  LEU   8          1HB       LEU   8  -2.291   3.882   0.586
   67    HG   LEU   8           HG       LEU   8  -3.025   1.847   2.684
   68   HD11  LEU   8          1HD1      LEU   8  -2.684   0.046   1.107
   69   HD12  LEU   8          2HD1      LEU   8  -2.278   1.182  -0.177
   70   HD13  LEU   8          3HD1      LEU   8  -3.926   1.103   0.437
   71   HD21  LEU   8          1HD2      LEU   8  -0.509   1.808   1.038
   72   HD22  LEU   8          2HD2      LEU   8  -0.752   1.395   2.733
   73   HD23  LEU   8          3HD2      LEU   8  -0.683   3.076   2.244
   74    H    LEU   9           H        LEU   9  -5.300   5.538   1.510
   75    HA   LEU   9           HA       LEU   9  -4.157   7.763   0.194
   76    HB2  LEU   9          2HB       LEU   9  -6.406   6.889  -0.246
   77    HB3  LEU   9          1HB       LEU   9  -6.948   7.483   1.312
   78    HG   LEU   9           HG       LEU   9  -6.309   9.801   0.613
   79   HD11  LEU   9          1HD1      LEU   9  -4.678   9.655  -1.037
   80   HD12  LEU   9          2HD1      LEU   9  -6.102   9.922  -2.039
   81   HD13  LEU   9          3HD1      LEU   9  -5.458   8.290  -1.835
   82   HD21  LEU   9          1HD2      LEU   9  -8.213   8.362  -1.269
   83   HD22  LEU   9          2HD2      LEU   9  -8.183  10.102  -0.976
   84   HD23  LEU   9          3HD2      LEU   9  -8.629   8.998   0.323
   85    H    SER  10           H        SER  10  -5.623   7.453   3.426
   86    HA   SER  10           HA       SER  10  -5.460  10.175   4.129
   87    HB2  SER  10          2HB       SER  10  -6.765   8.516   5.424
   88    HB3  SER  10          1HB       SER  10  -5.264   7.749   5.933
   89    HG   SER  10           HG       SER  10  -5.526   9.138   7.522
   90    H    LYS  11           H        LYS  11  -3.132   7.499   4.426
   91    HA   LYS  11           HA       LYS  11  -1.212   9.081   5.878
   92    HB2  LYS  11          2HB       LYS  11  -0.897   6.533   4.285
   93    HB3  LYS  11          1HB       LYS  11   0.365   7.234   5.293
   94    HG2  LYS  11          2HG       LYS  11  -2.381   6.467   6.329
   95    HG3  LYS  11          1HG       LYS  11  -0.970   5.412   6.426
   96    HD2  LYS  11          2HD       LYS  11   0.169   7.483   7.574
   97    HD3  LYS  11          1HD       LYS  11  -1.486   8.017   7.851
   98    HE2  LYS  11          2HE       LYS  11  -0.471   5.284   8.649
   99    HE3  LYS  11          1HE       LYS  11  -0.516   6.674   9.738
  100    HZ1  LYS  11          1HZ       LYS  11  -2.490   5.234   9.905
  101    HZ2  LYS  11          2HZ       LYS  11  -2.877   5.604   8.295
  102    HZ3  LYS  11          3HZ       LYS  11  -2.872   6.829   9.472
  103    H    GLY  12           H        GLY  12  -1.551   8.234   2.452
  104    HA2  GLY  12          2HA       GLY  12  -0.245  10.644   1.629
  105    HA3  GLY  12          1HA       GLY  12   0.783   9.235   1.406
  106    H    ARG  13           H        ARG  13  -0.263  10.929  -0.654
  107    HA   ARG  13           HA       ARG  13  -2.441   9.592  -1.984
  108    HB2  ARG  13          2HB       ARG  13  -0.491  11.755  -2.792
  109    HB3  ARG  13          1HB       ARG  13  -1.729  11.134  -3.887
  110    HG2  ARG  13          2HG       ARG  13  -3.468  11.722  -2.212
  111    HG3  ARG  13          1HG       ARG  13  -2.212  12.373  -1.160
  112    HD2  ARG  13          2HD       ARG  13  -1.596  14.003  -2.922
  113    HD3  ARG  13          1HD       ARG  13  -2.888  13.374  -3.942
  114    HE   ARG  13           HE       ARG  13  -3.208  15.060  -1.576
  115   HH11  ARG  13          1HH1      ARG  13  -5.335  15.870  -1.290
  116   HH12  ARG  13          2HH1      ARG  13  -6.636  15.196  -2.216
  117   HH21  ARG  13          1HH2      ARG  13  -4.601  12.913  -3.885
  118   HH22  ARG  13          2HH2      ARG  13  -6.218  13.503  -3.690
  119    H    ALA  14           H        ALA  14   1.036   9.571  -2.041
  120    HA   ALA  14           HA       ALA  14   1.474   8.205  -4.440
  121    HB1  ALA  14          1HB       ALA  14   3.407   9.107  -3.576
  122    HB2  ALA  14          2HB       ALA  14   3.608   7.436  -3.055
  123    HB3  ALA  14          3HB       ALA  14   3.004   8.648  -1.925
  124    H    LEU  15           H        LEU  15   1.008   6.964  -1.140
  125    HA   LEU  15           HA       LEU  15   1.448   4.246  -1.699
  126    HB2  LEU  15          2HB       LEU  15  -0.478   5.389   0.324
  127    HB3  LEU  15          1HB       LEU  15   0.353   3.839   0.384
  128    HG   LEU  15           HG       LEU  15   1.803   6.494   0.359
  129   HD11  LEU  15          1HD1      LEU  15   2.158   5.902   2.842
  130   HD12  LEU  15          2HD1      LEU  15   0.784   4.813   2.652
  131   HD13  LEU  15          3HD1      LEU  15   0.586   6.546   2.385
  132   HD21  LEU  15          1HD2      LEU  15   3.557   4.898   1.458
  133   HD22  LEU  15          2HD2      LEU  15   3.335   4.835  -0.285
  134   HD23  LEU  15          3HD2      LEU  15   2.594   3.608   0.739
  135    H    TYR  16           H        TYR  16  -1.493   6.238  -1.789
  136    HA   TYR  16           HA       TYR  16  -3.353   4.184  -2.337
  137    HB2  TYR  16          2HB       TYR  16  -4.104   6.391  -1.649
  138    HB3  TYR  16          1HB       TYR  16  -3.423   7.110  -3.109
  139    HD1  TYR  16          1HD       TYR  16  -4.680   7.187  -5.114
  140    HD2  TYR  16          2HD       TYR  16  -5.892   4.564  -1.934
  141    HE1  TYR  16          1HE       TYR  16  -6.779   6.680  -6.330
  142    HE2  TYR  16          2HE       TYR  16  -7.993   4.065  -3.151
  143    HH   TYR  16           HH       TYR  16  -8.448   4.798  -6.392
  144    H    ASN  17           H        ASN  17  -1.505   6.315  -4.480
  145    HA   ASN  17           HA       ASN  17  -2.595   5.409  -6.912
  146    HB2  ASN  17          2HB       ASN  17  -1.256   7.464  -6.758
  147    HB3  ASN  17          1HB       ASN  17   0.173   6.514  -6.356
  148   HD21  ASN  17          1HD2      ASN  17   0.280   8.145  -8.636
  149   HD22  ASN  17          2HD2      ASN  17   0.254   7.173 -10.028
  150    H    TRP  18           H        TRP  18   0.225   4.292  -5.052
  151    HA   TRP  18           HA       TRP  18   1.138   2.373  -6.886
  152    HB2  TRP  18          2HB       TRP  18   2.536   3.024  -5.049
  153    HB3  TRP  18          1HB       TRP  18   1.315   2.528  -3.875
  154    HD1  TRP  18           HD       TRP  18   1.133   0.034  -3.264
  155    HE1  TRP  18          1HE       TRP  18   2.542  -2.047  -3.821
  156    HE3  TRP  18          3HE       TRP  18   4.049   1.919  -6.995
  157    HZ2  TRP  18          2HZ       TRP  18   4.628  -2.813  -5.601
  158    HZ3  TRP  18          3HZ       TRP  18   5.742   0.493  -8.103
  159    HH2  TRP  18           HH       TRP  18   6.036  -1.871  -7.412
  160    H    ALA  19           H        ALA  19  -1.179   2.101  -4.198
  161    HA   ALA  19           HA       ALA  19  -1.613  -0.676  -4.391
  162    HB1  ALA  19          1HB       ALA  19  -3.880  -0.071  -3.321
  163    HB2  ALA  19          2HB       ALA  19  -3.284   1.590  -3.314
  164    HB3  ALA  19          3HB       ALA  19  -2.417   0.339  -2.424
  165    H    LYS  20           H        LYS  20  -3.226   2.058  -5.945
  166    HA   LYS  20           HA       LYS  20  -5.266   0.576  -7.232
  167    HB2  LYS  20          2HB       LYS  20  -5.264   3.061  -6.945
  168    HB3  LYS  20          1HB       LYS  20  -3.985   3.160  -8.159
  169    HG2  LYS  20          2HG       LYS  20  -5.436   2.141  -9.834
  170    HG3  LYS  20          1HG       LYS  20  -6.701   1.901  -8.629
  171    HD2  LYS  20          2HD       LYS  20  -6.853   4.344  -8.299
  172    HD3  LYS  20          1HD       LYS  20  -5.609   4.586  -9.527
  173    HE2  LYS  20          2HE       LYS  20  -8.275   3.216  -9.991
  174    HE3  LYS  20          1HE       LYS  20  -7.897   4.874 -10.455
  175    HZ1  LYS  20          1HZ       LYS  20  -6.901   2.352 -11.578
  176    HZ2  LYS  20          2HZ       LYS  20  -5.900   3.723 -11.637
  177    HZ3  LYS  20          3HZ       LYS  20  -7.429   3.752 -12.376
  178    H    SER  21           H        SER  21  -2.033   1.608  -8.274
  179    HA   SER  21           HA       SER  21  -2.155   0.691 -10.916
  180    HB2  SER  21          2HB       SER  21  -0.409   2.174 -10.426
  181    HB3  SER  21          1HB       SER  21   0.134   1.226  -9.044
  182    HG   SER  21           HG       SER  21   0.250  -0.428 -11.021
  183    H    HIS  22           H        HIS  22  -1.049  -0.959  -7.952
  184    HA   HIS  22           HA       HIS  22  -1.061  -3.492  -9.514
  185    HB2  HIS  22          2HB       HIS  22   0.878  -2.571  -7.385
  186    HB3  HIS  22          1HB       HIS  22   0.712  -4.261  -7.870
  187    HD1  HIS  22          1HD       HIS  22   1.723  -0.887  -9.221
  188    HD2  HIS  22          2HD       HIS  22   1.816  -4.883 -10.400
  189    HE1  HIS  22          1HE       HIS  22   3.150  -0.983 -11.309
  190    HE2  HIS  22          2HE       HIS  22   3.212  -3.413 -12.045
  191    H    VAL  23           H        VAL  23  -3.224  -3.850  -8.862
  192    HA   VAL  23           HA       VAL  23  -4.065  -3.860  -6.151
  193    HB   VAL  23           HB       VAL  23  -5.979  -5.203  -6.973
  194   HG11  VAL  23          1HG1      VAL  23  -6.610  -3.545  -8.849
  195   HG12  VAL  23          2HG1      VAL  23  -5.040  -2.805  -8.536
  196   HG13  VAL  23          3HG1      VAL  23  -6.253  -2.877  -7.258
  197   HG21  VAL  23          1HG2      VAL  23  -4.348  -5.227  -9.533
  198   HG22  VAL  23          2HG2      VAL  23  -6.046  -5.699  -9.433
  199   HG23  VAL  23          3HG2      VAL  23  -4.821  -6.630  -8.572
  200    H    GLY  24           H        GLY  24  -2.277  -6.018  -8.116
  201    HA2  GLY  24          2HA       GLY  24  -2.699  -8.454  -6.746
  202    HA3  GLY  24          1HA       GLY  24  -1.293  -8.060  -7.737
  203    H    LYS  25           H        LYS  25  -0.357  -5.795  -6.257
  204    HA   LYS  25           HA       LYS  25   1.194  -7.070  -4.272
  205    HB2  LYS  25          2HB       LYS  25   0.574  -4.133  -4.697
  206    HB3  LYS  25          1HB       LYS  25   1.811  -4.742  -3.599
  207    HG2  LYS  25          2HG       LYS  25   1.843  -5.679  -6.448
  208    HG3  LYS  25          1HG       LYS  25   2.435  -4.055  -6.092
  209    HD2  LYS  25          2HD       LYS  25   4.075  -4.922  -4.539
  210    HD3  LYS  25          1HD       LYS  25   3.390  -6.545  -4.652
  211    HE2  LYS  25          2HE       LYS  25   5.392  -6.406  -6.045
  212    HE3  LYS  25          1HE       LYS  25   3.969  -6.590  -7.071
  213    HZ1  LYS  25          1HZ       LYS  25   4.972  -4.848  -8.104
  214    HZ2  LYS  25          2HZ       LYS  25   5.696  -4.259  -6.685
  215    HZ3  LYS  25          3HZ       LYS  25   4.046  -3.979  -6.981
  216    H    VAL  26           H        VAL  26  -1.741  -5.109  -4.102
  217    HA   VAL  26           HA       VAL  26  -1.967  -4.867  -1.319
  218    HB   VAL  26           HB       VAL  26  -4.050  -4.925  -3.506
  219   HG11  VAL  26          1HG1      VAL  26  -4.299  -4.391  -0.541
  220   HG12  VAL  26          2HG1      VAL  26  -5.270  -5.474  -1.540
  221   HG13  VAL  26          3HG1      VAL  26  -5.442  -3.726  -1.706
  222   HG21  VAL  26          1HG2      VAL  26  -3.066  -2.582  -1.869
  223   HG22  VAL  26          2HG2      VAL  26  -3.945  -2.550  -3.397
  224   HG23  VAL  26          3HG2      VAL  26  -2.262  -3.073  -3.361
  225    H    TRP  27           H        TRP  27  -3.271  -7.231  -3.567
  226    HA   TRP  27           HA       TRP  27  -4.656  -8.817  -1.700
  227    HB2  TRP  27          2HB       TRP  27  -3.506  -9.360  -4.430
  228    HB3  TRP  27          1HB       TRP  27  -4.280 -10.639  -3.494
  229    HD1  TRP  27           HD       TRP  27  -5.357  -6.943  -3.714
  230    HE1  TRP  27          1HE       TRP  27  -7.782  -6.861  -4.590
  231    HE3  TRP  27          3HE       TRP  27  -6.143 -11.905  -4.644
  232    HZ2  TRP  27          2HZ       TRP  27  -9.791  -8.654  -5.542
  233    HZ3  TRP  27          3HZ       TRP  27  -8.327 -12.689  -5.525
  234    HH2  TRP  27           HH       TRP  27 -10.152 -11.069  -5.974
  235    H    GLU  28           H        GLU  28  -1.341  -9.037  -2.965
  236    HA   GLU  28           HA       GLU  28  -0.554 -11.404  -1.731
  237    HB2  GLU  28          2HB       GLU  28   0.615  -9.856  -3.492
  238    HB3  GLU  28          1HB       GLU  28   1.346  -9.111  -2.072
  239    HG2  GLU  28          2HG       GLU  28   1.427 -12.075  -2.693
  240    HG3  GLU  28          1HG       GLU  28   2.744 -10.940  -3.012
  241    H    TRP  29           H        TRP  29  -0.287  -8.033  -0.522
  242    HA   TRP  29           HA       TRP  29   1.040  -8.802   1.878
  243    HB2  TRP  29          2HB       TRP  29  -0.713  -6.371   1.644
  244    HB3  TRP  29          1HB       TRP  29   0.666  -6.616   2.707
  245    HD1  TRP  29           HD       TRP  29  -0.128  -4.636  -0.024
  246    HE1  TRP  29          1HE       TRP  29   1.833  -4.150  -1.614
  247    HE3  TRP  29          3HE       TRP  29   3.188  -8.214   1.519
  248    HZ2  TRP  29          2HZ       TRP  29   4.453  -5.120  -2.147
  249    HZ3  TRP  29          3HZ       TRP  29   5.398  -8.391   0.455
  250    HH2  TRP  29           HH       TRP  29   6.040  -6.858  -1.374
  251    H    LEU  30           H        LEU  30  -2.382  -8.393   1.057
  252    HA   LEU  30           HA       LEU  30  -3.327  -8.703   3.722
  253    HB2  LEU  30          2HB       LEU  30  -4.569  -8.901   1.011
  254    HB3  LEU  30          1HB       LEU  30  -5.441  -9.628   2.356
  255    HG   LEU  30           HG       LEU  30  -5.187  -7.412   3.579
  256   HD11  LEU  30          1HD1      LEU  30  -4.648  -6.234   0.862
  257   HD12  LEU  30          2HD1      LEU  30  -3.313  -6.695   1.911
  258   HD13  LEU  30          3HD1      LEU  30  -4.466  -5.487   2.445
  259   HD21  LEU  30          1HD2      LEU  30  -7.078  -6.435   2.440
  260   HD22  LEU  30          2HD2      LEU  30  -7.244  -8.189   2.359
  261   HD23  LEU  30          3HD2      LEU  30  -6.684  -7.288   0.948
  262    H    LYS  31           H        LYS  31  -2.719 -11.076   1.132
  263    HA   LYS  31           HA       LYS  31  -3.664 -13.309   2.576
  264    HB2  LYS  31          2HB       LYS  31  -1.602 -13.052   0.386
  265    HB3  LYS  31          1HB       LYS  31  -2.166 -14.599   1.014
  266    HG2  LYS  31          2HG       LYS  31  -4.485 -14.020   0.408
  267    HG3  LYS  31          1HG       LYS  31  -3.942 -12.454  -0.197
  268    HD2  LYS  31          2HD       LYS  31  -2.489 -13.628  -1.845
  269    HD3  LYS  31          1HD       LYS  31  -3.133 -15.170  -1.277
  270    HE2  LYS  31          2HE       LYS  31  -4.839 -12.922  -2.385
  271    HE3  LYS  31          1HE       LYS  31  -4.294 -14.312  -3.328
  272    HZ1  LYS  31          1HZ       LYS  31  -6.230 -15.171  -2.593
  273    HZ2  LYS  31          2HZ       LYS  31  -6.301 -14.163  -1.228
  274    HZ3  LYS  31          3HZ       LYS  31  -5.310 -15.542  -1.218
  275    H    SER  32           H        SER  32  -0.429 -11.832   2.346
  276    HA   SER  32           HA       SER  32   0.942 -13.737   3.897
  277    HB2  SER  32          2HB       SER  32   2.081 -12.074   2.513
  278    HB3  SER  32          1HB       SER  32   1.497 -10.784   3.562
  279    HG   SER  32           HG       SER  32   3.617 -11.472   4.110
  280    H    GLY  33           H        GLY  33  -0.760 -10.759   4.836
  281    HA2  GLY  33          2HA       GLY  33  -1.945 -10.702   6.961
  282    HA3  GLY  33          1HA       GLY  33  -0.664 -11.697   7.651
  283    H    ALA  34           H        ALA  34   0.534  -9.359   5.524
  284    HA   ALA  34           HA       ALA  34   1.970  -7.983   7.540
  285    HB1  ALA  34          1HB       ALA  34   1.525  -7.575   4.600
  286    HB2  ALA  34          2HB       ALA  34   3.019  -7.935   5.463
  287    HB3  ALA  34          3HB       ALA  34   2.323  -6.317   5.547
  288    H    THR  35           H        THR  35   1.758  -5.807   8.254
  289    HA   THR  35           HA       THR  35  -1.013  -4.984   8.552
  290    HB   THR  35           HB       THR  35  -0.133  -3.334  10.128
  291    HG1  THR  35          1HG       THR  35   2.035  -3.078  10.363
  292   HG21  THR  35          1HG2      THR  35  -0.495  -5.545  11.036
  293   HG22  THR  35          2HG2      THR  35   1.031  -4.946  11.690
  294   HG23  THR  35          3HG2      THR  35   1.035  -6.116  10.371
  295    H    TYR  36           H        TYR  36  -1.658  -2.746   8.243
  296    HA   TYR  36           HA       TYR  36  -1.175  -1.838   5.620
  297    HB2  TYR  36          2HB       TYR  36  -2.199  -0.050   7.800
  298    HB3  TYR  36          1HB       TYR  36  -2.646  -0.082   6.094
  299    HD1  TYR  36          1HD       TYR  36  -3.196  -2.905   5.528
  300    HD2  TYR  36          2HD       TYR  36  -4.053  -0.597   9.048
  301    HE1  TYR  36          1HE       TYR  36  -5.072  -4.439   6.086
  302    HE2  TYR  36          2HE       TYR  36  -5.915  -2.125   9.604
  303    HH   TYR  36           HH       TYR  36  -6.293  -5.080   8.441
  304    H    GLU  37           H        GLU  37   0.143  -0.811   8.723
  305    HA   GLU  37           HA       GLU  37   1.526   1.447   7.787
  306    HB2  GLU  37          2HB       GLU  37   2.035  -0.393  10.110
  307    HB3  GLU  37          1HB       GLU  37   2.928   1.107   9.833
  308    HG2  GLU  37          2HG       GLU  37   0.856   2.397   9.926
  309    HG3  GLU  37          1HG       GLU  37  -0.083   0.911  10.099
  310    H    GLN  38           H        GLN  38   2.671  -1.879   8.376
  311    HA   GLN  38           HA       GLN  38   5.301  -1.457   7.518
  312    HB2  GLN  38          2HB       GLN  38   4.500  -3.443   8.723
  313    HB3  GLN  38          1HB       GLN  38   3.677  -3.993   7.270
  314    HG2  GLN  38          2HG       GLN  38   5.845  -4.048   6.080
  315    HG3  GLN  38          1HG       GLN  38   6.664  -3.532   7.552
  316   HE21  GLN  38          1HE2      GLN  38   7.604  -5.244   8.591
  317   HE22  GLN  38          2HE2      GLN  38   6.986  -6.821   8.655
  318    H    ILE  39           H        ILE  39   2.401  -2.333   5.646
  319    HA   ILE  39           HA       ILE  39   3.821  -2.792   3.237
  320    HB   ILE  39           HB       ILE  39   0.923  -2.025   3.584
  321   HG12  ILE  39          2HG1      ILE  39   1.991  -4.799   3.111
  322   HG13  ILE  39          1HG1      ILE  39   1.982  -4.155   4.738
  323   HG21  ILE  39          1HG2      ILE  39   2.224  -3.563   1.327
  324   HG22  ILE  39          2HG2      ILE  39   1.952  -1.824   1.238
  325   HG23  ILE  39          3HG2      ILE  39   0.581  -2.926   1.394
  326   HD11  ILE  39          1HD1      ILE  39  -0.480  -3.634   4.430
  327   HD12  ILE  39          2HD1      ILE  39  -0.109  -5.349   4.415
  328   HD13  ILE  39          3HD1      ILE  39  -0.406  -4.495   2.902
  329    H    LYS  40           H        LYS  40   2.264   0.240   4.496
  330    HA   LYS  40           HA       LYS  40   2.897   1.611   2.059
  331    HB2  LYS  40          2HB       LYS  40   2.747   3.741   3.250
  332    HB3  LYS  40          1HB       LYS  40   1.299   2.737   3.510
  333    HG2  LYS  40          2HG       LYS  40   2.103   2.100   5.707
  334    HG3  LYS  40          1HG       LYS  40   3.640   2.912   5.437
  335    HD2  LYS  40          2HD       LYS  40   2.384   5.064   5.145
  336    HD3  LYS  40          1HD       LYS  40   0.908   4.216   5.608
  337    HE2  LYS  40          2HE       LYS  40   1.824   3.712   7.799
  338    HE3  LYS  40          1HE       LYS  40   3.394   4.351   7.338
  339    HZ1  LYS  40          1HZ       LYS  40   1.318   5.747   8.490
  340    HZ2  LYS  40          2HZ       LYS  40   1.338   6.256   6.869
  341    HZ3  LYS  40          3HZ       LYS  40   2.736   6.399   7.827
  342    H    GLU  41           H        GLU  41   4.601   0.959   5.066
  343    HA   GLU  41           HA       GLU  41   6.704   2.735   4.748
  344    HB2  GLU  41          2HB       GLU  41   6.328   1.409   6.755
  345    HB3  GLU  41          1HB       GLU  41   6.812  -0.043   5.873
  346    HG2  GLU  41          2HG       GLU  41   9.029   0.924   5.453
  347    HG3  GLU  41          1HG       GLU  41   8.560   2.407   6.275
  348    H    TRP  42           H        TRP  42   6.418  -0.631   3.570
  349    HA   TRP  42           HA       TRP  42   8.914  -0.685   2.231
  350    HB2  TRP  42          2HB       TRP  42   6.326  -2.116   1.604
  351    HB3  TRP  42          1HB       TRP  42   7.866  -2.472   0.836
  352    HD1  TRP  42           HD       TRP  42   9.639  -2.306   3.619
  353    HE1  TRP  42          1HE       TRP  42   9.451  -4.289   5.253
  354    HE3  TRP  42          3HE       TRP  42   5.198  -4.304   2.086
  355    HZ2  TRP  42          2HZ       TRP  42   7.645  -6.457   5.836
  356    HZ3  TRP  42          3HZ       TRP  42   4.255  -6.309   3.196
  357    HH2  TRP  42           HH       TRP  42   5.470  -7.390   5.070
  358    H    ILE  43           H        ILE  43   5.656   0.251   1.166
  359    HA   ILE  43           HA       ILE  43   6.324   0.646  -1.542
  360    HB   ILE  43           HB       ILE  43   4.168   1.871   0.174
  361   HG12  ILE  43          2HG1      ILE  43   4.013  -0.260  -1.973
  362   HG13  ILE  43          1HG1      ILE  43   4.171  -0.627  -0.253
  363   HG21  ILE  43          1HG2      ILE  43   4.494   3.379  -1.685
  364   HG22  ILE  43          2HG2      ILE  43   3.080   2.388  -2.049
  365   HG23  ILE  43          3HG2      ILE  43   4.627   2.033  -2.816
  366   HD11  ILE  43          1HD1      ILE  43   2.079   0.451   0.246
  367   HD12  ILE  43          2HD1      ILE  43   1.789  -0.618  -1.128
  368   HD13  ILE  43          3HD1      ILE  43   1.966   1.117  -1.382
  369    H    GLU  44           H        GLU  44   6.305   3.004   1.140
  370    HA   GLU  44           HA       GLU  44   7.009   5.136  -0.553
  371    HB2  GLU  44          2HB       GLU  44   7.195   6.486   1.417
  372    HB3  GLU  44          1HB       GLU  44   5.788   5.432   1.583
  373    HG2  GLU  44          2HG       GLU  44   6.588   4.597   3.513
  374    HG3  GLU  44          1HG       GLU  44   8.072   4.073   2.715
  375    H    ASN  45           H        ASN  45   8.938   2.832   1.350
  376    HA   ASN  45           HA       ASN  45  11.398   4.177   1.050
  377    HB2  ASN  45          2HB       ASN  45  10.621   1.298   1.492
  378    HB3  ASN  45          1HB       ASN  45  12.307   1.753   1.252
  379   HD21  ASN  45          1HD2      ASN  45  12.123   4.334   2.636
  380   HD22  ASN  45          2HD2      ASN  45  11.952   3.985   4.287
  381    H    ALA  46           H        ALA  46   9.704   1.786  -0.991
  382    HA   ALA  46           HA       ALA  46  11.781   1.484  -2.886
  383    HB1  ALA  46          1HB       ALA  46   8.789   1.235  -3.294
  384    HB2  ALA  46          2HB       ALA  46   9.869  -0.062  -2.778
  385    HB3  ALA  46          3HB       ALA  46  10.031   0.634  -4.389
  386    H    LEU  47           H        LEU  47   9.025   3.690  -2.661
  387    HA   LEU  47           HA       LEU  47   9.321   4.949  -5.141
  388    HB2  LEU  47          2HB       LEU  47   7.451   5.076  -3.325
  389    HB3  LEU  47          1HB       LEU  47   8.398   6.419  -2.698
  390    HG   LEU  47           HG       LEU  47   7.423   6.231  -5.570
  391   HD11  LEU  47          1HD1      LEU  47   6.325   7.652  -3.137
  392   HD12  LEU  47          2HD1      LEU  47   5.495   6.479  -4.161
  393   HD13  LEU  47          3HD1      LEU  47   5.871   8.085  -4.783
  394   HD21  LEU  47          1HD2      LEU  47   9.183   7.738  -5.693
  395   HD22  LEU  47          2HD2      LEU  47   9.056   8.187  -3.994
  396   HD23  LEU  47          3HD2      LEU  47   7.916   8.847  -5.169
  397    H    GLY  48           H        GLY  48  10.754   5.757  -1.958
  398    HA2  GLY  48          2HA       GLY  48  12.070   8.124  -2.777
  399    HA3  GLY  48          1HA       GLY  48  12.539   7.117  -1.403
  400    H    TRP  49           H        TRP  49  13.063   4.718  -2.744
  401    HA   TRP  49           HA       TRP  49  15.346   5.411  -4.516
  402    HB2  TRP  49          2HB       TRP  49  15.208   3.395  -2.265
  403    HB3  TRP  49          1HB       TRP  49  16.499   3.420  -3.468
  404    HD1  TRP  49           HD       TRP  49  15.330   5.086  -0.321
  405    HE1  TRP  49          1HE       TRP  49  16.961   6.971   0.329
  406    HE3  TRP  49          3HE       TRP  49  18.179   5.317  -4.568
  407    HZ2  TRP  49          2HZ       TRP  49  19.170   8.385  -0.786
  408    HZ3  TRP  49          3HZ       TRP  49  20.040   6.949  -4.737
  409    HH2  TRP  49           HH       TRP  49  20.537   8.480  -2.852
  410    H    ARG  50           H        ARG  50  15.042   4.579  -6.491
  411    HA   ARG  50           HA       ARG  50  14.297   3.224  -8.194
  412    HB2  ARG  50          2HB       ARG  50  15.938   1.717  -7.118
  413    HB3  ARG  50          1HB       ARG  50  14.653   1.069  -6.098
  414    HG2  ARG  50          2HG       ARG  50  13.415   0.364  -8.129
  415    HG3  ARG  50          1HG       ARG  50  14.733   0.979  -9.127
  416    HD2  ARG  50          2HD       ARG  50  16.290  -0.572  -7.928
  417    HD3  ARG  50          1HD       ARG  50  14.899  -1.258  -7.092
  418    HE   ARG  50           HE       ARG  50  14.594  -1.268  -9.959
  419   HH11  ARG  50          1HH1      ARG  50  14.635  -3.316 -10.964
  420   HH12  ARG  50          2HH1      ARG  50  15.244  -4.685 -10.095
  421   HH21  ARG  50          1HH2      ARG  50  15.994  -2.886  -7.234
  422   HH22  ARG  50          2HH2      ARG  50  16.006  -4.442  -7.994
  Start of MODEL    8
    1    H    FME   1           H        FME   1 -11.754  -5.023   0.075
    2    HCN  FME   1           HF       FME   1 -12.849  -5.310   2.120
    3    HA   FME   1           HA       FME   1  -9.456  -4.094   1.564
    4    HB2  FME   1          1HB       FME   1  -9.336  -5.378  -0.611
    5    HB3  FME   1          2HB       FME   1  -8.370  -3.904  -0.557
    6    HG2  FME   1          1HG       FME   1  -9.804  -2.755  -1.992
    7    HG3  FME   1          2HG       FME   1 -11.190  -3.765  -1.577
    8    HE1  FME   1          1HE       FME   1  -7.482  -5.014  -2.597
    9    HE2  FME   1          2HE       FME   1  -7.848  -3.416  -3.242
   10    HE3  FME   1          3HE       FME   1  -7.675  -4.784  -4.340
   11    H    ALA   2           H        ALA   2 -12.319  -2.679   0.987
   12    HA   ALA   2           HA       ALA   2 -11.679  -0.135  -0.072
   13    HB1  ALA   2          1HB       ALA   2 -13.991  -1.078   0.220
   14    HB2  ALA   2          2HB       ALA   2 -13.808   0.575   0.807
   15    HB3  ALA   2          3HB       ALA   2 -13.839  -0.771   1.948
   16    H    GLY   3           H        GLY   3 -11.771  -1.375   3.266
   17    HA2  GLY   3          2HA       GLY   3 -11.197   1.092   4.539
   18    HA3  GLY   3          1HA       GLY   3 -10.922  -0.506   5.231
   19    H    LEU   4           H        LEU   4  -9.173  -1.476   3.246
   20    HA   LEU   4           HA       LEU   4  -6.669  -0.646   4.191
   21    HB2  LEU   4          2HB       LEU   4  -7.247  -2.851   3.198
   22    HB3  LEU   4          1HB       LEU   4  -7.449  -2.089   1.636
   23    HG   LEU   4           HG       LEU   4  -5.215  -3.361   2.292
   24   HD11  LEU   4          1HD1      LEU   4  -5.640  -0.914   0.636
   25   HD12  LEU   4          2HD1      LEU   4  -5.275  -2.567   0.142
   26   HD13  LEU   4          3HD1      LEU   4  -4.006  -1.547   0.811
   27   HD21  LEU   4          1HD2      LEU   4  -4.577  -0.556   3.222
   28   HD22  LEU   4          2HD2      LEU   4  -3.475  -1.920   3.144
   29   HD23  LEU   4          3HD2      LEU   4  -4.809  -1.929   4.293
   30    H    LEU   5           H        LEU   5  -8.408   0.110   1.194
   31    HA   LEU   5           HA       LEU   5  -6.426   1.766   0.036
   32    HB2  LEU   5          2HB       LEU   5  -9.427   1.684  -0.309
   33    HB3  LEU   5          1HB       LEU   5  -8.353   2.662  -1.299
   34    HG   LEU   5           HG       LEU   5  -8.090  -0.337  -0.981
   35   HD11  LEU   5          1HD1      LEU   5  -9.453   1.344  -3.094
   36   HD12  LEU   5          2HD1      LEU   5 -10.158   0.049  -2.125
   37   HD13  LEU   5          3HD1      LEU   5  -8.969  -0.329  -3.371
   38   HD21  LEU   5          1HD2      LEU   5  -5.992   0.379  -1.710
   39   HD22  LEU   5          2HD2      LEU   5  -6.651   1.785  -2.545
   40   HD23  LEU   5          3HD2      LEU   5  -6.811   0.180  -3.255
   41    H    ARG   6           H        ARG   6  -9.203   2.472   2.125
   42    HA   ARG   6           HA       ARG   6  -9.015   5.279   2.051
   43    HB2  ARG   6          2HB       ARG   6 -10.940   4.020   2.980
   44    HB3  ARG   6          1HB       ARG   6  -9.937   3.527   4.343
   45    HG2  ARG   6          2HG       ARG   6  -9.986   6.462   3.809
   46    HG3  ARG   6          1HG       ARG   6 -11.517   5.772   4.332
   47    HD2  ARG   6          2HD       ARG   6 -10.376   4.762   6.293
   48    HD3  ARG   6          1HD       ARG   6  -8.866   5.512   5.783
   49    HE   ARG   6           HE       ARG   6 -10.951   7.453   6.034
   50   HH11  ARG   6          1HH1      ARG   6 -10.809   8.886   7.784
   51   HH12  ARG   6          2HH1      ARG   6  -9.814   8.493   9.146
   52   HH21  ARG   6          1HH2      ARG   6  -8.727   5.477   7.815
   53   HH22  ARG   6          2HH2      ARG   6  -8.636   6.561   9.163
   54    H    PHE   7           H        PHE   7  -7.538   2.897   4.229
   55    HA   PHE   7           HA       PHE   7  -6.270   4.679   5.973
   56    HB2  PHE   7          2HB       PHE   7  -6.553   2.215   6.316
   57    HB3  PHE   7          1HB       PHE   7  -5.299   1.947   5.107
   58    HD1  PHE   7          1HD       PHE   7  -2.985   2.305   5.596
   59    HD2  PHE   7          2HD       PHE   7  -6.005   3.378   8.455
   60    HE1  PHE   7          1HE       PHE   7  -1.236   2.621   7.325
   61    HE2  PHE   7          2HE       PHE   7  -4.255   3.696  10.185
   62    HZ   PHE   7           HZ       PHE   7  -1.871   3.313   9.619
   63    H    LEU   8           H        LEU   8  -5.115   3.167   2.953
   64    HA   LEU   8           HA       LEU   8  -2.511   4.257   3.126
   65    HB2  LEU   8          2HB       LEU   8  -4.148   3.332   0.770
   66    HB3  LEU   8          1HB       LEU   8  -2.478   3.873   0.610
   67    HG   LEU   8           HG       LEU   8  -3.202   1.752   2.629
   68   HD11  LEU   8          1HD1      LEU   8  -2.819   1.475  -0.348
   69   HD12  LEU   8          2HD1      LEU   8  -4.108   0.809   0.657
   70   HD13  LEU   8          3HD1      LEU   8  -2.476   0.142   0.752
   71   HD21  LEU   8          1HD2      LEU   8  -0.911   1.181   2.537
   72   HD22  LEU   8          2HD2      LEU   8  -0.849   2.931   2.388
   73   HD23  LEU   8          3HD2      LEU   8  -0.690   1.924   0.957
   74    H    LEU   9           H        LEU   9  -5.479   5.475   1.677
   75    HA   LEU   9           HA       LEU   9  -4.359   7.765   0.453
   76    HB2  LEU   9          2HB       LEU   9  -6.604   6.851   0.007
   77    HB3  LEU   9          1HB       LEU   9  -7.132   7.396   1.587
   78    HG   LEU   9           HG       LEU   9  -6.514   9.728   0.957
   79   HD11  LEU   9          1HD1      LEU   9  -6.354   9.912  -1.709
   80   HD12  LEU   9          2HD1      LEU   9  -5.646   8.307  -1.531
   81   HD13  LEU   9          3HD1      LEU   9  -4.918   9.688  -0.712
   82   HD21  LEU   9          1HD2      LEU   9  -8.462   8.299  -0.883
   83   HD22  LEU   9          2HD2      LEU   9  -8.398  10.048  -0.659
   84   HD23  LEU   9          3HD2      LEU   9  -8.832   9.001   0.692
   85    H    SER  10           H        SER  10  -5.840   7.279   3.649
   86    HA   SER  10           HA       SER  10  -5.712   9.930   4.543
   87    HB2  SER  10          2HB       SER  10  -6.983   8.195   5.719
   88    HB3  SER  10          1HB       SER  10  -5.486   7.366   6.138
   89    HG   SER  10           HG       SER  10  -5.028   9.708   6.980
   90    H    LYS  11           H        LYS  11  -3.326   7.309   4.681
   91    HA   LYS  11           HA       LYS  11  -1.446   8.829   6.224
   92    HB2  LYS  11          2HB       LYS  11  -1.107   6.374   4.493
   93    HB3  LYS  11          1HB       LYS  11   0.199   7.081   5.436
   94    HG2  LYS  11          2HG       LYS  11  -2.429   6.211   6.669
   95    HG3  LYS  11          1HG       LYS  11  -1.029   5.151   6.543
   96    HD2  LYS  11          2HD       LYS  11   0.272   7.054   7.728
   97    HD3  LYS  11          1HD       LYS  11  -1.318   7.681   8.164
   98    HE2  LYS  11          2HE       LYS  11  -1.901   5.629   9.291
   99    HE3  LYS  11          1HE       LYS  11  -0.426   4.846   8.727
  100    HZ1  LYS  11          1HZ       LYS  11  -0.186   5.609  10.993
  101    HZ2  LYS  11          2HZ       LYS  11  -0.566   7.199  10.533
  102    HZ3  LYS  11          3HZ       LYS  11   0.865   6.468   9.976
  103    H    GLY  12           H        GLY  12  -1.793   8.211   2.752
  104    HA2  GLY  12          2HA       GLY  12  -0.598  10.704   2.053
  105    HA3  GLY  12          1HA       GLY  12   0.506   9.363   1.762
  106    H    ARG  13           H        ARG  13  -0.341  10.892  -0.353
  107    HA   ARG  13           HA       ARG  13  -2.577   9.550  -1.667
  108    HB2  ARG  13          2HB       ARG  13  -2.268  12.005  -1.908
  109    HB3  ARG  13          1HB       ARG  13  -0.729  11.714  -2.718
  110    HG2  ARG  13          2HG       ARG  13  -1.907  10.413  -4.469
  111    HG3  ARG  13          1HG       ARG  13  -3.443  10.737  -3.663
  112    HD2  ARG  13          2HD       ARG  13  -3.175  12.331  -5.471
  113    HD3  ARG  13          1HD       ARG  13  -3.022  13.188  -3.943
  114    HE   ARG  13           HE       ARG  13  -0.464  12.345  -4.905
  115   HH11  ARG  13          1HH1      ARG  13   0.896  13.935  -5.826
  116   HH12  ARG  13          2HH1      ARG  13   0.230  15.463  -6.299
  117   HH21  ARG  13          1HH2      ARG  13  -3.003  14.660  -5.350
  118   HH22  ARG  13          2HH2      ARG  13  -1.968  15.873  -6.028
  119    H    ALA  14           H        ALA  14   0.914   9.634  -1.740
  120    HA   ALA  14           HA       ALA  14   1.321   8.350  -4.222
  121    HB1  ALA  14          1HB       ALA  14   3.547   8.265  -3.627
  122    HB2  ALA  14          2HB       ALA  14   3.198   7.882  -1.941
  123    HB3  ALA  14          3HB       ALA  14   2.986   9.530  -2.534
  124    H    LEU  15           H        LEU  15   0.915   7.094  -0.938
  125    HA   LEU  15           HA       LEU  15   1.435   4.383  -1.475
  126    HB2  LEU  15          2HB       LEU  15  -0.558   5.476   0.519
  127    HB3  LEU  15          1HB       LEU  15   0.319   3.952   0.614
  128    HG   LEU  15           HG       LEU  15   1.676   6.664   0.578
  129   HD11  LEU  15          1HD1      LEU  15   2.085   6.049   3.048
  130   HD12  LEU  15          2HD1      LEU  15   0.732   4.933   2.855
  131   HD13  LEU  15          3HD1      LEU  15   0.487   6.663   2.614
  132   HD21  LEU  15          1HD2      LEU  15   3.505   5.163   1.621
  133   HD22  LEU  15          2HD2      LEU  15   3.228   5.023  -0.113
  134   HD23  LEU  15          3HD2      LEU  15   2.569   3.812   0.987
  135    H    TYR  16           H        TYR  16  -1.548   6.280  -1.583
  136    HA   TYR  16           HA       TYR  16  -3.338   4.186  -2.184
  137    HB2  TYR  16          2HB       TYR  16  -4.126   6.356  -1.434
  138    HB3  TYR  16          1HB       TYR  16  -3.452   7.130  -2.867
  139    HD1  TYR  16          1HD       TYR  16  -4.646   7.199  -4.902
  140    HD2  TYR  16          2HD       TYR  16  -5.960   4.600  -1.744
  141    HE1  TYR  16          1HE       TYR  16  -6.734   6.736  -6.152
  142    HE2  TYR  16          2HE       TYR  16  -8.048   4.140  -3.001
  143    HH   TYR  16           HH       TYR  16  -8.483   4.524  -6.048
  144    H    ASN  17           H        ASN  17  -1.535   6.418  -4.285
  145    HA   ASN  17           HA       ASN  17  -2.573   5.517  -6.741
  146    HB2  ASN  17          2HB       ASN  17  -1.296   7.600  -6.557
  147    HB3  ASN  17          1HB       ASN  17   0.156   6.689  -6.144
  148   HD21  ASN  17          1HD2      ASN  17   1.396   7.159  -8.041
  149   HD22  ASN  17          2HD2      ASN  17   0.911   6.689  -9.599
  150    H    TRP  18           H        TRP  18   0.257   4.454  -4.876
  151    HA   TRP  18           HA       TRP  18   1.253   2.604  -6.730
  152    HB2  TRP  18          2HB       TRP  18   2.635   3.229  -4.888
  153    HB3  TRP  18          1HB       TRP  18   1.407   2.742  -3.719
  154    HD1  TRP  18           HD       TRP  18   0.990   0.119  -3.382
  155    HE1  TRP  18          1HE       TRP  18   2.517  -1.915  -3.807
  156    HE3  TRP  18          3HE       TRP  18   4.516   2.274  -6.380
  157    HZ2  TRP  18          2HZ       TRP  18   4.922  -2.543  -5.229
  158    HZ3  TRP  18          3HZ       TRP  18   6.413   0.939  -7.252
  159    HH2  TRP  18           HH       TRP  18   6.622  -1.464  -6.681
  160    H    ALA  19           H        ALA  19  -1.088   2.201  -4.068
  161    HA   ALA  19           HA       ALA  19  -1.422  -0.577  -4.336
  162    HB1  ALA  19          1HB       ALA  19  -3.333   1.553  -3.343
  163    HB2  ALA  19          2HB       ALA  19  -2.278   0.527  -2.371
  164    HB3  ALA  19          3HB       ALA  19  -3.649  -0.177  -3.227
  165    H    LYS  20           H        LYS  20  -3.108   2.138  -5.850
  166    HA   LYS  20           HA       LYS  20  -5.050   0.633  -7.240
  167    HB2  LYS  20          2HB       LYS  20  -5.125   3.098  -6.898
  168    HB3  LYS  20          1HB       LYS  20  -3.814   3.267  -8.068
  169    HG2  LYS  20          2HG       LYS  20  -5.165   2.244  -9.807
  170    HG3  LYS  20          1HG       LYS  20  -6.460   1.916  -8.656
  171    HD2  LYS  20          2HD       LYS  20  -6.720   4.353  -8.276
  172    HD3  LYS  20          1HD       LYS  20  -5.460   4.660  -9.475
  173    HE2  LYS  20          2HE       LYS  20  -8.013   3.128 -10.043
  174    HE3  LYS  20          1HE       LYS  20  -7.776   4.836 -10.419
  175    HZ1  LYS  20          1HZ       LYS  20  -6.340   2.504 -11.534
  176    HZ2  LYS  20          2HZ       LYS  20  -5.737   4.085 -11.672
  177    HZ3  LYS  20          3HZ       LYS  20  -7.235   3.680 -12.365
  178    H    SER  21           H        SER  21  -1.849   1.797  -8.205
  179    HA   SER  21           HA       SER  21  -1.889   0.921 -10.876
  180    HB2  SER  21          2HB       SER  21   0.437   1.318  -8.985
  181    HB3  SER  21          1HB       SER  21   0.583   1.117 -10.728
  182    HG   SER  21           HG       SER  21  -1.253   2.976 -10.248
  183    H    HIS  22           H        HIS  22  -0.800  -0.763  -7.899
  184    HA   HIS  22           HA       HIS  22  -0.633  -3.259  -9.497
  185    HB2  HIS  22          2HB       HIS  22   1.054  -2.587  -7.082
  186    HB3  HIS  22          1HB       HIS  22   1.212  -3.978  -8.153
  187    HD1  HIS  22          1HD       HIS  22   2.022  -0.351  -7.880
  188    HD2  HIS  22          2HD       HIS  22   2.315  -3.375 -10.733
  189    HE1  HIS  22          1HE       HIS  22   3.516   0.543  -9.722
  190    HE2  HIS  22          2HE       HIS  22   3.705  -1.291 -11.467
  191    H    VAL  23           H        VAL  23  -2.791  -3.723  -8.946
  192    HA   VAL  23           HA       VAL  23  -3.733  -3.841  -6.284
  193    HB   VAL  23           HB       VAL  23  -4.781  -5.608  -8.476
  194   HG11  VAL  23          1HG1      VAL  23  -6.926  -4.977  -7.437
  195   HG12  VAL  23          2HG1      VAL  23  -6.067  -3.907  -6.327
  196   HG13  VAL  23          3HG1      VAL  23  -5.822  -5.651  -6.236
  197   HG21  VAL  23          1HG2      VAL  23  -6.130  -3.497  -9.124
  198   HG22  VAL  23          2HG2      VAL  23  -4.462  -3.592  -9.686
  199   HG23  VAL  23          3HG2      VAL  23  -4.865  -2.594  -8.290
  200    H    GLY  24           H        GLY  24  -1.783  -5.935  -8.236
  201    HA2  GLY  24          2HA       GLY  24  -2.189  -8.399  -6.922
  202    HA3  GLY  24          1HA       GLY  24  -0.729  -7.938  -7.797
  203    H    LYS  25           H        LYS  25  -0.029  -5.652  -6.259
  204    HA   LYS  25           HA       LYS  25   1.446  -6.829  -4.151
  205    HB2  LYS  25          2HB       LYS  25   0.732  -3.915  -4.593
  206    HB3  LYS  25          1HB       LYS  25   1.981  -4.501  -3.497
  207    HG2  LYS  25          2HG       LYS  25   2.023  -5.229  -6.424
  208    HG3  LYS  25          1HG       LYS  25   2.705  -3.706  -5.867
  209    HD2  LYS  25          2HD       LYS  25   4.194  -4.965  -4.321
  210    HD3  LYS  25          1HD       LYS  25   3.538  -6.477  -4.938
  211    HE2  LYS  25          2HE       LYS  25   4.320  -5.908  -7.202
  212    HE3  LYS  25          1HE       LYS  25   4.982  -4.391  -6.596
  213    HZ1  LYS  25          1HZ       LYS  25   6.809  -5.466  -6.013
  214    HZ2  LYS  25          2HZ       LYS  25   6.164  -6.930  -6.582
  215    HZ3  LYS  25          3HZ       LYS  25   5.917  -6.460  -4.969
  216    H    VAL  26           H        VAL  26  -1.598  -5.048  -4.230
  217    HA   VAL  26           HA       VAL  26  -2.017  -4.804  -1.460
  218    HB   VAL  26           HB       VAL  26  -3.950  -4.948  -3.767
  219   HG11  VAL  26          1HG1      VAL  26  -5.490  -3.825  -2.002
  220   HG12  VAL  26          2HG1      VAL  26  -4.396  -4.529  -0.811
  221   HG13  VAL  26          3HG1      VAL  26  -5.285  -5.575  -1.918
  222   HG21  VAL  26          1HG2      VAL  26  -4.057  -2.513  -3.399
  223   HG22  VAL  26          2HG2      VAL  26  -2.392  -3.019  -3.690
  224   HG23  VAL  26          3HG2      VAL  26  -2.933  -2.662  -2.049
  225    H    TRP  27           H        TRP  27  -3.020  -7.261  -3.781
  226    HA   TRP  27           HA       TRP  27  -4.451  -8.893  -1.953
  227    HB2  TRP  27          2HB       TRP  27  -3.079  -9.500  -4.570
  228    HB3  TRP  27          1HB       TRP  27  -3.953 -10.727  -3.656
  229    HD1  TRP  27           HD       TRP  27  -4.486  -8.244  -6.259
  230    HE1  TRP  27          1HE       TRP  27  -6.993  -7.724  -6.559
  231    HE3  TRP  27          3HE       TRP  27  -6.348 -10.334  -1.978
  232    HZ2  TRP  27          2HZ       TRP  27  -9.460  -8.137  -5.172
  233    HZ3  TRP  27          3HZ       TRP  27  -8.779 -10.250  -1.496
  234    HH2  TRP  27           HH       TRP  27 -10.335  -9.154  -3.085
  235    H    GLU  28           H        GLU  28  -1.073  -8.929  -3.011
  236    HA   GLU  28           HA       GLU  28  -0.241 -11.234  -1.683
  237    HB2  GLU  28          2HB       GLU  28   1.118 -10.037  -3.372
  238    HB3  GLU  28          1HB       GLU  28   1.383  -8.732  -2.216
  239    HG2  GLU  28          2HG       GLU  28   2.469 -10.307  -0.665
  240    HG3  GLU  28          1HG       GLU  28   2.180 -11.630  -1.791
  241    H    TRP  29           H        TRP  29  -0.274  -7.820  -0.483
  242    HA   TRP  29           HA       TRP  29   0.887  -8.575   2.011
  243    HB2  TRP  29          2HB       TRP  29  -0.941  -6.211   1.796
  244    HB3  TRP  29          1HB       TRP  29   0.465  -6.436   2.809
  245    HD1  TRP  29           HD       TRP  29  -0.465  -4.401   0.129
  246    HE1  TRP  29          1HE       TRP  29   1.485  -3.754  -1.419
  247    HE3  TRP  29          3HE       TRP  29   3.001  -7.865   1.579
  248    HZ2  TRP  29          2HZ       TRP  29   4.166  -4.576  -1.954
  249    HZ3  TRP  29          3HZ       TRP  29   5.239  -7.887   0.548
  250    HH2  TRP  29           HH       TRP  29   5.832  -6.256  -1.216
  251    H    LEU  30           H        LEU  30  -2.464  -8.334   0.899
  252    HA   LEU  30           HA       LEU  30  -3.679  -8.649   3.434
  253    HB2  LEU  30          2HB       LEU  30  -4.544  -9.047   0.605
  254    HB3  LEU  30          1HB       LEU  30  -5.539  -9.770   1.865
  255    HG   LEU  30           HG       LEU  30  -6.105  -7.366   1.069
  256   HD11  LEU  30          1HD1      LEU  30  -5.737  -7.867   4.034
  257   HD12  LEU  30          2HD1      LEU  30  -7.056  -8.515   3.063
  258   HD13  LEU  30          3HD1      LEU  30  -6.896  -6.774   3.286
  259   HD21  LEU  30          1HD2      LEU  30  -4.151  -6.442   3.155
  260   HD22  LEU  30          2HD2      LEU  30  -4.859  -5.565   1.805
  261   HD23  LEU  30          3HD2      LEU  30  -3.566  -6.708   1.516
  262    H    LYS  31           H        LYS  31  -2.635 -11.034   1.029
  263    HA   LYS  31           HA       LYS  31  -3.581 -13.317   2.393
  264    HB2  LYS  31          2HB       LYS  31  -2.814 -13.309   0.018
  265    HB3  LYS  31          1HB       LYS  31  -1.157 -13.119   0.593
  266    HG2  LYS  31          2HG       LYS  31  -1.314 -15.224   1.835
  267    HG3  LYS  31          1HG       LYS  31  -2.995 -15.414   1.335
  268    HD2  LYS  31          2HD       LYS  31  -2.298 -15.511  -1.022
  269    HD3  LYS  31          1HD       LYS  31  -0.614 -15.297  -0.540
  270    HE2  LYS  31          2HE       LYS  31  -1.065 -17.674  -0.909
  271    HE3  LYS  31          1HE       LYS  31  -0.762 -17.387   0.804
  272    HZ1  LYS  31          1HZ       LYS  31  -2.763 -18.803   0.179
  273    HZ2  LYS  31          2HZ       LYS  31  -3.500 -17.348  -0.300
  274    HZ3  LYS  31          3HZ       LYS  31  -3.008 -17.566   1.312
  275    H    SER  32           H        SER  32  -0.492 -11.602   2.460
  276    HA   SER  32           HA       SER  32   0.880 -13.343   4.211
  277    HB2  SER  32          2HB       SER  32   2.009 -11.622   2.855
  278    HB3  SER  32          1HB       SER  32   1.230 -10.360   3.806
  279    HG   SER  32           HG       SER  32   2.684 -12.387   5.100
  280    H    GLY  33           H        GLY  33  -1.077 -10.443   4.792
  281    HA2  GLY  33          2HA       GLY  33  -2.465 -10.125   6.694
  282    HA3  GLY  33          1HA       GLY  33  -1.470 -11.272   7.587
  283    H    ALA  34           H        ALA  34   0.528  -9.249   5.832
  284    HA   ALA  34           HA       ALA  34   1.829  -8.084   7.964
  285    HB1  ALA  34          1HB       ALA  34   1.450  -6.950   5.183
  286    HB2  ALA  34          2HB       ALA  34   2.757  -8.006   5.719
  287    HB3  ALA  34          3HB       ALA  34   2.632  -6.364   6.352
  288    H    THR  35           H        THR  35   1.960  -5.569   8.229
  289    HA   THR  35           HA       THR  35  -0.740  -4.690   8.994
  290    HB   THR  35           HB       THR  35   0.383  -3.110  10.452
  291    HG1  THR  35          1HG       THR  35   2.890  -3.754  10.279
  292   HG21  THR  35          1HG2      THR  35   1.351  -4.639  11.978
  293   HG22  THR  35          2HG2      THR  35   1.931  -5.685  10.681
  294   HG23  THR  35          3HG2      THR  35   0.208  -5.606  11.045
  295    H    TYR  36           H        TYR  36  -1.409  -2.513   8.583
  296    HA   TYR  36           HA       TYR  36  -1.059  -1.689   5.923
  297    HB2  TYR  36          2HB       TYR  36  -1.942   0.093   8.192
  298    HB3  TYR  36          1HB       TYR  36  -2.385   0.214   6.493
  299    HD1  TYR  36          1HD       TYR  36  -3.149  -2.509   5.722
  300    HD2  TYR  36          2HD       TYR  36  -3.859  -0.442   9.429
  301    HE1  TYR  36          1HE       TYR  36  -5.132  -3.927   6.134
  302    HE2  TYR  36          2HE       TYR  36  -5.837  -1.879   9.839
  303    HH   TYR  36           HH       TYR  36  -6.841  -4.356   7.481
  304    H    GLU  37           H        GLU  37   0.404  -0.522   8.913
  305    HA   GLU  37           HA       GLU  37   1.797   1.658   7.839
  306    HB2  GLU  37          2HB       GLU  37   1.455   1.247  10.253
  307    HB3  GLU  37          1HB       GLU  37   2.598  -0.093  10.169
  308    HG2  GLU  37          2HG       GLU  37   4.366   1.456   9.415
  309    HG3  GLU  37          1HG       GLU  37   3.222   2.795   9.484
  310    H    GLN  38           H        GLN  38   2.932  -1.670   8.466
  311    HA   GLN  38           HA       GLN  38   5.512  -1.300   7.451
  312    HB2  GLN  38          2HB       GLN  38   4.806  -3.251   8.764
  313    HB3  GLN  38          1HB       GLN  38   3.843  -3.824   7.404
  314    HG2  GLN  38          2HG       GLN  38   5.903  -3.895   6.009
  315    HG3  GLN  38          1HG       GLN  38   6.845  -3.390   7.407
  316   HE21  GLN  38          1HE2      GLN  38   7.814  -5.097   8.469
  317   HE22  GLN  38          2HE2      GLN  38   7.226  -6.690   8.511
  318    H    ILE  39           H        ILE  39   2.503  -2.217   5.796
  319    HA   ILE  39           HA       ILE  39   3.679  -2.817   3.312
  320    HB   ILE  39           HB       ILE  39   0.879  -1.899   3.998
  321   HG12  ILE  39          2HG1      ILE  39   1.831  -4.650   3.189
  322   HG13  ILE  39          1HG1      ILE  39   1.918  -4.133   4.872
  323   HG21  ILE  39          1HG2      ILE  39   1.308  -1.441   1.639
  324   HG22  ILE  39          2HG2      ILE  39   0.330  -2.903   1.756
  325   HG23  ILE  39          3HG2      ILE  39   2.061  -3.026   1.433
  326   HD11  ILE  39          1HD1      ILE  39  -0.554  -4.393   3.142
  327   HD12  ILE  39          2HD1      ILE  39  -0.558  -3.532   4.678
  328   HD13  ILE  39          3HD1      ILE  39  -0.190  -5.251   4.637
  329    H    LYS  40           H        LYS  40   2.302   0.310   4.550
  330    HA   LYS  40           HA       LYS  40   2.859   1.606   2.055
  331    HB2  LYS  40          2HB       LYS  40   2.822   3.773   3.290
  332    HB3  LYS  40          1HB       LYS  40   1.334   2.804   3.436
  333    HG2  LYS  40          2HG       LYS  40   1.906   2.080   5.620
  334    HG3  LYS  40          1HG       LYS  40   3.561   2.664   5.474
  335    HD2  LYS  40          2HD       LYS  40   1.400   4.705   5.099
  336    HD3  LYS  40          1HD       LYS  40   1.600   4.071   6.732
  337    HE2  LYS  40          2HE       LYS  40   3.777   5.323   5.035
  338    HE3  LYS  40          1HE       LYS  40   2.992   6.064   6.427
  339    HZ1  LYS  40          1HZ       LYS  40   3.782   4.016   7.685
  340    HZ2  LYS  40          2HZ       LYS  40   4.954   5.171   7.263
  341    HZ3  LYS  40          3HZ       LYS  40   4.809   3.736   6.365
  342    H    GLU  41           H        GLU  41   4.716   1.033   4.987
  343    HA   GLU  41           HA       GLU  41   6.819   2.777   4.543
  344    HB2  GLU  41          2HB       GLU  41   6.543   1.445   6.600
  345    HB3  GLU  41          1HB       GLU  41   6.982  -0.004   5.696
  346    HG2  GLU  41          2HG       GLU  41   9.172   0.979   5.156
  347    HG3  GLU  41          1HG       GLU  41   8.735   2.443   6.035
  348    H    TRP  42           H        TRP  42   6.414  -0.606   3.431
  349    HA   TRP  42           HA       TRP  42   8.861  -0.721   2.007
  350    HB2  TRP  42          2HB       TRP  42   6.251  -2.152   1.415
  351    HB3  TRP  42          1HB       TRP  42   7.790  -2.520   0.657
  352    HD1  TRP  42           HD       TRP  42   9.613  -2.404   3.313
  353    HE1  TRP  42          1HE       TRP  42   9.428  -4.331   5.004
  354    HE3  TRP  42          3HE       TRP  42   5.027  -4.263   2.036
  355    HZ2  TRP  42          2HZ       TRP  42   7.580  -6.413   5.720
  356    HZ3  TRP  42          3HZ       TRP  42   4.075  -6.222   3.221
  357    HH2  TRP  42           HH       TRP  42   5.351  -7.300   5.064
  358    H    ILE  43           H        ILE  43   5.603   0.246   1.070
  359    HA   ILE  43           HA       ILE  43   6.122   0.625  -1.678
  360    HB   ILE  43           HB       ILE  43   4.096   1.890   0.158
  361   HG12  ILE  43          2HG1      ILE  43   3.833  -0.251  -1.971
  362   HG13  ILE  43          1HG1      ILE  43   4.004  -0.581  -0.247
  363   HG21  ILE  43          1HG2      ILE  43   2.902   2.437  -2.016
  364   HG22  ILE  43          2HG2      ILE  43   4.428   2.115  -2.840
  365   HG23  ILE  43          3HG2      ILE  43   4.318   3.425  -1.663
  366   HD11  ILE  43          1HD1      ILE  43   1.924   0.510   0.257
  367   HD12  ILE  43          2HD1      ILE  43   1.615  -0.567  -1.104
  368   HD13  ILE  43          3HD1      ILE  43   1.802   1.165  -1.375
  369    H    GLU  44           H        GLU  44   6.249   2.996   0.971
  370    HA   GLU  44           HA       GLU  44   6.891   5.086  -0.789
  371    HB2  GLU  44          2HB       GLU  44   7.156   6.482   1.136
  372    HB3  GLU  44          1HB       GLU  44   5.755   5.427   1.385
  373    HG2  GLU  44          2HG       GLU  44   6.648   4.668   3.309
  374    HG3  GLU  44          1HG       GLU  44   8.054   4.071   2.448
  375    H    ASN  45           H        ASN  45   8.911   2.818   1.064
  376    HA   ASN  45           HA       ASN  45  11.369   4.155   0.648
  377    HB2  ASN  45          2HB       ASN  45  11.151   2.343   2.269
  378    HB3  ASN  45          1HB       ASN  45  10.744   1.211   0.982
  379   HD21  ASN  45          1HD2      ASN  45  13.129   1.314   2.899
  380   HD22  ASN  45          2HD2      ASN  45  14.486   1.248   1.882
  381    H    ALA  46           H        ALA  46   9.575   1.738  -1.280
  382    HA   ALA  46           HA       ALA  46  11.560   1.415  -3.275
  383    HB1  ALA  46          1HB       ALA  46   8.558   1.095  -3.493
  384    HB2  ALA  46          2HB       ALA  46   9.682  -0.152  -2.951
  385    HB3  ALA  46          3HB       ALA  46   9.754   0.439  -4.611
  386    H    LEU  47           H        LEU  47   8.788   3.585  -2.966
  387    HA   LEU  47           HA       LEU  47   8.889   4.780  -5.487
  388    HB2  LEU  47          2HB       LEU  47   7.169   4.950  -3.526
  389    HB3  LEU  47          1HB       LEU  47   8.166   6.304  -2.997
  390    HG   LEU  47           HG       LEU  47   6.975   6.033  -5.771
  391   HD11  LEU  47          1HD1      LEU  47   6.047   7.507  -3.302
  392   HD12  LEU  47          2HD1      LEU  47   5.130   6.390  -4.315
  393   HD13  LEU  47          3HD1      LEU  47   5.549   7.992  -4.923
  394   HD21  LEU  47          1HD2      LEU  47   8.739   8.033  -4.399
  395   HD22  LEU  47          2HD2      LEU  47   7.541   8.637  -5.544
  396   HD23  LEU  47          3HD2      LEU  47   8.753   7.482  -6.074
  397    H    GLY  48           H        GLY  48  10.513   5.695  -2.426
  398    HA2  GLY  48          2HA       GLY  48  11.760   8.035  -3.364
  399    HA3  GLY  48          1HA       GLY  48  12.328   7.043  -2.023
  400    H    TRP  49           H        TRP  49  12.801   4.649  -3.349
  401    HA   TRP  49           HA       TRP  49  14.582   5.169  -5.588
  402    HB2  TRP  49          2HB       TRP  49  16.505   4.037  -4.398
  403    HB3  TRP  49          1HB       TRP  49  16.125   5.664  -3.837
  404    HD1  TRP  49           HD       TRP  49  16.116   2.041  -2.775
  405    HE1  TRP  49          1HE       TRP  49  15.533   1.880  -0.270
  406    HE3  TRP  49          3HE       TRP  49  14.750   6.880  -1.876
  407    HZ2  TRP  49          2HZ       TRP  49  14.612   3.579   1.838
  408    HZ3  TRP  49          3HZ       TRP  49  14.029   7.581   0.389
  409    HH2  TRP  49           HH       TRP  49  13.958   5.938   2.245
  410    H    ARG  50           H        ARG  50  15.460   3.175  -6.515
  411    HA   ARG  50           HA       ARG  50  14.712   0.590  -5.659
  412    HB2  ARG  50          2HB       ARG  50  12.429   1.386  -6.209
  413    HB3  ARG  50          1HB       ARG  50  12.963   1.740  -7.852
  414    HG2  ARG  50          2HG       ARG  50  13.542  -0.644  -8.175
  415    HG3  ARG  50          1HG       ARG  50  12.985  -0.995  -6.537
  416    HD2  ARG  50          2HD       ARG  50  10.737  -0.061  -7.184
  417    HD3  ARG  50          1HD       ARG  50  11.321   0.055  -8.840
  418    HE   ARG  50           HE       ARG  50  11.735  -2.579  -7.913
  419   HH11  ARG  50          1HH1      ARG  50  10.262  -4.199  -8.532
  420   HH12  ARG  50          2HH1      ARG  50   8.688  -3.756  -9.106
  421   HH21  ARG  50          1HH2      ARG  50   9.234  -0.349  -8.762
  422   HH22  ARG  50          2HH2      ARG  50   8.107  -1.575  -9.236
  Start of MODEL    9
    1    H    FME   1           H        FME   1 -12.142  -4.911   1.351
    2    HCN  FME   1           HF       FME   1 -12.202  -4.289   3.603
    3    HA   FME   1           HA       FME   1  -9.601  -3.854   0.933
    4    HB2  FME   1          1HB       FME   1 -11.837  -3.735  -1.095
    5    HB3  FME   1          2HB       FME   1 -10.987  -5.226  -0.684
    6    HG2  FME   1          1HG       FME   1  -8.834  -4.131  -1.292
    7    HG3  FME   1          2HG       FME   1  -9.727  -2.688  -1.772
    8    HE1  FME   1          1HE       FME   1  -8.331  -4.602  -4.959
    9    HE2  FME   1          2HE       FME   1  -7.811  -5.278  -3.418
   10    HE3  FME   1          3HE       FME   1  -7.896  -3.531  -3.620
   11    H    ALA   2           H        ALA   2 -12.746  -2.261   0.937
   12    HA   ALA   2           HA       ALA   2 -11.926   0.243  -0.065
   13    HB1  ALA   2          1HB       ALA   2 -14.000   1.060   0.719
   14    HB2  ALA   2          2HB       ALA   2 -14.061  -0.115   2.032
   15    HB3  ALA   2          3HB       ALA   2 -14.308  -0.643   0.368
   16    H    GLY   3           H        GLY   3 -11.985  -1.084   3.223
   17    HA2  GLY   3          2HA       GLY   3 -11.284   1.270   4.603
   18    HA3  GLY   3          1HA       GLY   3 -11.013  -0.370   5.181
   19    H    LEU   4           H        LEU   4  -9.295  -1.291   3.165
   20    HA   LEU   4           HA       LEU   4  -6.780  -0.415   4.094
   21    HB2  LEU   4          2HB       LEU   4  -7.194  -2.631   3.052
   22    HB3  LEU   4          1HB       LEU   4  -7.465  -1.836   1.505
   23    HG   LEU   4           HG       LEU   4  -5.036  -0.815   1.992
   24   HD11  LEU   4          1HD1      LEU   4  -4.858  -3.486   3.387
   25   HD12  LEU   4          2HD1      LEU   4  -4.976  -1.954   4.257
   26   HD13  LEU   4          3HD1      LEU   4  -3.595  -2.269   3.205
   27   HD21  LEU   4          1HD2      LEU   4  -5.470  -2.118   0.034
   28   HD22  LEU   4          2HD2      LEU   4  -5.668  -3.593   0.984
   29   HD23  LEU   4          3HD2      LEU   4  -4.075  -2.849   0.829
   30    H    LEU   5           H        LEU   5  -8.590   0.325   1.136
   31    HA   LEU   5           HA       LEU   5  -6.638   1.950  -0.079
   32    HB2  LEU   5          2HB       LEU   5  -9.651   1.898  -0.332
   33    HB3  LEU   5          1HB       LEU   5  -8.599   2.855  -1.376
   34    HG   LEU   5           HG       LEU   5  -8.382  -0.147  -1.004
   35   HD11  LEU   5          1HD1      LEU   5 -10.472   0.463  -2.146
   36   HD12  LEU   5          2HD1      LEU   5  -9.345  -0.290  -3.273
   37   HD13  LEU   5          3HD1      LEU   5  -9.569   1.459  -3.286
   38   HD21  LEU   5          1HD2      LEU   5  -6.836   1.916  -2.529
   39   HD22  LEU   5          2HD2      LEU   5  -7.089   0.354  -3.305
   40   HD23  LEU   5          3HD2      LEU   5  -6.273   0.437  -1.746
   41    H    ARG   6           H        ARG   6  -9.340   2.720   2.084
   42    HA   ARG   6           HA       ARG   6  -9.051   5.516   2.065
   43    HB2  ARG   6          2HB       ARG   6 -10.974   4.258   3.070
   44    HB3  ARG   6          1HB       ARG   6  -9.917   3.797   4.405
   45    HG2  ARG   6          2HG       ARG   6  -9.495   6.472   4.442
   46    HG3  ARG   6          1HG       ARG   6 -11.113   6.456   3.751
   47    HD2  ARG   6          2HD       ARG   6 -11.856   5.015   5.656
   48    HD3  ARG   6          1HD       ARG   6 -10.244   5.193   6.359
   49    HE   ARG   6           HE       ARG   6 -11.497   7.726   5.756
   50   HH11  ARG   6          1HH1      ARG   6 -12.099   8.988   7.567
   51   HH12  ARG   6          2HH1      ARG   6 -12.171   8.250   9.133
   52   HH21  ARG   6          1HH2      ARG   6 -11.193   5.126   8.010
   53   HH22  ARG   6          2HH2      ARG   6 -11.660   6.073   9.384
   54    H    PHE   7           H        PHE   7  -7.608   3.033   4.171
   55    HA   PHE   7           HA       PHE   7  -6.251   4.752   5.906
   56    HB2  PHE   7          2HB       PHE   7  -6.529   2.292   6.244
   57    HB3  PHE   7          1HB       PHE   7  -5.343   2.013   4.972
   58    HD1  PHE   7          1HD       PHE   7  -3.037   2.003   5.468
   59    HD2  PHE   7          2HD       PHE   7  -5.805   3.745   8.250
   60    HE1  PHE   7          1HE       PHE   7  -1.215   2.231   7.136
   61    HE2  PHE   7          2HE       PHE   7  -3.985   3.977   9.917
   62    HZ   PHE   7           HZ       PHE   7  -1.689   3.218   9.362
   63    H    LEU   8           H        LEU   8  -5.192   3.257   2.859
   64    HA   LEU   8           HA       LEU   8  -2.552   4.246   2.903
   65    HB2  LEU   8          2HB       LEU   8  -4.370   3.397   0.654
   66    HB3  LEU   8          1HB       LEU   8  -2.682   3.840   0.407
   67    HG   LEU   8           HG       LEU   8  -3.303   1.825   2.549
   68   HD11  LEU   8          1HD1      LEU   8  -4.628   1.044   0.622
   69   HD12  LEU   8          2HD1      LEU   8  -3.217   0.009   0.842
   70   HD13  LEU   8          3HD1      LEU   8  -3.226   1.229  -0.433
   71   HD21  LEU   8          1HD2      LEU   8  -1.090   1.917   0.480
   72   HD22  LEU   8          2HD2      LEU   8  -1.114   1.008   1.992
   73   HD23  LEU   8          3HD2      LEU   8  -0.994   2.770   2.018
   74    H    LEU   9           H        LEU   9  -5.546   5.564   1.508
   75    HA   LEU   9           HA       LEU   9  -4.422   7.785   0.211
   76    HB2  LEU   9          2HB       LEU   9  -6.862   6.773   0.164
   77    HB3  LEU   9          1HB       LEU   9  -7.150   7.899   1.481
   78    HG   LEU   9           HG       LEU   9  -7.811   9.083  -0.446
   79   HD11  LEU   9          1HD1      LEU   9  -4.932   9.960  -0.180
   80   HD12  LEU   9          2HD1      LEU   9  -6.169  10.331   1.023
   81   HD13  LEU   9          3HD1      LEU   9  -6.330  10.933  -0.619
   82   HD21  LEU   9          1HD2      LEU   9  -5.239   8.309  -1.846
   83   HD22  LEU   9          2HD2      LEU   9  -6.645   9.109  -2.545
   84   HD23  LEU   9          3HD2      LEU   9  -6.757   7.428  -2.029
   85    H    SER  10           H        SER  10  -5.707   7.394   3.515
   86    HA   SER  10           HA       SER  10  -5.440  10.077   4.320
   87    HB2  SER  10          2HB       SER  10  -6.742   8.406   5.585
   88    HB3  SER  10          1HB       SER  10  -5.251   7.574   6.011
   89    HG   SER  10           HG       SER  10  -5.173   8.929   7.612
   90    H    LYS  11           H        LYS  11  -3.172   7.344   4.467
   91    HA   LYS  11           HA       LYS  11  -1.189   8.819   5.906
   92    HB2  LYS  11          2HB       LYS  11  -0.954   6.298   4.263
   93    HB3  LYS  11          1HB       LYS  11   0.325   6.953   5.280
   94    HG2  LYS  11          2HG       LYS  11  -2.428   6.158   6.279
   95    HG3  LYS  11          1HG       LYS  11  -0.987   5.154   6.413
   96    HD2  LYS  11          2HD       LYS  11   0.052   7.250   7.605
   97    HD3  LYS  11          1HD       LYS  11  -1.627   7.735   7.830
   98    HE2  LYS  11          2HE       LYS  11  -2.138   5.662   8.982
   99    HE3  LYS  11          1HE       LYS  11  -0.509   5.054   8.678
  100    HZ1  LYS  11          1HZ       LYS  11  -0.158   5.926  10.715
  101    HZ2  LYS  11          2HZ       LYS  11  -1.424   7.053  10.589
  102    HZ3  LYS  11          3HZ       LYS  11   0.067   7.359   9.835
  103    H    GLY  12           H        GLY  12  -1.649   8.132   2.452
  104    HA2  GLY  12          2HA       GLY  12  -0.274  10.511   1.720
  105    HA3  GLY  12          1HA       GLY  12   0.765   9.110   1.482
  106    H    ARG  13           H        ARG  13  -0.267  10.888  -0.540
  107    HA   ARG  13           HA       ARG  13  -2.404   9.569  -1.941
  108    HB2  ARG  13          2HB       ARG  13  -0.428  11.700  -2.794
  109    HB3  ARG  13          1HB       ARG  13  -1.730  11.095  -3.818
  110    HG2  ARG  13          2HG       ARG  13  -3.400  11.818  -2.194
  111    HG3  ARG  13          1HG       ARG  13  -2.132  12.342  -1.085
  112    HD2  ARG  13          2HD       ARG  13  -2.998  14.271  -2.319
  113    HD3  ARG  13          1HD       ARG  13  -1.333  13.954  -2.796
  114    HE   ARG  13           HE       ARG  13  -2.100  13.289  -4.912
  115   HH11  ARG  13          1HH1      ARG  13  -3.715  13.280  -6.512
  116   HH12  ARG  13          2HH1      ARG  13  -5.375  13.486  -6.058
  117   HH21  ARG  13          1HH2      ARG  13  -4.698  13.798  -2.678
  118   HH22  ARG  13          2HH2      ARG  13  -5.928  13.785  -3.897
  119    H    ALA  14           H        ALA  14   1.072   9.581  -1.931
  120    HA   ALA  14           HA       ALA  14   1.581   8.250  -4.327
  121    HB1  ALA  14          1HB       ALA  14   3.042   8.552  -1.731
  122    HB2  ALA  14          2HB       ALA  14   3.442   9.214  -3.315
  123    HB3  ALA  14          3HB       ALA  14   3.694   7.499  -2.988
  124    H    LEU  15           H        LEU  15   1.054   6.934  -1.043
  125    HA   LEU  15           HA       LEU  15   1.481   4.224  -1.660
  126    HB2  LEU  15          2HB       LEU  15  -0.512   5.335   0.340
  127    HB3  LEU  15          1HB       LEU  15   0.288   3.767   0.400
  128    HG   LEU  15           HG       LEU  15   1.769   6.403   0.472
  129   HD11  LEU  15          1HD1      LEU  15   0.708   4.646   2.689
  130   HD12  LEU  15          2HD1      LEU  15   0.452   6.374   2.451
  131   HD13  LEU  15          3HD1      LEU  15   2.038   5.777   2.939
  132   HD21  LEU  15          1HD2      LEU  15   3.482   4.791   1.528
  133   HD22  LEU  15          2HD2      LEU  15   3.248   4.704  -0.208
  134   HD23  LEU  15          3HD2      LEU  15   2.507   3.500   0.844
  135    H    TYR  16           H        TYR  16  -1.425   6.229  -1.727
  136    HA   TYR  16           HA       TYR  16  -3.279   4.211  -2.338
  137    HB2  TYR  16          2HB       TYR  16  -3.931   6.401  -1.547
  138    HB3  TYR  16          1HB       TYR  16  -3.256   7.154  -2.988
  139    HD1  TYR  16          1HD       TYR  16  -4.656   7.574  -4.808
  140    HD2  TYR  16          2HD       TYR  16  -5.725   4.502  -1.998
  141    HE1  TYR  16          1HE       TYR  16  -6.817   7.244  -5.981
  142    HE2  TYR  16          2HE       TYR  16  -7.883   4.176  -3.174
  143    HH   TYR  16           HH       TYR  16  -8.753   4.553  -5.514
  144    H    ASN  17           H        ASN  17  -1.430   6.397  -4.441
  145    HA   ASN  17           HA       ASN  17  -2.518   5.514  -6.880
  146    HB2  ASN  17          2HB       ASN  17  -1.182   7.555  -6.740
  147    HB3  ASN  17          1HB       ASN  17   0.243   6.615  -6.294
  148   HD21  ASN  17          1HD2      ASN  17   1.424   7.234  -8.255
  149   HD22  ASN  17          2HD2      ASN  17   0.978   6.620  -9.774
  150    H    TRP  18           H        TRP  18   0.288   4.400  -5.012
  151    HA   TRP  18           HA       TRP  18   1.254   2.500  -6.830
  152    HB2  TRP  18          2HB       TRP  18   2.624   3.111  -4.976
  153    HB3  TRP  18          1HB       TRP  18   1.378   2.659  -3.817
  154    HD1  TRP  18           HD       TRP  18   1.156   0.144  -3.168
  155    HE1  TRP  18          1HE       TRP  18   2.591  -1.941  -3.654
  156    HE3  TRP  18          3HE       TRP  18   4.190   2.002  -6.827
  157    HZ2  TRP  18          2HZ       TRP  18   4.747  -2.716  -5.367
  158    HZ3  TRP  18          3HZ       TRP  18   5.931   0.575  -7.862
  159    HH2  TRP  18           HH       TRP  18   6.213  -1.781  -7.137
  160    H    ALA  19           H        ALA  19  -1.116   2.135  -4.180
  161    HA   ALA  19           HA       ALA  19  -1.503  -0.639  -4.525
  162    HB1  ALA  19          1HB       ALA  19  -3.811  -0.064  -3.445
  163    HB2  ALA  19          2HB       ALA  19  -3.120   1.548  -3.252
  164    HB3  ALA  19          3HB       ALA  19  -2.336   0.156  -2.504
  165    H    LYS  20           H        LYS  20  -3.139   2.169  -5.947
  166    HA   LYS  20           HA       LYS  20  -5.136   0.726  -7.330
  167    HB2  LYS  20          2HB       LYS  20  -5.185   3.189  -7.016
  168    HB3  LYS  20          1HB       LYS  20  -3.836   3.335  -8.146
  169    HG2  LYS  20          2HG       LYS  20  -5.172   2.314  -9.926
  170    HG3  LYS  20          1HG       LYS  20  -6.515   2.071  -8.808
  171    HD2  LYS  20          2HD       LYS  20  -6.671   4.515  -8.476
  172    HD3  LYS  20          1HD       LYS  20  -5.344   4.750  -9.612
  173    HE2  LYS  20          2HE       LYS  20  -6.676   3.700 -11.400
  174    HE3  LYS  20          1HE       LYS  20  -8.001   3.443 -10.263
  175    HZ1  LYS  20          1HZ       LYS  20  -7.721   5.622 -11.799
  176    HZ2  LYS  20          2HZ       LYS  20  -6.998   6.144 -10.353
  177    HZ3  LYS  20          3HZ       LYS  20  -8.601   5.579 -10.347
  178    H    SER  21           H        SER  21  -1.885   1.793  -8.308
  179    HA   SER  21           HA       SER  21  -1.973   0.916 -10.972
  180    HB2  SER  21          2HB       SER  21   0.409   1.127  -9.125
  181    HB3  SER  21          1HB       SER  21   0.484   0.987 -10.877
  182    HG   SER  21           HG       SER  21   0.282   3.072 -10.866
  183    H    HIS  22           H        HIS  22  -0.939  -0.814  -8.019
  184    HA   HIS  22           HA       HIS  22  -0.992  -3.329  -9.599
  185    HB2  HIS  22          2HB       HIS  22   0.981  -2.499  -7.465
  186    HB3  HIS  22          1HB       HIS  22   0.857  -4.130  -8.128
  187    HD1  HIS  22          1HD       HIS  22   1.079  -4.217 -10.882
  188    HD2  HIS  22          2HD       HIS  22   2.564  -0.817  -8.980
  189    HE1  HIS  22          1HE       HIS  22   2.625  -3.084 -12.540
  190    HE2  HIS  22          2HE       HIS  22   3.545  -1.016 -11.391
  191    H    VAL  23           H        VAL  23  -3.076  -3.808  -8.899
  192    HA   VAL  23           HA       VAL  23  -3.859  -3.776  -6.164
  193    HB   VAL  23           HB       VAL  23  -5.801  -5.126  -6.910
  194   HG11  VAL  23          1HG1      VAL  23  -6.612  -3.501  -8.684
  195   HG12  VAL  23          2HG1      VAL  23  -5.003  -2.778  -8.654
  196   HG13  VAL  23          3HG1      VAL  23  -6.013  -2.749  -7.207
  197   HG21  VAL  23          1HG2      VAL  23  -4.719  -6.583  -8.513
  198   HG22  VAL  23          2HG2      VAL  23  -4.250  -5.208  -9.514
  199   HG23  VAL  23          3HG2      VAL  23  -5.950  -5.653  -9.368
  200    H    GLY  24           H        GLY  24  -2.092  -5.931  -8.146
  201    HA2  GLY  24          2HA       GLY  24  -2.504  -8.369  -6.788
  202    HA3  GLY  24          1HA       GLY  24  -1.093  -7.967  -7.764
  203    H    LYS  25           H        LYS  25  -0.144  -5.749  -6.300
  204    HA   LYS  25           HA       LYS  25   1.391  -7.001  -4.292
  205    HB2  LYS  25          2HB       LYS  25   0.784  -4.061  -4.736
  206    HB3  LYS  25          1HB       LYS  25   2.029  -4.669  -3.649
  207    HG2  LYS  25          2HG       LYS  25   1.995  -5.462  -6.557
  208    HG3  LYS  25          1HG       LYS  25   2.737  -3.950  -6.043
  209    HD2  LYS  25          2HD       LYS  25   4.189  -5.226  -4.474
  210    HD3  LYS  25          1HD       LYS  25   3.492  -6.728  -5.076
  211    HE2  LYS  25          2HE       LYS  25   4.252  -6.162  -7.358
  212    HE3  LYS  25          1HE       LYS  25   4.992  -4.688  -6.732
  213    HZ1  LYS  25          1HZ       LYS  25   6.751  -5.833  -6.078
  214    HZ2  LYS  25          2HZ       LYS  25   6.107  -7.217  -6.827
  215    HZ3  LYS  25          3HZ       LYS  25   5.793  -6.911  -5.186
  216    H    VAL  26           H        VAL  26  -1.556  -5.078  -4.197
  217    HA   VAL  26           HA       VAL  26  -1.806  -4.794  -1.408
  218    HB   VAL  26           HB       VAL  26  -3.858  -4.854  -3.615
  219   HG11  VAL  26          1HG1      VAL  26  -4.169  -4.610  -0.643
  220   HG12  VAL  26          2HG1      VAL  26  -5.236  -5.373  -1.819
  221   HG13  VAL  26          3HG1      VAL  26  -5.200  -3.617  -1.677
  222   HG21  VAL  26          1HG2      VAL  26  -2.880  -2.557  -1.904
  223   HG22  VAL  26          2HG2      VAL  26  -3.811  -2.470  -3.399
  224   HG23  VAL  26          3HG2      VAL  26  -2.127  -2.990  -3.439
  225    H    TRP  27           H        TRP  27  -3.105  -7.191  -3.630
  226    HA   TRP  27           HA       TRP  27  -4.478  -8.739  -1.708
  227    HB2  TRP  27          2HB       TRP  27  -3.337  -9.398  -4.424
  228    HB3  TRP  27          1HB       TRP  27  -4.199 -10.590  -3.449
  229    HD1  TRP  27           HD       TRP  27  -4.818  -8.109  -6.018
  230    HE1  TRP  27          1HE       TRP  27  -7.307  -7.438  -6.101
  231    HE3  TRP  27          3HE       TRP  27  -6.403 -10.046  -1.566
  232    HZ2  TRP  27          2HZ       TRP  27  -9.658  -7.698  -4.497
  233    HZ3  TRP  27          3HZ       TRP  27  -8.771  -9.823  -0.869
  234    HH2  TRP  27           HH       TRP  27 -10.399  -8.650  -2.328
  235    H    GLU  28           H        GLU  28  -1.183  -8.963  -3.018
  236    HA   GLU  28           HA       GLU  28  -0.416 -11.333  -1.775
  237    HB2  GLU  28          2HB       GLU  28   0.890 -10.115  -3.534
  238    HB3  GLU  28          1HB       GLU  28   1.372  -8.951  -2.298
  239    HG2  GLU  28          2HG       GLU  28   3.130 -10.589  -2.450
  240    HG3  GLU  28          1HG       GLU  28   2.267 -10.888  -0.943
  241    H    TRP  29           H        TRP  29  -0.140  -7.949  -0.554
  242    HA   TRP  29           HA       TRP  29   1.149  -8.751   1.848
  243    HB2  TRP  29          2HB       TRP  29  -0.596  -6.309   1.737
  244    HB3  TRP  29          1HB       TRP  29   0.849  -6.597   2.685
  245    HD1  TRP  29           HD       TRP  29  -0.127  -4.527   0.067
  246    HE1  TRP  29          1HE       TRP  29   1.771  -3.939  -1.565
  247    HE3  TRP  29          3HE       TRP  29   3.271  -8.110   1.351
  248    HZ2  TRP  29          2HZ       TRP  29   4.385  -4.843  -2.218
  249    HZ3  TRP  29          3HZ       TRP  29   5.456  -8.199   0.219
  250    HH2  TRP  29           HH       TRP  29   6.030  -6.577  -1.560
  251    H    LEU  30           H        LEU  30  -2.255  -8.302   0.992
  252    HA   LEU  30           HA       LEU  30  -3.253  -8.554   3.634
  253    HB2  LEU  30          2HB       LEU  30  -4.484  -8.991   0.926
  254    HB3  LEU  30          1HB       LEU  30  -5.386  -9.360   2.394
  255    HG   LEU  30           HG       LEU  30  -4.048  -6.689   1.875
  256   HD11  LEU  30          1HD1      LEU  30  -5.721  -6.747   0.227
  257   HD12  LEU  30          2HD1      LEU  30  -6.534  -5.977   1.593
  258   HD13  LEU  30          3HD1      LEU  30  -6.822  -7.684   1.244
  259   HD21  LEU  30          1HD2      LEU  30  -6.025  -6.188   3.660
  260   HD22  LEU  30          2HD2      LEU  30  -4.404  -6.658   4.155
  261   HD23  LEU  30          3HD2      LEU  30  -5.684  -7.864   4.086
  262    H    LYS  31           H        LYS  31  -2.598 -10.973   1.130
  263    HA   LYS  31           HA       LYS  31  -3.616 -13.208   2.498
  264    HB2  LYS  31          2HB       LYS  31  -2.965 -13.180   0.084
  265    HB3  LYS  31          1HB       LYS  31  -1.273 -13.139   0.583
  266    HG2  LYS  31          2HG       LYS  31  -1.504 -15.275   1.728
  267    HG3  LYS  31          1HG       LYS  31  -3.234 -15.303   1.396
  268    HD2  LYS  31          2HD       LYS  31  -2.384 -16.669  -0.306
  269    HD3  LYS  31          1HD       LYS  31  -2.506 -15.103  -1.108
  270    HE2  LYS  31          2HE       LYS  31  -0.319 -16.187  -1.546
  271    HE3  LYS  31          1HE       LYS  31  -0.126 -14.671  -0.668
  272    HZ1  LYS  31          1HZ       LYS  31   0.537 -15.726   1.194
  273    HZ2  LYS  31          2HZ       LYS  31   1.000 -16.937   0.097
  274    HZ3  LYS  31          3HZ       LYS  31  -0.468 -17.069   0.942
  275    H    SER  32           H        SER  32  -0.414 -11.722   2.450
  276    HA   SER  32           HA       SER  32   0.941 -13.602   4.035
  277    HB2  SER  32          2HB       SER  32   1.346 -10.648   3.595
  278    HB3  SER  32          1HB       SER  32   2.458 -11.633   4.545
  279    HG   SER  32           HG       SER  32   1.720 -12.682   2.099
  280    H    GLY  33           H        GLY  33  -0.966 -10.760   4.888
  281    HA2  GLY  33          2HA       GLY  33  -2.221 -10.541   6.881
  282    HA3  GLY  33          1HA       GLY  33  -1.203 -11.765   7.633
  283    H    ALA  34           H        ALA  34   0.513  -9.454   5.835
  284    HA   ALA  34           HA       ALA  34   2.041  -8.530   7.979
  285    HB1  ALA  34          1HB       ALA  34   3.025  -8.171   5.907
  286    HB2  ALA  34          2HB       ALA  34   2.474  -6.548   6.314
  287    HB3  ALA  34          3HB       ALA  34   1.542  -7.538   5.195
  288    H    THR  35           H        THR  35   2.125  -5.810   7.898
  289    HA   THR  35           HA       THR  35  -0.469  -5.012   9.093
  290    HB   THR  35           HB       THR  35   0.725  -3.615  10.595
  291    HG1  THR  35          1HG       THR  35   2.458  -2.677   9.926
  292   HG21  THR  35          1HG2      THR  35   0.936  -6.192  10.850
  293   HG22  THR  35          2HG2      THR  35   1.995  -5.169  11.822
  294   HG23  THR  35          3HG2      THR  35   2.614  -5.950  10.365
  295    H    TYR  36           H        TYR  36  -1.276  -2.952   8.580
  296    HA   TYR  36           HA       TYR  36  -0.927  -2.062   5.946
  297    HB2  TYR  36          2HB       TYR  36  -1.934  -0.418   8.269
  298    HB3  TYR  36          1HB       TYR  36  -2.291  -0.172   6.562
  299    HD1  TYR  36          1HD       TYR  36  -3.079  -2.590   5.405
  300    HD2  TYR  36          2HD       TYR  36  -3.679  -1.334   9.471
  301    HE1  TYR  36          1HE       TYR  36  -5.017  -4.132   5.591
  302    HE2  TYR  36          2HE       TYR  36  -5.612  -2.873   9.660
  303    HH   TYR  36           HH       TYR  36  -6.177  -5.358   7.666
  304    H    GLU  37           H        GLU  37   0.445  -0.833   8.985
  305    HA   GLU  37           HA       GLU  37   1.743   1.404   7.888
  306    HB2  GLU  37          2HB       GLU  37   1.402   1.021  10.325
  307    HB3  GLU  37          1HB       GLU  37   2.616  -0.257  10.257
  308    HG2  GLU  37          2HG       GLU  37   4.307   1.346   9.512
  309    HG3  GLU  37          1HG       GLU  37   3.102   2.632   9.488
  310    H    GLN  38           H        GLN  38   3.010  -1.851   8.582
  311    HA   GLN  38           HA       GLN  38   5.594  -1.373   7.629
  312    HB2  GLN  38          2HB       GLN  38   4.880  -3.366   8.919
  313    HB3  GLN  38          1HB       GLN  38   4.073  -3.977   7.479
  314    HG2  GLN  38          2HG       GLN  38   6.219  -3.937   6.270
  315    HG3  GLN  38          1HG       GLN  38   7.030  -3.358   7.724
  316   HE21  GLN  38          1HE2      GLN  38   8.278  -5.228   8.297
  317   HE22  GLN  38          2HE2      GLN  38   7.579  -6.741   8.617
  318    H    ILE  39           H        ILE  39   2.689  -2.439   5.894
  319    HA   ILE  39           HA       ILE  39   3.960  -2.956   3.437
  320    HB   ILE  39           HB       ILE  39   1.103  -2.202   4.065
  321   HG12  ILE  39          2HG1      ILE  39   2.224  -4.904   3.329
  322   HG13  ILE  39          1HG1      ILE  39   2.243  -4.353   5.003
  323   HG21  ILE  39          1HG2      ILE  39   2.377  -3.369   1.560
  324   HG22  ILE  39          2HG2      ILE  39   1.620  -1.777   1.687
  325   HG23  ILE  39          3HG2      ILE  39   0.640  -3.232   1.838
  326   HD11  ILE  39          1HD1      ILE  39   0.194  -5.614   4.627
  327   HD12  ILE  39          2HD1      ILE  39  -0.192  -4.614   3.222
  328   HD13  ILE  39          3HD1      ILE  39  -0.207  -3.915   4.839
  329    H    LYS  40           H        LYS  40   2.362   0.099   4.648
  330    HA   LYS  40           HA       LYS  40   2.911   1.374   2.147
  331    HB2  LYS  40          2HB       LYS  40   2.712   3.588   3.291
  332    HB3  LYS  40          1HB       LYS  40   1.275   2.544   3.433
  333    HG2  LYS  40          2HG       LYS  40   1.747   1.992   5.682
  334    HG3  LYS  40          1HG       LYS  40   3.415   2.573   5.565
  335    HD2  LYS  40          2HD       LYS  40   2.565   4.882   5.227
  336    HD3  LYS  40          1HD       LYS  40   0.915   4.289   5.405
  337    HE2  LYS  40          2HE       LYS  40   1.331   3.626   7.688
  338    HE3  LYS  40          1HE       LYS  40   3.052   3.980   7.533
  339    HZ1  LYS  40          1HZ       LYS  40   2.693   6.181   7.719
  340    HZ2  LYS  40          2HZ       LYS  40   1.276   5.685   8.518
  341    HZ3  LYS  40          3HZ       LYS  40   1.220   6.136   6.880
  342    H    GLU  41           H        GLU  41   4.742   0.907   5.122
  343    HA   GLU  41           HA       GLU  41   6.752   2.761   4.695
  344    HB2  GLU  41          2HB       GLU  41   6.524   1.428   6.768
  345    HB3  GLU  41          1HB       GLU  41   7.074   0.001   5.887
  346    HG2  GLU  41          2HG       GLU  41   9.204   1.096   5.388
  347    HG3  GLU  41          1HG       GLU  41   8.656   2.569   6.188
  348    H    TRP  42           H        TRP  42   6.538  -0.625   3.603
  349    HA   TRP  42           HA       TRP  42   9.000  -0.670   2.204
  350    HB2  TRP  42          2HB       TRP  42   6.422  -2.151   1.602
  351    HB3  TRP  42          1HB       TRP  42   7.973  -2.504   0.861
  352    HD1  TRP  42           HD       TRP  42   9.705  -2.271   3.641
  353    HE1  TRP  42          1HE       TRP  42   9.527  -4.234   5.297
  354    HE3  TRP  42          3HE       TRP  42   5.297  -4.327   2.098
  355    HZ2  TRP  42          2HZ       TRP  42   7.751  -6.398   5.888
  356    HZ3  TRP  42          3HZ       TRP  42   4.385  -6.335   3.220
  357    HH2  TRP  42           HH       TRP  42   5.604  -7.375   5.115
  358    H    ILE  43           H        ILE  43   5.716   0.197   1.224
  359    HA   ILE  43           HA       ILE  43   6.278   0.603  -1.514
  360    HB   ILE  43           HB       ILE  43   4.125   1.773   0.254
  361   HG12  ILE  43          2HG1      ILE  43   3.995  -0.395  -1.856
  362   HG13  ILE  43          1HG1      ILE  43   4.221  -0.734  -0.140
  363   HG21  ILE  43          1HG2      ILE  43   4.568   1.912  -2.734
  364   HG22  ILE  43          2HG2      ILE  43   4.292   3.247  -1.621
  365   HG23  ILE  43          3HG2      ILE  43   2.979   2.134  -1.999
  366   HD11  ILE  43          1HD1      ILE  43   2.092   0.076   0.431
  367   HD12  ILE  43          2HD1      ILE  43   1.794  -0.747  -1.101
  368   HD13  ILE  43          3HD1      ILE  43   1.945   1.012  -1.056
  369    H    GLU  44           H        GLU  44   6.227   2.980   1.153
  370    HA   GLU  44           HA       GLU  44   6.794   5.091  -0.599
  371    HB2  GLU  44          2HB       GLU  44   7.033   6.504   1.331
  372    HB3  GLU  44          1HB       GLU  44   5.642   5.439   1.548
  373    HG2  GLU  44          2HG       GLU  44   6.486   4.655   3.480
  374    HG3  GLU  44          1HG       GLU  44   7.953   4.136   2.664
  375    H    ASN  45           H        ASN  45   8.897   2.884   1.238
  376    HA   ASN  45           HA       ASN  45  11.306   4.285   0.804
  377    HB2  ASN  45          2HB       ASN  45  11.167   2.447   2.399
  378    HB3  ASN  45          1HB       ASN  45  10.766   1.316   1.106
  379   HD21  ASN  45          1HD2      ASN  45  12.603   0.023   0.824
  380   HD22  ASN  45          2HD2      ASN  45  14.185   0.623   0.669
  381    H    ALA  46           H        ALA  46   9.589   1.827  -1.154
  382    HA   ALA  46           HA       ALA  46  11.567   1.646  -3.182
  383    HB1  ALA  46          1HB       ALA  46   8.593   1.206  -3.499
  384    HB2  ALA  46          2HB       ALA  46   9.698   0.014  -2.815
  385    HB3  ALA  46          3HB       ALA  46   9.883   0.530  -4.493
  386    H    LEU  47           H        LEU  47   8.676   3.652  -2.814
  387    HA   LEU  47           HA       LEU  47   8.666   4.906  -5.304
  388    HB2  LEU  47          2HB       LEU  47   6.999   4.951  -3.257
  389    HB3  LEU  47          1HB       LEU  47   7.914   6.375  -2.793
  390    HG   LEU  47           HG       LEU  47   6.088   7.195  -4.071
  391   HD11  LEU  47          1HD1      LEU  47   8.404   8.048  -4.716
  392   HD12  LEU  47          2HD1      LEU  47   7.130   8.304  -5.904
  393   HD13  LEU  47          3HD1      LEU  47   8.291   7.000  -6.133
  394   HD21  LEU  47          1HD2      LEU  47   5.660   4.832  -5.084
  395   HD22  LEU  47          2HD2      LEU  47   6.719   5.369  -6.389
  396   HD23  LEU  47          3HD2      LEU  47   5.232   6.245  -6.045
  397    H    GLY  48           H        GLY  48  10.304   5.846  -2.264
  398    HA2  GLY  48          2HA       GLY  48  11.404   8.256  -3.214
  399    HA3  GLY  48          1HA       GLY  48  12.039   7.298  -1.877
  400    H    TRP  49           H        TRP  49  12.626   4.926  -3.206
  401    HA   TRP  49           HA       TRP  49  14.328   5.548  -5.475
  402    HB2  TRP  49          2HB       TRP  49  16.371   4.630  -4.367
  403    HB3  TRP  49          1HB       TRP  49  15.831   6.165  -3.692
  404    HD1  TRP  49           HD       TRP  49  14.696   6.137  -1.296
  405    HE1  TRP  49          1HE       TRP  49  14.814   4.432   0.633
  406    HE3  TRP  49          3HE       TRP  49  16.549   2.100  -3.805
  407    HZ2  TRP  49          2HZ       TRP  49  15.597   1.712   1.057
  408    HZ3  TRP  49          3HZ       TRP  49  16.975  -0.034  -2.619
  409    HH2  TRP  49           HH       TRP  49  16.501  -0.232  -0.193
  410    H    ARG  50           H        ARG  50  15.259   3.617  -6.459
  411    HA   ARG  50           HA       ARG  50  14.716   0.995  -5.533
  412    HB2  ARG  50          2HB       ARG  50  12.954   0.343  -7.120
  413    HB3  ARG  50          1HB       ARG  50  12.374   1.586  -6.011
  414    HG2  ARG  50          2HG       ARG  50  12.811   3.317  -7.708
  415    HG3  ARG  50          1HG       ARG  50  13.409   2.088  -8.820
  416    HD2  ARG  50          2HD       ARG  50  10.612   2.109  -7.658
  417    HD3  ARG  50          1HD       ARG  50  11.031   2.740  -9.248
  418    HE   ARG  50           HE       ARG  50  11.990   0.110  -9.103
  419   HH11  ARG  50          1HH1      ARG  50  10.790  -1.564 -10.056
  420   HH12  ARG  50          2HH1      ARG  50   9.092  -1.360 -10.331
  421   HH21  ARG  50          1HH2      ARG  50   9.007   1.862  -9.040
  422   HH22  ARG  50          2HH2      ARG  50   8.081   0.585  -9.754
  Start of MODEL   10
    1    H    FME   1           H        FME   1 -11.799  -4.049  -0.166
    2    HCN  FME   1           HF       FME   1 -12.019  -6.345   0.211
    3    HA   FME   1           HA       FME   1  -9.511  -4.097   1.582
    4    HB2  FME   1          1HB       FME   1  -8.408  -5.028  -0.346
    5    HB3  FME   1          2HB       FME   1  -7.911  -3.345  -0.196
    6    HG2  FME   1          1HG       FME   1  -9.993  -2.948  -1.804
    7    HG3  FME   1          2HG       FME   1  -9.676  -4.625  -2.245
    8    HE1  FME   1          1HE       FME   1  -6.815  -4.629  -4.474
    9    HE2  FME   1          2HE       FME   1  -8.533  -4.979  -4.313
   10    HE3  FME   1          3HE       FME   1  -7.409  -5.539  -3.078
   11    H    ALA   2           H        ALA   2 -12.124  -2.664   0.879
   12    HA   ALA   2           HA       ALA   2 -11.581  -0.061  -0.004
   13    HB1  ALA   2          1HB       ALA   2 -13.854  -0.949   0.193
   14    HB2  ALA   2          2HB       ALA   2 -13.689   0.553   1.100
   15    HB3  ALA   2          3HB       ALA   2 -13.695  -0.993   1.949
   16    H    GLY   3           H        GLY   3 -11.688  -1.358   3.320
   17    HA2  GLY   3          2HA       GLY   3 -11.109   1.071   4.635
   18    HA3  GLY   3          1HA       GLY   3 -10.813  -0.541   5.287
   19    H    LEU   4           H        LEU   4  -9.068  -1.495   3.371
   20    HA   LEU   4           HA       LEU   4  -6.586  -0.608   4.307
   21    HB2  LEU   4          2HB       LEU   4  -7.070  -2.857   3.407
   22    HB3  LEU   4          1HB       LEU   4  -7.348  -2.178   1.814
   23    HG   LEU   4           HG       LEU   4  -5.057  -3.340   2.442
   24   HD11  LEU   4          1HD1      LEU   4  -3.917  -1.614   0.861
   25   HD12  LEU   4          2HD1      LEU   4  -5.532  -0.919   0.743
   26   HD13  LEU   4          3HD1      LEU   4  -5.256  -2.588   0.261
   27   HD21  LEU   4          1HD2      LEU   4  -3.345  -1.871   3.222
   28   HD22  LEU   4          2HD2      LEU   4  -4.664  -1.779   4.381
   29   HD23  LEU   4          3HD2      LEU   4  -4.426  -0.492   3.209
   30    H    LEU   5           H        LEU   5  -8.297   0.063   1.264
   31    HA   LEU   5           HA       LEU   5  -6.319   1.722   0.102
   32    HB2  LEU   5          2HB       LEU   5  -9.314   1.570  -0.281
   33    HB3  LEU   5          1HB       LEU   5  -8.266   2.595  -1.260
   34    HG   LEU   5           HG       LEU   5  -7.894  -0.398  -0.943
   35   HD11  LEU   5          1HD1      LEU   5  -9.177   1.166  -3.203
   36   HD12  LEU   5          2HD1      LEU   5 -10.009   0.069  -2.100
   37   HD13  LEU   5          3HD1      LEU   5  -8.817  -0.561  -3.237
   38   HD21  LEU   5          1HD2      LEU   5  -5.825   0.336  -1.659
   39   HD22  LEU   5          2HD2      LEU   5  -6.472   1.786  -2.422
   40   HD23  LEU   5          3HD2      LEU   5  -6.620   0.225  -3.225
   41    H    ARG   6           H        ARG   6  -9.149   2.454   2.134
   42    HA   ARG   6           HA       ARG   6  -8.971   5.252   2.047
   43    HB2  ARG   6          2HB       ARG   6 -10.900   3.999   2.981
   44    HB3  ARG   6          1HB       ARG   6  -9.907   3.524   4.354
   45    HG2  ARG   6          2HG       ARG   6  -9.946   6.451   3.783
   46    HG3  ARG   6          1HG       ARG   6 -11.481   5.773   4.305
   47    HD2  ARG   6          2HD       ARG   6 -10.365   4.795   6.286
   48    HD3  ARG   6          1HD       ARG   6  -8.842   5.508   5.769
   49    HE   ARG   6           HE       ARG   6 -10.910   7.473   5.980
   50   HH11  ARG   6          1HH1      ARG   6 -10.753   8.924   7.704
   51   HH12  ARG   6          2HH1      ARG   6  -9.725   8.561   9.050
   52   HH21  ARG   6          1HH2      ARG   6  -8.676   5.513   7.746
   53   HH22  ARG   6          2HH2      ARG   6  -8.534   6.622   9.070
   54    H    PHE   7           H        PHE   7  -7.494   2.912   4.263
   55    HA   PHE   7           HA       PHE   7  -6.245   4.745   5.974
   56    HB2  PHE   7          2HB       PHE   7  -6.507   2.305   6.393
   57    HB3  PHE   7          1HB       PHE   7  -5.278   1.998   5.168
   58    HD1  PHE   7          1HD       PHE   7  -2.948   2.329   5.617
   59    HD2  PHE   7          2HD       PHE   7  -5.899   3.546   8.497
   60    HE1  PHE   7          1HE       PHE   7  -1.169   2.620   7.318
   61    HE2  PHE   7          2HE       PHE   7  -4.114   3.837  10.198
   62    HZ   PHE   7           HZ       PHE   7  -1.749   3.370   9.608
   63    H    LEU   8           H        LEU   8  -5.035   3.145   3.007
   64    HA   LEU   8           HA       LEU   8  -2.447   4.261   3.172
   65    HB2  LEU   8          2HB       LEU   8  -4.069   3.242   0.854
   66    HB3  LEU   8          1HB       LEU   8  -2.422   3.839   0.647
   67    HG   LEU   8           HG       LEU   8  -3.009   1.793   2.773
   68   HD11  LEU   8          1HD1      LEU   8  -3.985   0.751   0.868
   69   HD12  LEU   8          2HD1      LEU   8  -2.368   0.065   1.007
   70   HD13  LEU   8          3HD1      LEU   8  -2.698   1.313  -0.197
   71   HD21  LEU   8          1HD2      LEU   8  -0.579   1.905   0.995
   72   HD22  LEU   8          2HD2      LEU   8  -0.717   1.320   2.650
   73   HD23  LEU   8          3HD2      LEU   8  -0.726   3.049   2.328
   74    H    LEU   9           H        LEU   9  -5.401   5.423   1.659
   75    HA   LEU   9           HA       LEU   9  -4.330   7.703   0.387
   76    HB2  LEU   9          2HB       LEU   9  -6.562   6.773  -0.049
   77    HB3  LEU   9          1HB       LEU   9  -7.093   7.271   1.546
   78    HG   LEU   9           HG       LEU   9  -6.569   9.637   0.950
   79   HD11  LEU   9          1HD1      LEU   9  -6.389   9.905  -1.685
   80   HD12  LEU   9          2HD1      LEU   9  -5.698   8.286  -1.579
   81   HD13  LEU   9          3HD1      LEU   9  -4.947   9.622  -0.709
   82   HD21  LEU   9          1HD2      LEU   9  -8.865   8.813   0.647
   83   HD22  LEU   9          2HD2      LEU   9  -8.452   8.207  -0.956
   84   HD23  LEU   9          3HD2      LEU   9  -8.455   9.943  -0.644
   85    H    SER  10           H        SER  10  -5.813   7.292   3.600
   86    HA   SER  10           HA       SER  10  -5.699   9.979   4.388
   87    HB2  SER  10          2HB       SER  10  -5.480   7.501   6.108
   88    HB3  SER  10          1HB       SER  10  -5.858   9.121   6.688
   89    HG   SER  10           HG       SER  10  -7.366   8.136   4.568
   90    H    LYS  11           H        LYS  11  -3.310   7.378   4.623
   91    HA   LYS  11           HA       LYS  11  -1.436   8.959   6.114
   92    HB2  LYS  11          2HB       LYS  11  -1.049   6.483   4.431
   93    HB3  LYS  11          1HB       LYS  11   0.208   7.205   5.427
   94    HG2  LYS  11          2HG       LYS  11  -2.468   6.267   6.511
   95    HG3  LYS  11          1HG       LYS  11  -1.006   5.286   6.525
   96    HD2  LYS  11          2HD       LYS  11   0.077   7.332   7.732
   97    HD3  LYS  11          1HD       LYS  11  -1.585   7.816   8.056
   98    HE2  LYS  11          2HE       LYS  11  -2.048   5.729   9.182
   99    HE3  LYS  11          1HE       LYS  11  -0.447   5.105   8.766
  100    HZ1  LYS  11          1HZ       LYS  11   0.478   7.050   9.996
  101    HZ2  LYS  11          2HZ       LYS  11  -0.341   5.926  10.971
  102    HZ3  LYS  11          3HZ       LYS  11  -1.091   7.390  10.544
  103    H    GLY  12           H        GLY  12  -1.746   8.217   2.655
  104    HA2  GLY  12          2HA       GLY  12  -0.552  10.706   1.894
  105    HA3  GLY  12          1HA       GLY  12   0.533   9.343   1.624
  106    H    ARG  13           H        ARG  13  -0.502  10.982  -0.423
  107    HA   ARG  13           HA       ARG  13  -2.682   9.592  -1.731
  108    HB2  ARG  13          2HB       ARG  13  -0.828  11.805  -2.622
  109    HB3  ARG  13          1HB       ARG  13  -2.126  11.153  -3.621
  110    HG2  ARG  13          2HG       ARG  13  -3.770  11.755  -1.876
  111    HG3  ARG  13          1HG       ARG  13  -2.470  12.415  -0.882
  112    HD2  ARG  13          2HD       ARG  13  -3.117  13.377  -3.680
  113    HD3  ARG  13          1HD       ARG  13  -3.686  14.163  -2.207
  114    HE   ARG  13           HE       ARG  13  -0.889  13.863  -2.046
  115   HH11  ARG  13          1HH1      ARG  13   0.441  15.631  -2.496
  116   HH12  ARG  13          2HH1      ARG  13  -0.175  16.963  -3.417
  117   HH21  ARG  13          1HH2      ARG  13  -3.333  15.575  -3.798
  118   HH22  ARG  13          2HH2      ARG  13  -2.317  16.929  -4.159
  119    H    ALA  14           H        ALA  14   0.795   9.724  -1.835
  120    HA   ALA  14           HA       ALA  14   1.264   8.419  -4.270
  121    HB1  ALA  14          1HB       ALA  14   2.870   9.609  -2.565
  122    HB2  ALA  14          2HB       ALA  14   3.472   8.308  -3.595
  123    HB3  ALA  14          3HB       ALA  14   3.055   7.980  -1.913
  124    H    LEU  15           H        LEU  15   0.873   7.108  -0.992
  125    HA   LEU  15           HA       LEU  15   1.402   4.412  -1.601
  126    HB2  LEU  15          2HB       LEU  15  -0.561   5.420   0.470
  127    HB3  LEU  15          1HB       LEU  15   0.360   3.922   0.502
  128    HG   LEU  15           HG       LEU  15   1.651   6.661   0.510
  129   HD11  LEU  15          1HD1      LEU  15   0.485   6.581   2.562
  130   HD12  LEU  15          2HD1      LEU  15   2.112   6.025   2.953
  131   HD13  LEU  15          3HD1      LEU  15   0.802   4.863   2.766
  132   HD21  LEU  15          1HD2      LEU  15   3.188   5.012  -0.247
  133   HD22  LEU  15          2HD2      LEU  15   2.622   3.835   0.936
  134   HD23  LEU  15          3HD2      LEU  15   3.544   5.241   1.462
  135    H    TYR  16           H        TYR  16  -1.637   6.287  -1.600
  136    HA   TYR  16           HA       TYR  16  -3.414   4.175  -2.179
  137    HB2  TYR  16          2HB       TYR  16  -4.252   6.333  -1.456
  138    HB3  TYR  16          1HB       TYR  16  -3.580   7.117  -2.883
  139    HD1  TYR  16          1HD       TYR  16  -4.762   7.134  -4.951
  140    HD2  TYR  16          2HD       TYR  16  -6.064   4.584  -1.751
  141    HE1  TYR  16          1HE       TYR  16  -6.857   6.647  -6.195
  142    HE2  TYR  16          2HE       TYR  16  -8.158   4.098  -2.987
  143    HH   TYR  16           HH       TYR  16  -9.356   5.879  -5.350
  144    H    ASN  17           H        ASN  17  -1.665   6.404  -4.303
  145    HA   ASN  17           HA       ASN  17  -2.725   5.483  -6.746
  146    HB2  ASN  17          2HB       ASN  17  -1.438   7.582  -6.535
  147    HB3  ASN  17          1HB       ASN  17   0.017   6.646  -6.192
  148   HD21  ASN  17          1HD2      ASN  17   0.005   8.340  -8.456
  149   HD22  ASN  17          2HD2      ASN  17  -0.037   7.391  -9.864
  150    H    TRP  18           H        TRP  18   0.151   4.498  -4.912
  151    HA   TRP  18           HA       TRP  18   1.179   2.636  -6.740
  152    HB2  TRP  18          2HB       TRP  18   2.552   3.294  -4.902
  153    HB3  TRP  18          1HB       TRP  18   1.321   2.832  -3.727
  154    HD1  TRP  18           HD       TRP  18   0.891   0.208  -3.365
  155    HE1  TRP  18          1HE       TRP  18   2.452  -1.817  -3.677
  156    HE3  TRP  18          3HE       TRP  18   4.513   2.323  -6.281
  157    HZ2  TRP  18          2HZ       TRP  18   4.902  -2.459  -4.983
  158    HZ3  TRP  18          3HZ       TRP  18   6.453   0.978  -7.041
  159    HH2  TRP  18           HH       TRP  18   6.651  -1.410  -6.395
  160    H    ALA  19           H        ALA  19  -1.136   2.208  -4.062
  161    HA   ALA  19           HA       ALA  19  -1.450  -0.576  -4.318
  162    HB1  ALA  19          1HB       ALA  19  -3.744  -0.099  -3.269
  163    HB2  ALA  19          2HB       ALA  19  -3.240   1.591  -3.245
  164    HB3  ALA  19          3HB       ALA  19  -2.318   0.381  -2.351
  165    H    LYS  20           H        LYS  20  -3.220   2.109  -5.816
  166    HA   LYS  20           HA       LYS  20  -5.152   0.561  -7.178
  167    HB2  LYS  20          2HB       LYS  20  -5.316   3.017  -6.842
  168    HB3  LYS  20          1HB       LYS  20  -3.996   3.238  -7.989
  169    HG2  LYS  20          2HG       LYS  20  -5.318   2.150  -9.755
  170    HG3  LYS  20          1HG       LYS  20  -6.642   1.892  -8.618
  171    HD2  LYS  20          2HD       LYS  20  -6.840   4.341  -8.308
  172    HD3  LYS  20          1HD       LYS  20  -5.535   4.581  -9.471
  173    HE2  LYS  20          2HE       LYS  20  -7.695   4.849 -10.599
  174    HE3  LYS  20          1HE       LYS  20  -6.878   3.406 -11.198
  175    HZ1  LYS  20          1HZ       LYS  20  -8.732   3.183  -8.927
  176    HZ2  LYS  20          2HZ       LYS  20  -8.305   2.016 -10.087
  177    HZ3  LYS  20          3HZ       LYS  20  -9.355   3.286 -10.502
  178    H    SER  21           H        SER  21  -1.979   1.799  -8.167
  179    HA   SER  21           HA       SER  21  -2.037   0.954 -10.837
  180    HB2  SER  21          2HB       SER  21   0.324   1.278  -8.976
  181    HB3  SER  21          1HB       SER  21   0.425   1.132 -10.728
  182    HG   SER  21           HG       SER  21   0.381   3.297 -10.244
  183    H    HIS  22           H        HIS  22  -0.902  -0.742  -7.903
  184    HA   HIS  22           HA       HIS  22  -0.789  -3.234  -9.524
  185    HB2  HIS  22          2HB       HIS  22   1.006  -2.347  -7.257
  186    HB3  HIS  22          1HB       HIS  22   1.000  -3.971  -7.943
  187    HD1  HIS  22          1HD       HIS  22   1.453  -4.019 -10.657
  188    HD2  HIS  22          2HD       HIS  22   2.617  -0.583  -8.607
  189    HE1  HIS  22          1HE       HIS  22   3.113  -2.822 -12.150
  190    HE2  HIS  22          2HE       HIS  22   3.834  -0.724 -10.912
  191    H    VAL  23           H        VAL  23  -2.890  -3.786  -8.971
  192    HA   VAL  23           HA       VAL  23  -3.816  -3.858  -6.294
  193    HB   VAL  23           HB       VAL  23  -5.634  -5.311  -7.212
  194   HG11  VAL  23          1HG1      VAL  23  -6.023  -2.973  -7.350
  195   HG12  VAL  23          2HG1      VAL  23  -6.373  -3.588  -8.965
  196   HG13  VAL  23          3HG1      VAL  23  -4.842  -2.774  -8.646
  197   HG21  VAL  23          1HG2      VAL  23  -4.316  -6.535  -8.885
  198   HG22  VAL  23          2HG2      VAL  23  -4.016  -5.037  -9.767
  199   HG23  VAL  23          3HG2      VAL  23  -5.652  -5.691  -9.669
  200    H    GLY  24           H        GLY  24  -1.885  -5.946  -8.247
  201    HA2  GLY  24          2HA       GLY  24  -2.266  -8.403  -6.910
  202    HA3  GLY  24          1HA       GLY  24  -0.829  -7.946  -7.825
  203    H    LYS  25           H        LYS  25  -0.105  -5.656  -6.294
  204    HA   LYS  25           HA       LYS  25   1.399  -6.856  -4.215
  205    HB2  LYS  25          2HB       LYS  25   0.738  -3.941  -4.743
  206    HB3  LYS  25          1HB       LYS  25   1.955  -4.501  -3.596
  207    HG2  LYS  25          2HG       LYS  25   2.063  -5.458  -6.444
  208    HG3  LYS  25          1HG       LYS  25   2.683  -3.855  -6.042
  209    HD2  LYS  25          2HD       LYS  25   4.153  -4.860  -4.324
  210    HD3  LYS  25          1HD       LYS  25   3.561  -6.458  -4.750
  211    HE2  LYS  25          2HE       LYS  25   5.660  -6.096  -5.884
  212    HE3  LYS  25          1HE       LYS  25   4.370  -6.099  -7.080
  213    HZ1  LYS  25          1HZ       LYS  25   4.362  -3.580  -6.713
  214    HZ2  LYS  25          2HZ       LYS  25   5.628  -4.255  -7.625
  215    HZ3  LYS  25          3HZ       LYS  25   5.888  -3.813  -6.007
  216    H    VAL  26           H        VAL  26  -1.620  -5.044  -4.258
  217    HA   VAL  26           HA       VAL  26  -1.992  -4.785  -1.478
  218    HB   VAL  26           HB       VAL  26  -3.977  -4.966  -3.753
  219   HG11  VAL  26          1HG1      VAL  26  -4.337  -4.594  -0.792
  220   HG12  VAL  26          2HG1      VAL  26  -5.284  -5.573  -1.913
  221   HG13  VAL  26          3HG1      VAL  26  -5.451  -3.817  -1.917
  222   HG21  VAL  26          1HG2      VAL  26  -2.366  -3.002  -3.617
  223   HG22  VAL  26          2HG2      VAL  26  -3.112  -2.591  -2.072
  224   HG23  VAL  26          3HG2      VAL  26  -4.072  -2.562  -3.550
  225    H    TRP  27           H        TRP  27  -3.044  -7.248  -3.778
  226    HA   TRP  27           HA       TRP  27  -4.419  -8.894  -1.946
  227    HB2  TRP  27          2HB       TRP  27  -3.089  -9.415  -4.596
  228    HB3  TRP  27          1HB       TRP  27  -3.858 -10.714  -3.685
  229    HD1  TRP  27           HD       TRP  27  -5.048  -7.073  -4.111
  230    HE1  TRP  27          1HE       TRP  27  -7.414  -7.110  -5.128
  231    HE3  TRP  27          3HE       TRP  27  -5.619 -12.100  -4.842
  232    HZ2  TRP  27          2HZ       TRP  27  -9.300  -9.011  -6.109
  233    HZ3  TRP  27          3HZ       TRP  27  -7.716 -12.993  -5.815
  234    HH2  TRP  27           HH       TRP  27  -9.555 -11.455  -6.450
  235    H    GLU  28           H        GLU  28  -1.048  -8.921  -3.058
  236    HA   GLU  28           HA       GLU  28  -0.183 -11.218  -1.761
  237    HB2  GLU  28          2HB       GLU  28   1.168 -10.016  -3.450
  238    HB3  GLU  28          1HB       GLU  28   1.428  -8.708  -2.295
  239    HG2  GLU  28          2HG       GLU  28   2.543 -10.267  -0.750
  240    HG3  GLU  28          1HG       GLU  28   2.254 -11.599  -1.869
  241    H    TRP  29           H        TRP  29  -0.212  -7.819  -0.551
  242    HA   TRP  29           HA       TRP  29   0.974  -8.512   1.945
  243    HB2  TRP  29          2HB       TRP  29  -0.897  -6.183   1.661
  244    HB3  TRP  29          1HB       TRP  29   0.480  -6.361   2.725
  245    HD1  TRP  29           HD       TRP  29  -0.401  -4.333   0.074
  246    HE1  TRP  29          1HE       TRP  29   1.560  -3.638  -1.436
  247    HE3  TRP  29          3HE       TRP  29   3.068  -7.818   1.461
  248    HZ2  TRP  29          2HZ       TRP  29   4.248  -4.440  -1.978
  249    HZ3  TRP  29          3HZ       TRP  29   5.302  -7.802   0.452
  250    HH2  TRP  29           HH       TRP  29   5.915  -6.138  -1.267
  251    H    LEU  30           H        LEU  30  -2.396  -8.279   0.884
  252    HA   LEU  30           HA       LEU  30  -3.564  -8.599   3.437
  253    HB2  LEU  30          2HB       LEU  30  -4.459  -8.989   0.621
  254    HB3  LEU  30          1HB       LEU  30  -5.426  -9.751   1.874
  255    HG   LEU  30           HG       LEU  30  -6.055  -7.348   1.128
  256   HD11  LEU  30          1HD1      LEU  30  -5.618  -7.754   4.095
  257   HD12  LEU  30          2HD1      LEU  30  -6.882  -8.584   3.183
  258   HD13  LEU  30          3HD1      LEU  30  -6.894  -6.825   3.310
  259   HD21  LEU  30          1HD2      LEU  30  -4.816  -5.532   1.833
  260   HD22  LEU  30          2HD2      LEU  30  -3.511  -6.665   1.521
  261   HD23  LEU  30          3HD2      LEU  30  -4.075  -6.401   3.171
  262    H    LYS  31           H        LYS  31  -2.540 -10.985   1.007
  263    HA   LYS  31           HA       LYS  31  -3.416 -13.284   2.389
  264    HB2  LYS  31          2HB       LYS  31  -2.710 -13.289   0.001
  265    HB3  LYS  31          1HB       LYS  31  -1.037 -13.050   0.518
  266    HG2  LYS  31          2HG       LYS  31  -1.108 -15.147   1.795
  267    HG3  LYS  31          1HG       LYS  31  -2.796 -15.379   1.343
  268    HD2  LYS  31          2HD       LYS  31  -2.146 -15.493  -1.038
  269    HD3  LYS  31          1HD       LYS  31  -0.454 -15.274  -0.583
  270    HE2  LYS  31          2HE       LYS  31  -0.535 -17.348   0.747
  271    HE3  LYS  31          1HE       LYS  31  -2.230 -17.570   0.307
  272    HZ1  LYS  31          1HZ       LYS  31  -0.183 -18.601  -1.062
  273    HZ2  LYS  31          2HZ       LYS  31  -0.419 -17.149  -1.911
  274    HZ3  LYS  31          3HZ       LYS  31  -1.696 -18.256  -1.746
  275    H    SER  32           H        SER  32  -0.318 -11.552   2.410
  276    HA   SER  32           HA       SER  32   1.054 -13.280   4.182
  277    HB2  SER  32          2HB       SER  32   2.573 -11.361   4.533
  278    HB3  SER  32          1HB       SER  32   2.241 -11.636   2.825
  279    HG   SER  32           HG       SER  32   2.052  -9.397   3.763
  280    H    GLY  33           H        GLY  33  -1.096 -10.544   4.713
  281    HA2  GLY  33          2HA       GLY  33  -2.402 -10.192   6.638
  282    HA3  GLY  33          1HA       GLY  33  -1.381 -11.331   7.511
  283    H    ALA  34           H        ALA  34   0.502  -9.192   5.747
  284    HA   ALA  34           HA       ALA  34   1.800  -8.073   7.918
  285    HB1  ALA  34          1HB       ALA  34   2.696  -7.982   5.630
  286    HB2  ALA  34          2HB       ALA  34   2.663  -6.377   6.357
  287    HB3  ALA  34          3HB       ALA  34   1.436  -6.833   5.175
  288    H    THR  35           H        THR  35   1.906  -5.543   8.174
  289    HA   THR  35           HA       THR  35  -0.821  -4.700   8.925
  290    HB   THR  35           HB       THR  35   0.168  -3.336  10.549
  291    HG1  THR  35          1HG       THR  35   2.496  -2.953  10.422
  292   HG21  THR  35          1HG2      THR  35   0.601  -5.867  10.800
  293   HG22  THR  35          2HG2      THR  35   1.555  -4.774  11.801
  294   HG23  THR  35          3HG2      THR  35   2.266  -5.490  10.353
  295    H    TYR  36           H        TYR  36  -1.463  -2.503   8.508
  296    HA   TYR  36           HA       TYR  36  -1.024  -1.655   5.855
  297    HB2  TYR  36          2HB       TYR  36  -1.992   0.162   8.049
  298    HB3  TYR  36          1HB       TYR  36  -2.445   0.166   6.348
  299    HD1  TYR  36          1HD       TYR  36  -3.051  -2.618   5.743
  300    HD2  TYR  36          2HD       TYR  36  -3.886  -0.360   9.300
  301    HE1  TYR  36          1HE       TYR  36  -4.939  -4.105   6.225
  302    HE2  TYR  36          2HE       TYR  36  -5.801  -1.863   9.786
  303    HH   TYR  36           HH       TYR  36  -6.312  -4.806   8.008
  304    H    GLU  37           H        GLU  37   0.380  -0.577   8.899
  305    HA   GLU  37           HA       GLU  37   1.771   1.643   7.896
  306    HB2  GLU  37          2HB       GLU  37   1.426   1.194  10.300
  307    HB3  GLU  37          1HB       GLU  37   2.549  -0.167  10.182
  308    HG2  GLU  37          2HG       GLU  37   4.341   1.326   9.484
  309    HG3  GLU  37          1HG       GLU  37   3.233   2.694   9.475
  310    H    GLN  38           H        GLN  38   2.881  -1.673   8.460
  311    HA   GLN  38           HA       GLN  38   5.470  -1.335   7.479
  312    HB2  GLN  38          2HB       GLN  38   4.819  -3.258   8.773
  313    HB3  GLN  38          1HB       GLN  38   3.710  -3.784   7.508
  314    HG2  GLN  38          2HG       GLN  38   5.559  -4.104   5.963
  315    HG3  GLN  38          1HG       GLN  38   6.695  -3.438   7.136
  316   HE21  GLN  38          1HE2      GLN  38   4.885  -6.305   6.240
  317   HE22  GLN  38          2HE2      GLN  38   5.508  -7.311   7.455
  318    H    ILE  39           H        ILE  39   2.470  -2.238   5.780
  319    HA   ILE  39           HA       ILE  39   3.655  -2.802   3.289
  320    HB   ILE  39           HB       ILE  39   0.876  -1.810   3.944
  321   HG12  ILE  39          2HG1      ILE  39   1.814  -4.565   3.146
  322   HG13  ILE  39          1HG1      ILE  39   1.800  -4.065   4.830
  323   HG21  ILE  39          1HG2      ILE  39   2.087  -2.964   1.397
  324   HG22  ILE  39          2HG2      ILE  39   1.359  -1.362   1.585
  325   HG23  ILE  39          3HG2      ILE  39   0.349  -2.808   1.676
  326   HD11  ILE  39          1HD1      ILE  39  -0.546  -4.323   2.944
  327   HD12  ILE  39          2HD1      ILE  39  -0.664  -3.412   4.445
  328   HD13  ILE  39          3HD1      ILE  39  -0.304  -5.135   4.491
  329    H    LYS  40           H        LYS  40   2.331   0.334   4.583
  330    HA   LYS  40           HA       LYS  40   2.887   1.646   2.104
  331    HB2  LYS  40          2HB       LYS  40   2.815   3.812   3.247
  332    HB3  LYS  40          1HB       LYS  40   1.362   2.813   3.549
  333    HG2  LYS  40          2HG       LYS  40   2.112   2.258   5.747
  334    HG3  LYS  40          1HG       LYS  40   3.708   2.947   5.462
  335    HD2  LYS  40          2HD       LYS  40   2.632   5.173   5.113
  336    HD3  LYS  40          1HD       LYS  40   1.081   4.454   5.536
  337    HE2  LYS  40          2HE       LYS  40   1.882   3.917   7.764
  338    HE3  LYS  40          1HE       LYS  40   3.502   4.478   7.352
  339    HZ1  LYS  40          1HZ       LYS  40   2.911   6.559   7.752
  340    HZ2  LYS  40          2HZ       LYS  40   1.444   5.981   8.374
  341    HZ3  LYS  40          3HZ       LYS  40   1.556   6.440   6.740
  342    H    GLU  41           H        GLU  41   4.735   1.054   5.033
  343    HA   GLU  41           HA       GLU  41   6.857   2.804   4.583
  344    HB2  GLU  41          2HB       GLU  41   6.603   1.505   6.658
  345    HB3  GLU  41          1HB       GLU  41   6.980   0.027   5.775
  346    HG2  GLU  41          2HG       GLU  41   9.207   0.909   5.214
  347    HG3  GLU  41          1HG       GLU  41   8.827   2.422   6.042
  348    H    TRP  42           H        TRP  42   6.405  -0.577   3.482
  349    HA   TRP  42           HA       TRP  42   8.844  -0.720   2.044
  350    HB2  TRP  42          2HB       TRP  42   6.216  -2.112   1.462
  351    HB3  TRP  42          1HB       TRP  42   7.757  -2.515   0.722
  352    HD1  TRP  42           HD       TRP  42   9.464  -2.274   3.552
  353    HE1  TRP  42          1HE       TRP  42   9.246  -4.255   5.184
  354    HE3  TRP  42          3HE       TRP  42   5.075  -4.299   1.907
  355    HZ2  TRP  42          2HZ       TRP  42   7.458  -6.421   5.712
  356    HZ3  TRP  42          3HZ       TRP  42   4.137  -6.322   2.991
  357    HH2  TRP  42           HH       TRP  42   5.325  -7.385   4.889
  358    H    ILE  43           H        ILE  43   5.600   0.274   1.083
  359    HA   ILE  43           HA       ILE  43   6.150   0.663  -1.658
  360    HB   ILE  43           HB       ILE  43   4.091   1.927   0.165
  361   HG12  ILE  43          2HG1      ILE  43   3.785  -0.162  -2.006
  362   HG13  ILE  43          1HG1      ILE  43   4.024  -0.574  -0.309
  363   HG21  ILE  43          1HG2      ILE  43   4.528   2.138  -2.814
  364   HG22  ILE  43          2HG2      ILE  43   4.276   3.445  -1.655
  365   HG23  ILE  43          3HG2      ILE  43   2.937   2.375  -2.087
  366   HD11  ILE  43          1HD1      ILE  43   1.783   1.223  -1.281
  367   HD12  ILE  43          2HD1      ILE  43   1.968   0.526   0.328
  368   HD13  ILE  43          3HD1      ILE  43   1.599  -0.515  -1.048
  369    H    GLU  44           H        GLU  44   6.258   3.033   1.015
  370    HA   GLU  44           HA       GLU  44   6.936   5.119  -0.735
  371    HB2  GLU  44          2HB       GLU  44   7.240   6.509   1.181
  372    HB3  GLU  44          1HB       GLU  44   5.802   5.500   1.429
  373    HG2  GLU  44          2HG       GLU  44   6.657   4.666   3.334
  374    HG3  GLU  44          1HG       GLU  44   8.101   4.100   2.502
  375    H    ASN  45           H        ASN  45   8.912   2.808   1.093
  376    HA   ASN  45           HA       ASN  45  11.376   4.114   0.650
  377    HB2  ASN  45          2HB       ASN  45  11.152   2.309   2.273
  378    HB3  ASN  45          1HB       ASN  45  10.749   1.169   0.989
  379   HD21  ASN  45          1HD2      ASN  45  13.004   0.636   2.603
  380   HD22  ASN  45          2HD2      ASN  45  14.414   0.867   1.686
  381    H    ALA  46           H        ALA  46   9.563   1.717  -1.274
  382    HA   ALA  46           HA       ALA  46  11.532   1.366  -3.280
  383    HB1  ALA  46          1HB       ALA  46   8.520   1.078  -3.385
  384    HB2  ALA  46          2HB       ALA  46   9.688  -0.201  -3.048
  385    HB3  ALA  46          3HB       ALA  46   9.621   0.534  -4.652
  386    H    LEU  47           H        LEU  47   8.815   3.593  -2.928
  387    HA   LEU  47           HA       LEU  47   8.903   4.800  -5.446
  388    HB2  LEU  47          2HB       LEU  47   7.204   5.032  -3.463
  389    HB3  LEU  47          1HB       LEU  47   8.252   6.348  -2.949
  390    HG   LEU  47           HG       LEU  47   7.087   6.149  -5.744
  391   HD11  LEU  47          1HD1      LEU  47   5.219   6.413  -4.283
  392   HD12  LEU  47          2HD1      LEU  47   5.578   8.019  -4.917
  393   HD13  LEU  47          3HD1      LEU  47   6.079   7.581  -3.283
  394   HD21  LEU  47          1HD2      LEU  47   8.866   7.629  -5.935
  395   HD22  LEU  47          2HD2      LEU  47   8.762   8.146  -4.256
  396   HD23  LEU  47          3HD2      LEU  47   7.601   8.746  -5.440
  397    H    GLY  48           H        GLY  48  10.571   5.649  -2.402
  398    HA2  GLY  48          2HA       GLY  48  11.881   7.952  -3.374
  399    HA3  GLY  48          1HA       GLY  48  12.393   6.987  -1.992
  400    H    TRP  49           H        TRP  49  12.828   4.541  -3.268
  401    HA   TRP  49           HA       TRP  49  14.615   4.896  -5.509
  402    HB2  TRP  49          2HB       TRP  49  16.098   5.628  -3.727
  403    HB3  TRP  49          1HB       TRP  49  15.731   4.179  -2.788
  404    HD1  TRP  49           HD       TRP  49  17.300   2.197  -3.150
  405    HE1  TRP  49          1HE       TRP  49  19.039   1.524  -4.932
  406    HE3  TRP  49          3HE       TRP  49  16.610   5.971  -6.517
  407    HZ2  TRP  49          2HZ       TRP  49  19.995   2.459  -7.467
  408    HZ3  TRP  49          3HZ       TRP  49  17.939   6.054  -8.607
  409    HH2  TRP  49           HH       TRP  49  19.630   4.306  -9.085
  410    H    ARG  50           H        ARG  50  14.480   3.099  -6.715
  411    HA   ARG  50           HA       ARG  50  13.422   0.645  -5.467
  412    HB2  ARG  50          2HB       ARG  50  12.217   1.595  -7.419
  413    HB3  ARG  50          1HB       ARG  50  13.674   1.378  -8.391
  414    HG2  ARG  50          2HG       ARG  50  13.615  -1.045  -7.954
  415    HG3  ARG  50          1HG       ARG  50  12.164  -0.836  -6.972
  416    HD2  ARG  50          2HD       ARG  50  12.360  -0.034  -9.887
  417    HD3  ARG  50          1HD       ARG  50  11.694  -1.567  -9.335
  418    HE   ARG  50           HE       ARG  50  10.377   0.518  -7.974
  419   HH11  ARG  50          1HH1      ARG  50   8.297   1.116  -8.663
  420   HH12  ARG  50          2HH1      ARG  50   7.784   0.740 -10.274
  421   HH21  ARG  50          1HH2      ARG  50  10.770  -0.771 -11.164
  422   HH22  ARG  50          2HH2      ARG  50   9.182  -0.326 -11.688
  Start of MODEL   11
    1    H    FME   1           H        FME   1 -11.786  -4.933   1.501
    2    HCN  FME   1           HF       FME   1 -11.271  -4.449   3.727
    3    HA   FME   1           HA       FME   1  -9.324  -3.914   0.600
    4    HB2  FME   1          1HB       FME   1 -11.924  -3.915  -0.938
    5    HB3  FME   1          2HB       FME   1 -10.920  -5.347  -0.714
    6    HG2  FME   1          1HG       FME   1  -9.822  -2.773  -1.859
    7    HG3  FME   1          2HG       FME   1 -10.542  -4.024  -2.873
    8    HE1  FME   1          1HE       FME   1  -8.211  -3.461  -3.895
    9    HE2  FME   1          2HE       FME   1  -8.610  -5.137  -4.264
   10    HE3  FME   1          3HE       FME   1  -6.974  -4.718  -3.761
   11    H    ALA   2           H        ALA   2 -12.538  -2.363   0.736
   12    HA   ALA   2           HA       ALA   2 -11.691   0.136  -0.240
   13    HB1  ALA   2          1HB       ALA   2 -13.786   0.988   0.496
   14    HB2  ALA   2          2HB       ALA   2 -13.935  -0.255   1.737
   15    HB3  ALA   2          3HB       ALA   2 -14.086  -0.690   0.034
   16    H    GLY   3           H        GLY   3 -11.886  -1.146   3.069
   17    HA2  GLY   3          2HA       GLY   3 -11.248   1.246   4.420
   18    HA3  GLY   3          1HA       GLY   3 -10.990  -0.375   5.048
   19    H    LEU   4           H        LEU   4  -9.251  -1.357   3.163
   20    HA   LEU   4           HA       LEU   4  -6.767  -0.525   4.121
   21    HB2  LEU   4          2HB       LEU   4  -7.306  -2.751   3.172
   22    HB3  LEU   4          1HB       LEU   4  -7.501  -2.030   1.588
   23    HG   LEU   4           HG       LEU   4  -5.272  -3.255   2.219
   24   HD11  LEU   4          1HD1      LEU   4  -4.067  -1.964   0.623
   25   HD12  LEU   4          2HD1      LEU   4  -5.025  -0.529   0.952
   26   HD13  LEU   4          3HD1      LEU   4  -5.756  -1.902   0.136
   27   HD21  LEU   4          1HD2      LEU   4  -4.961  -1.891   4.315
   28   HD22  LEU   4          2HD2      LEU   4  -4.624  -0.501   3.288
   29   HD23  LEU   4          3HD2      LEU   4  -3.572  -1.910   3.237
   30    H    LEU   5           H        LEU   5  -8.419   0.194   1.062
   31    HA   LEU   5           HA       LEU   5  -6.364   1.769  -0.083
   32    HB2  LEU   5          2HB       LEU   5  -9.356   1.777  -0.501
   33    HB3  LEU   5          1HB       LEU   5  -8.222   2.682  -1.496
   34    HG   LEU   5           HG       LEU   5  -8.065  -0.313  -1.085
   35   HD11  LEU   5          1HD1      LEU   5  -9.415   1.343  -3.217
   36   HD12  LEU   5          2HD1      LEU   5 -10.112   0.048  -2.243
   37   HD13  LEU   5          3HD1      LEU   5  -8.929  -0.328  -3.497
   38   HD21  LEU   5          1HD2      LEU   5  -6.593   1.706  -2.759
   39   HD22  LEU   5          2HD2      LEU   5  -6.775   0.061  -3.364
   40   HD23  LEU   5          3HD2      LEU   5  -5.951   0.352  -1.832
   41    H    ARG   6           H        ARG   6  -9.199   2.608   1.907
   42    HA   ARG   6           HA       ARG   6  -8.925   5.394   1.822
   43    HB2  ARG   6          2HB       ARG   6 -10.874   4.133   2.782
   44    HB3  ARG   6          1HB       ARG   6  -9.872   3.755   4.183
   45    HG2  ARG   6          2HG       ARG   6  -9.503   6.439   4.118
   46    HG3  ARG   6          1HG       ARG   6 -11.087   6.357   3.350
   47    HD2  ARG   6          2HD       ARG   6 -11.892   4.984   5.279
   48    HD3  ARG   6          1HD       ARG   6 -10.325   5.228   6.053
   49    HE   ARG   6           HE       ARG   6 -11.596   7.694   5.283
   50   HH11  ARG   6          1HH1      ARG   6 -12.273   9.017   6.981
   51   HH12  ARG   6          2HH1      ARG   6 -12.411   8.374   8.582
   52   HH21  ARG   6          1HH2      ARG   6 -11.389   5.184   7.660
   53   HH22  ARG   6          2HH2      ARG   6 -11.910   6.193   8.966
   54    H    PHE   7           H        PHE   7  -7.571   3.002   4.053
   55    HA   PHE   7           HA       PHE   7  -6.317   4.763   5.822
   56    HB2  PHE   7          2HB       PHE   7  -6.612   2.327   6.199
   57    HB3  PHE   7          1HB       PHE   7  -5.406   2.005   4.955
   58    HD1  PHE   7          1HD       PHE   7  -3.121   1.933   5.502
   59    HD2  PHE   7          2HD       PHE   7  -5.888   3.829   8.187
   60    HE1  PHE   7          1HE       PHE   7  -1.319   2.175   7.190
   61    HE2  PHE   7          2HE       PHE   7  -4.086   4.072   9.873
   62    HZ   PHE   7           HZ       PHE   7  -1.801   3.244   9.374
   63    H    LEU   8           H        LEU   8  -5.083   3.201   2.855
   64    HA   LEU   8           HA       LEU   8  -2.486   4.278   3.083
   65    HB2  LEU   8          2HB       LEU   8  -4.031   3.323   0.675
   66    HB3  LEU   8          1HB       LEU   8  -2.360   3.863   0.572
   67    HG   LEU   8           HG       LEU   8  -3.166   1.707   2.538
   68   HD11  LEU   8          1HD1      LEU   8  -2.064   1.137  -0.225
   69   HD12  LEU   8          2HD1      LEU   8  -3.799   1.163   0.068
   70   HD13  LEU   8          3HD1      LEU   8  -2.782   0.001   0.917
   71   HD21  LEU   8          1HD2      LEU   8  -0.801   3.057   2.249
   72   HD22  LEU   8          2HD2      LEU   8  -0.512   1.694   1.184
   73   HD23  LEU   8          3HD2      LEU   8  -0.930   1.421   2.872
   74    H    LEU   9           H        LEU   9  -5.391   5.471   1.477
   75    HA   LEU   9           HA       LEU   9  -4.216   7.705   0.225
   76    HB2  LEU   9          2HB       LEU   9  -6.602   6.603   0.014
   77    HB3  LEU   9          1HB       LEU   9  -7.024   7.782   1.261
   78    HG   LEU   9           HG       LEU   9  -5.681   8.463  -1.367
   79   HD11  LEU   9          1HD1      LEU   9  -7.959   7.604  -1.688
   80   HD12  LEU   9          2HD1      LEU   9  -7.897   9.336  -2.014
   81   HD13  LEU   9          3HD1      LEU   9  -8.569   8.748  -0.492
   82   HD21  LEU   9          1HD2      LEU   9  -6.517  10.018   1.056
   83   HD22  LEU   9          2HD2      LEU   9  -6.751  10.774  -0.521
   84   HD23  LEU   9          3HD2      LEU   9  -5.141  10.262  -0.019
   85    H    SER  10           H        SER  10  -5.741   7.346   3.419
   86    HA   SER  10           HA       SER  10  -5.585  10.051   4.165
   87    HB2  SER  10          2HB       SER  10  -5.810   9.210   6.473
   88    HB3  SER  10          1HB       SER  10  -6.952   8.437   5.375
   89    HG   SER  10           HG       SER  10  -5.082   6.838   5.167
   90    H    LYS  11           H        LYS  11  -3.266   7.370   4.534
   91    HA   LYS  11           HA       LYS  11  -1.405   8.931   6.055
   92    HB2  LYS  11          2HB       LYS  11  -1.041   6.388   4.450
   93    HB3  LYS  11          1HB       LYS  11   0.185   7.072   5.517
   94    HG2  LYS  11          2HG       LYS  11  -2.607   6.275   6.410
   95    HG3  LYS  11          1HG       LYS  11  -1.181   5.259   6.599
   96    HD2  LYS  11          2HD       LYS  11  -0.167   7.359   7.806
   97    HD3  LYS  11          1HD       LYS  11  -1.853   7.845   7.986
   98    HE2  LYS  11          2HE       LYS  11  -2.382   5.706   9.067
   99    HE3  LYS  11          1HE       LYS  11  -0.703   5.198   8.890
  100    HZ1  LYS  11          1HZ       LYS  11  -0.468   6.101  10.908
  101    HZ2  LYS  11          2HZ       LYS  11  -1.888   7.025  10.785
  102    HZ3  LYS  11          3HZ       LYS  11  -0.443   7.586  10.089
  103    H    GLY  12           H        GLY  12  -1.658   8.160   2.600
  104    HA2  GLY  12          2HA       GLY  12  -0.310  10.580   1.866
  105    HA3  GLY  12          1HA       GLY  12   0.701   9.161   1.611
  106    H    ARG  13           H        ARG  13  -0.064  10.764  -0.507
  107    HA   ARG  13           HA       ARG  13  -2.334   9.517  -1.855
  108    HB2  ARG  13          2HB       ARG  13  -0.404  11.694  -2.702
  109    HB3  ARG  13          1HB       ARG  13  -1.730  11.102  -3.704
  110    HG2  ARG  13          2HG       ARG  13  -3.349  11.736  -1.971
  111    HG3  ARG  13          1HG       ARG  13  -2.039  12.296  -0.934
  112    HD2  ARG  13          2HD       ARG  13  -2.594  13.408  -3.697
  113    HD3  ARG  13          1HD       ARG  13  -3.185  14.137  -2.208
  114    HE   ARG  13           HE       ARG  13  -0.408  13.803  -1.954
  115   HH11  ARG  13          1HH1      ARG  13   0.957  15.588  -2.281
  116   HH12  ARG  13          2HH1      ARG  13   0.404  16.930  -3.227
  117   HH21  ARG  13          1HH2      ARG  13  -2.708  15.551  -3.870
  118   HH22  ARG  13          2HH2      ARG  13  -1.662  16.906  -4.136
  119    H    ALA  14           H        ALA  14   1.160   9.493  -1.904
  120    HA   ALA  14           HA       ALA  14   1.534   8.204  -4.381
  121    HB1  ALA  14          1HB       ALA  14   3.351   7.661  -2.061
  122    HB2  ALA  14          2HB       ALA  14   3.245   9.296  -2.710
  123    HB3  ALA  14          3HB       ALA  14   3.750   7.967  -3.751
  124    H    LEU  15           H        LEU  15   1.033   6.933  -1.099
  125    HA   LEU  15           HA       LEU  15   1.446   4.219  -1.681
  126    HB2  LEU  15          2HB       LEU  15  -0.503   5.381   0.328
  127    HB3  LEU  15          1HB       LEU  15   0.278   3.802   0.392
  128    HG   LEU  15           HG       LEU  15   1.777   6.429   0.413
  129   HD11  LEU  15          1HD1      LEU  15   0.832   4.641   2.651
  130   HD12  LEU  15          2HD1      LEU  15   0.572   6.371   2.453
  131   HD13  LEU  15          3HD1      LEU  15   2.179   5.764   2.849
  132   HD21  LEU  15          1HD2      LEU  15   3.261   4.802  -0.358
  133   HD22  LEU  15          2HD2      LEU  15   2.530   3.518   0.602
  134   HD23  LEU  15          3HD2      LEU  15   3.532   4.743   1.378
  135    H    TYR  16           H        TYR  16  -1.449   6.245  -1.799
  136    HA   TYR  16           HA       TYR  16  -3.322   4.228  -2.416
  137    HB2  TYR  16          2HB       TYR  16  -3.991   6.418  -1.632
  138    HB3  TYR  16          1HB       TYR  16  -3.290   7.186  -3.051
  139    HD1  TYR  16          1HD       TYR  16  -4.734   7.724  -4.795
  140    HD2  TYR  16          2HD       TYR  16  -5.710   4.442  -2.202
  141    HE1  TYR  16          1HE       TYR  16  -6.889   7.418  -5.989
  142    HE2  TYR  16          2HE       TYR  16  -7.861   4.140  -3.389
  143    HH   TYR  16           HH       TYR  16  -9.197   6.416  -5.379
  144    H    ASN  17           H        ASN  17  -1.392   6.375  -4.491
  145    HA   ASN  17           HA       ASN  17  -2.437   5.536  -6.966
  146    HB2  ASN  17          2HB       ASN  17   0.225   6.699  -6.155
  147    HB3  ASN  17          1HB       ASN  17  -0.141   6.303  -7.831
  148   HD21  ASN  17          1HD2      ASN  17   0.319   8.993  -7.062
  149   HD22  ASN  17          2HD2      ASN  17  -1.136   9.857  -7.182
  150    H    TRP  18           H        TRP  18   0.301   4.339  -5.046
  151    HA   TRP  18           HA       TRP  18   1.252   2.397  -6.829
  152    HB2  TRP  18          2HB       TRP  18   2.567   3.020  -4.920
  153    HB3  TRP  18          1HB       TRP  18   1.290   2.525  -3.813
  154    HD1  TRP  18           HD       TRP  18   1.127  -0.001  -3.179
  155    HE1  TRP  18          1HE       TRP  18   2.549  -2.079  -3.750
  156    HE3  TRP  18          3HE       TRP  18   4.059   1.930  -6.881
  157    HZ2  TRP  18          2HZ       TRP  18   4.662  -2.819  -5.547
  158    HZ3  TRP  18          3HZ       TRP  18   5.764   0.528  -8.004
  159    HH2  TRP  18           HH       TRP  18   6.071  -1.841  -7.344
  160    H    ALA  19           H        ALA  19  -1.159   2.118  -4.208
  161    HA   ALA  19           HA       ALA  19  -1.642  -0.644  -4.466
  162    HB1  ALA  19          1HB       ALA  19  -3.905  -0.004  -3.422
  163    HB2  ALA  19          2HB       ALA  19  -3.283   1.645  -3.407
  164    HB3  ALA  19          3HB       ALA  19  -2.450   0.380  -2.503
  165    H    LYS  20           H        LYS  20  -3.183   2.154  -6.000
  166    HA   LYS  20           HA       LYS  20  -5.197   0.713  -7.365
  167    HB2  LYS  20          2HB       LYS  20  -5.233   3.172  -7.042
  168    HB3  LYS  20          1HB       LYS  20  -3.894   3.322  -8.183
  169    HG2  LYS  20          2HG       LYS  20  -5.264   2.273  -9.943
  170    HG3  LYS  20          1HG       LYS  20  -6.598   2.097  -8.805
  171    HD2  LYS  20          2HD       LYS  20  -6.696   4.556  -8.537
  172    HD3  LYS  20          1HD       LYS  20  -5.372   4.730  -9.688
  173    HE2  LYS  20          2HE       LYS  20  -6.738   3.652 -11.438
  174    HE3  LYS  20          1HE       LYS  20  -8.061   3.454 -10.290
  175    HZ1  LYS  20          1HZ       LYS  20  -7.447   6.093 -10.105
  176    HZ2  LYS  20          2HZ       LYS  20  -8.732   5.438 -11.003
  177    HZ3  LYS  20          3HZ       LYS  20  -7.250   5.781 -11.761
  178    H    SER  21           H        SER  21  -1.941   1.745  -8.347
  179    HA   SER  21           HA       SER  21  -2.038   0.859 -11.011
  180    HB2  SER  21          2HB       SER  21   0.338   1.047  -9.148
  181    HB3  SER  21          1HB       SER  21   0.420   0.923 -10.903
  182    HG   SER  21           HG       SER  21   0.532   3.095 -10.161
  183    H    HIS  22           H        HIS  22  -1.044  -0.842  -8.033
  184    HA   HIS  22           HA       HIS  22  -1.151  -3.376  -9.566
  185    HB2  HIS  22          2HB       HIS  22   0.768  -2.804  -7.312
  186    HB3  HIS  22          1HB       HIS  22   0.745  -4.209  -8.375
  187    HD1  HIS  22          1HD       HIS  22   1.825  -0.654  -8.190
  188    HD2  HIS  22          2HD       HIS  22   1.688  -3.674 -11.063
  189    HE1  HIS  22          1HE       HIS  22   3.282   0.118 -10.110
  190    HE2  HIS  22          2HE       HIS  22   3.212  -1.707 -11.872
  191    H    VAL  23           H        VAL  23  -3.271  -3.693  -8.842
  192    HA   VAL  23           HA       VAL  23  -4.046  -3.678  -6.117
  193    HB   VAL  23           HB       VAL  23  -5.982  -5.002  -6.897
  194   HG11  VAL  23          1HG1      VAL  23  -5.069  -2.633  -8.527
  195   HG12  VAL  23          2HG1      VAL  23  -6.231  -2.662  -7.200
  196   HG13  VAL  23          3HG1      VAL  23  -6.658  -3.359  -8.763
  197   HG21  VAL  23          1HG2      VAL  23  -4.477  -5.029  -9.529
  198   HG22  VAL  23          2HG2      VAL  23  -6.119  -5.624  -9.286
  199   HG23  VAL  23          3HG2      VAL  23  -4.761  -6.433  -8.501
  200    H    GLY  24           H        GLY  24  -2.318  -5.881  -8.113
  201    HA2  GLY  24          2HA       GLY  24  -2.762  -8.295  -6.709
  202    HA3  GLY  24          1HA       GLY  24  -1.358  -7.933  -7.713
  203    H    LYS  25           H        LYS  25  -0.406  -5.660  -6.279
  204    HA   LYS  25           HA       LYS  25   1.174  -6.893  -4.296
  205    HB2  LYS  25          2HB       LYS  25   0.568  -3.959  -4.746
  206    HB3  LYS  25          1HB       LYS  25   1.846  -4.564  -3.696
  207    HG2  LYS  25          2HG       LYS  25   1.714  -5.355  -6.611
  208    HG3  LYS  25          1HG       LYS  25   2.497  -3.859  -6.107
  209    HD2  LYS  25          2HD       LYS  25   3.992  -5.149  -4.604
  210    HD3  LYS  25          1HD       LYS  25   3.241  -6.646  -5.134
  211    HE2  LYS  25          2HE       LYS  25   3.967  -6.236  -7.438
  212    HE3  LYS  25          1HE       LYS  25   4.702  -4.709  -6.945
  213    HZ1  LYS  25          1HZ       LYS  25   5.496  -7.458  -6.175
  214    HZ2  LYS  25          2HZ       LYS  25   6.011  -6.097  -5.297
  215    HZ3  LYS  25          3HZ       LYS  25   6.436  -6.267  -6.934
  216    H    VAL  26           H        VAL  26  -1.744  -4.958  -4.116
  217    HA   VAL  26           HA       VAL  26  -1.900  -4.692  -1.327
  218    HB   VAL  26           HB       VAL  26  -4.041  -4.755  -3.439
  219   HG11  VAL  26          1HG1      VAL  26  -4.121  -4.302  -0.461
  220   HG12  VAL  26          2HG1      VAL  26  -5.191  -5.293  -1.453
  221   HG13  VAL  26          3HG1      VAL  26  -5.305  -3.531  -1.517
  222   HG21  VAL  26          1HG2      VAL  26  -2.661  -2.531  -1.900
  223   HG22  VAL  26          2HG2      VAL  26  -4.006  -2.297  -3.015
  224   HG23  VAL  26          3HG2      VAL  26  -2.457  -2.889  -3.615
  225    H    TRP  27           H        TRP  27  -3.243  -7.063  -3.539
  226    HA   TRP  27           HA       TRP  27  -4.592  -8.639  -1.613
  227    HB2  TRP  27          2HB       TRP  27  -3.492  -9.252  -4.351
  228    HB3  TRP  27          1HB       TRP  27  -4.321 -10.472  -3.383
  229    HD1  TRP  27           HD       TRP  27  -5.030  -8.007  -5.933
  230    HE1  TRP  27          1HE       TRP  27  -7.522  -7.341  -5.956
  231    HE3  TRP  27          3HE       TRP  27  -6.487  -9.927  -1.440
  232    HZ2  TRP  27          2HZ       TRP  27  -9.838  -7.597  -4.279
  233    HZ3  TRP  27          3HZ       TRP  27  -8.833  -9.713  -0.675
  234    HH2  TRP  27           HH       TRP  27 -10.507  -8.552  -2.088
  235    H    GLU  28           H        GLU  28  -1.315  -8.868  -2.966
  236    HA   GLU  28           HA       GLU  28  -0.545 -11.252  -1.742
  237    HB2  GLU  28          2HB       GLU  28   0.756 -10.118  -3.521
  238    HB3  GLU  28          1HB       GLU  28   1.221  -8.872  -2.364
  239    HG2  GLU  28          2HG       GLU  28   2.322 -10.545  -0.954
  240    HG3  GLU  28          1HG       GLU  28   1.800 -11.831  -2.042
  241    H    TRP  29           H        TRP  29  -0.224  -7.874  -0.514
  242    HA   TRP  29           HA       TRP  29   1.103  -8.731   1.865
  243    HB2  TRP  29          2HB       TRP  29  -0.622  -6.288   1.787
  244    HB3  TRP  29          1HB       TRP  29   0.846  -6.578   2.698
  245    HD1  TRP  29           HD       TRP  29  -0.177  -4.486   0.093
  246    HE1  TRP  29          1HE       TRP  29   1.684  -3.914  -1.588
  247    HE3  TRP  29          3HE       TRP  29   3.202  -8.121   1.267
  248    HZ2  TRP  29          2HZ       TRP  29   4.282  -4.861  -2.315
  249    HZ3  TRP  29          3HZ       TRP  29   5.354  -8.244   0.087
  250    HH2  TRP  29           HH       TRP  29   5.908  -6.630  -1.706
  251    H    LEU  30           H        LEU  30  -2.314  -8.245   1.058
  252    HA   LEU  30           HA       LEU  30  -3.285  -8.535   3.704
  253    HB2  LEU  30          2HB       LEU  30  -4.622  -9.075   1.050
  254    HB3  LEU  30          1HB       LEU  30  -5.460  -9.153   2.601
  255    HG   LEU  30           HG       LEU  30  -3.932  -6.727   1.618
  256   HD11  LEU  30          1HD1      LEU  30  -5.793  -6.901   0.165
  257   HD12  LEU  30          2HD1      LEU  30  -6.327  -5.797   1.432
  258   HD13  LEU  30          3HD1      LEU  30  -6.849  -7.480   1.454
  259   HD21  LEU  30          1HD2      LEU  30  -5.634  -5.783   3.489
  260   HD22  LEU  30          2HD2      LEU  30  -4.035  -6.389   3.905
  261   HD23  LEU  30          3HD2      LEU  30  -5.448  -7.426   4.106
  262    H    LYS  31           H        LYS  31  -2.668 -10.936   1.173
  263    HA   LYS  31           HA       LYS  31  -3.677 -13.178   2.562
  264    HB2  LYS  31          2HB       LYS  31  -3.103 -13.133   0.126
  265    HB3  LYS  31          1HB       LYS  31  -1.396 -13.085   0.564
  266    HG2  LYS  31          2HG       LYS  31  -1.640 -15.239   1.751
  267    HG3  LYS  31          1HG       LYS  31  -3.346 -15.287   1.308
  268    HD2  LYS  31          2HD       LYS  31  -2.748 -15.309  -1.077
  269    HD3  LYS  31          1HD       LYS  31  -1.036 -15.229  -0.659
  270    HE2  LYS  31          2HE       LYS  31  -1.711 -17.551  -1.142
  271    HE3  LYS  31          1HE       LYS  31  -1.229 -17.378   0.546
  272    HZ1  LYS  31          1HZ       LYS  31  -3.369 -17.554   1.276
  273    HZ2  LYS  31          2HZ       LYS  31  -3.441 -18.570  -0.083
  274    HZ3  LYS  31          3HZ       LYS  31  -4.044 -16.986  -0.170
  275    H    SER  32           H        SER  32  -0.462 -11.681   2.419
  276    HA   SER  32           HA       SER  32   0.923 -13.560   3.988
  277    HB2  SER  32          2HB       SER  32   2.066 -11.865   2.636
  278    HB3  SER  32          1HB       SER  32   1.440 -10.599   3.689
  279    HG   SER  32           HG       SER  32   3.637 -11.492   4.122
  280    H    GLY  33           H        GLY  33  -0.838 -10.622   4.885
  281    HA2  GLY  33          2HA       GLY  33  -2.067 -10.482   6.944
  282    HA3  GLY  33          1HA       GLY  33  -0.918 -11.599   7.671
  283    H    ALA  34           H        ALA  34   0.861  -9.510   5.848
  284    HA   ALA  34           HA       ALA  34   2.262  -8.323   7.880
  285    HB1  ALA  34          1HB       ALA  34   2.775  -6.496   6.170
  286    HB2  ALA  34          2HB       ALA  34   1.670  -7.341   5.085
  287    HB3  ALA  34          3HB       ALA  34   3.122  -8.151   5.671
  288    H    THR  35           H        THR  35   2.356  -5.795   8.135
  289    HA   THR  35           HA       THR  35  -0.308  -4.974   9.110
  290    HB   THR  35           HB       THR  35   0.895  -3.401  10.517
  291    HG1  THR  35          1HG       THR  35   3.253  -4.401   9.310
  292   HG21  THR  35          1HG2      THR  35   0.703  -5.691  11.352
  293   HG22  THR  35          2HG2      THR  35   2.252  -5.000  11.845
  294   HG23  THR  35          3HG2      THR  35   2.183  -6.144  10.504
  295    H    TYR  36           H        TYR  36  -1.139  -2.890   8.641
  296    HA   TYR  36           HA       TYR  36  -0.830  -2.033   5.988
  297    HB2  TYR  36          2HB       TYR  36  -1.867  -0.368   8.293
  298    HB3  TYR  36          1HB       TYR  36  -2.195  -0.132   6.576
  299    HD1  TYR  36          1HD       TYR  36  -2.997  -2.473   5.376
  300    HD2  TYR  36          2HD       TYR  36  -3.548  -1.390   9.487
  301    HE1  TYR  36          1HE       TYR  36  -4.910  -4.051   5.533
  302    HE2  TYR  36          2HE       TYR  36  -5.444  -2.967   9.653
  303    HH   TYR  36           HH       TYR  36  -7.134  -3.974   7.979
  304    H    GLU  37           H        GLU  37   0.619  -0.821   8.972
  305    HA   GLU  37           HA       GLU  37   1.895   1.424   7.853
  306    HB2  GLU  37          2HB       GLU  37   3.498   0.991   9.897
  307    HB3  GLU  37          1HB       GLU  37   1.842   1.529  10.164
  308    HG2  GLU  37          2HG       GLU  37   1.115  -0.726  10.648
  309    HG3  GLU  37          1HG       GLU  37   2.680  -1.389  10.169
  310    H    GLN  38           H        GLN  38   3.167  -1.839   8.504
  311    HA   GLN  38           HA       GLN  38   5.744  -1.368   7.509
  312    HB2  GLN  38          2HB       GLN  38   5.268  -3.330   8.798
  313    HB3  GLN  38          1HB       GLN  38   4.088  -3.884   7.616
  314    HG2  GLN  38          2HG       GLN  38   5.799  -4.236   5.972
  315    HG3  GLN  38          1HG       GLN  38   7.024  -3.481   6.992
  316   HE21  GLN  38          1HE2      GLN  38   5.373  -6.481   6.324
  317   HE22  GLN  38          2HE2      GLN  38   6.102  -7.387   7.560
  318    H    ILE  39           H        ILE  39   2.783  -2.418   5.851
  319    HA   ILE  39           HA       ILE  39   3.994  -2.963   3.362
  320    HB   ILE  39           HB       ILE  39   1.152  -2.162   4.021
  321   HG12  ILE  39          2HG1      ILE  39   2.239  -4.884   3.304
  322   HG13  ILE  39          1HG1      ILE  39   2.280  -4.313   4.970
  323   HG21  ILE  39          1HG2      ILE  39   0.669  -3.229   1.805
  324   HG22  ILE  39          2HG2      ILE  39   2.403  -3.353   1.513
  325   HG23  ILE  39          3HG2      ILE  39   1.638  -1.765   1.635
  326   HD11  ILE  39          1HD1      ILE  39   0.217  -5.566   4.636
  327   HD12  ILE  39          2HD1      ILE  39  -0.180  -4.586   3.227
  328   HD13  ILE  39          3HD1      ILE  39  -0.170  -3.863   4.823
  329    H    LYS  40           H        LYS  40   2.492   0.107   4.602
  330    HA   LYS  40           HA       LYS  40   2.998   1.374   2.082
  331    HB2  LYS  40          2HB       LYS  40   2.793   3.587   3.194
  332    HB3  LYS  40          1HB       LYS  40   1.368   2.531   3.371
  333    HG2  LYS  40          2HG       LYS  40   1.918   1.992   5.625
  334    HG3  LYS  40          1HG       LYS  40   3.534   2.704   5.483
  335    HD2  LYS  40          2HD       LYS  40   2.472   4.924   5.070
  336    HD3  LYS  40          1HD       LYS  40   0.892   4.184   5.320
  337    HE2  LYS  40          2HE       LYS  40   1.428   3.633   7.607
  338    HE3  LYS  40          1HE       LYS  40   3.105   4.132   7.386
  339    HZ1  LYS  40          1HZ       LYS  40   1.893   5.864   8.478
  340    HZ2  LYS  40          2HZ       LYS  40   0.697   5.862   7.275
  341    HZ3  LYS  40          3HZ       LYS  40   2.271   6.388   6.911
  342    H    GLU  41           H        GLU  41   4.868   0.939   5.024
  343    HA   GLU  41           HA       GLU  41   6.886   2.772   4.568
  344    HB2  GLU  41          2HB       GLU  41   6.700   1.432   6.634
  345    HB3  GLU  41          1HB       GLU  41   7.177  -0.004   5.727
  346    HG2  GLU  41          2HG       GLU  41   9.310   1.053   5.141
  347    HG3  GLU  41          1HG       GLU  41   8.837   2.516   5.999
  348    H    TRP  42           H        TRP  42   6.624  -0.619   3.468
  349    HA   TRP  42           HA       TRP  42   9.034  -0.681   1.983
  350    HB2  TRP  42          2HB       TRP  42   6.416  -2.110   1.448
  351    HB3  TRP  42          1HB       TRP  42   7.942  -2.498   0.673
  352    HD1  TRP  42           HD       TRP  42   9.681  -2.221   3.503
  353    HE1  TRP  42          1HE       TRP  42   9.525  -4.210   5.129
  354    HE3  TRP  42          3HE       TRP  42   5.342  -4.345   1.880
  355    HZ2  TRP  42          2HZ       TRP  42   7.792  -6.418   5.674
  356    HZ3  TRP  42          3HZ       TRP  42   4.448  -6.382   2.968
  357    HH2  TRP  42           HH       TRP  42   5.668  -7.423   4.861
  358    H    ILE  43           H        ILE  43   5.729   0.178   1.078
  359    HA   ILE  43           HA       ILE  43   6.246   0.596  -1.677
  360    HB   ILE  43           HB       ILE  43   4.123   1.747   0.134
  361   HG12  ILE  43          2HG1      ILE  43   3.934  -0.427  -1.969
  362   HG13  ILE  43          1HG1      ILE  43   4.215  -0.761  -0.259
  363   HG21  ILE  43          1HG2      ILE  43   2.922   2.107  -2.100
  364   HG22  ILE  43          2HG2      ILE  43   4.505   1.924  -2.858
  365   HG23  ILE  43          3HG2      ILE  43   4.222   3.238  -1.719
  366   HD11  ILE  43          1HD1      ILE  43   2.114   0.111   0.379
  367   HD12  ILE  43          2HD1      ILE  43   1.763  -0.797  -1.089
  368   HD13  ILE  43          3HD1      ILE  43   1.903   0.958  -1.151
  369    H    GLU  44           H        GLU  44   6.241   2.961   1.009
  370    HA   GLU  44           HA       GLU  44   6.752   5.090  -0.750
  371    HB2  GLU  44          2HB       GLU  44   7.096   6.490   1.176
  372    HB3  GLU  44          1HB       GLU  44   5.684   5.461   1.438
  373    HG2  GLU  44          2HG       GLU  44   6.585   4.624   3.325
  374    HG3  GLU  44          1HG       GLU  44   8.029   4.113   2.465
  375    H    ASN  45           H        ASN  45   8.915   2.886   1.025
  376    HA   ASN  45           HA       ASN  45  11.310   4.316   0.527
  377    HB2  ASN  45          2HB       ASN  45  11.228   2.465   2.123
  378    HB3  ASN  45          1HB       ASN  45  10.855   1.340   0.822
  379   HD21  ASN  45          1HD2      ASN  45  13.392   3.639   1.905
  380   HD22  ASN  45          2HD2      ASN  45  14.675   2.814   1.160
  381    H    ALA  46           H        ALA  46   9.553   1.856  -1.337
  382    HA   ALA  46           HA       ALA  46  11.440   1.604  -3.409
  383    HB1  ALA  46          1HB       ALA  46   8.448   1.236  -3.614
  384    HB2  ALA  46          2HB       ALA  46   9.548   0.018  -2.965
  385    HB3  ALA  46          3HB       ALA  46   9.680   0.517  -4.651
  386    H    LEU  47           H        LEU  47   8.595   3.664  -2.999
  387    HA   LEU  47           HA       LEU  47   8.589   4.900  -5.489
  388    HB2  LEU  47          2HB       LEU  47   6.956   5.008  -3.415
  389    HB3  LEU  47          1HB       LEU  47   7.922   6.405  -2.973
  390    HG   LEU  47           HG       LEU  47   6.112   7.294  -4.200
  391   HD11  LEU  47          1HD1      LEU  47   8.413   8.048  -4.933
  392   HD12  LEU  47          2HD1      LEU  47   7.122   8.318  -6.100
  393   HD13  LEU  47          3HD1      LEU  47   8.241   6.979  -6.324
  394   HD21  LEU  47          1HD2      LEU  47   5.468   4.990  -5.140
  395   HD22  LEU  47          2HD2      LEU  47   6.579   5.343  -6.467
  396   HD23  LEU  47          3HD2      LEU  47   5.183   6.379  -6.189
  397    H    GLY  48           H        GLY  48  10.270   5.819  -2.467
  398    HA2  GLY  48          2HA       GLY  48  11.438   8.204  -3.351
  399    HA3  GLY  48          1HA       GLY  48  12.062   7.187  -2.056
  400    H    TRP  49           H        TRP  49  12.676   4.849  -3.505
  401    HA   TRP  49           HA       TRP  49  14.217   5.479  -5.833
  402    HB2  TRP  49          2HB       TRP  49  16.450   5.239  -4.905
  403    HB3  TRP  49          1HB       TRP  49  15.614   6.598  -4.153
  404    HD1  TRP  49           HD       TRP  49  14.689   6.239  -1.650
  405    HE1  TRP  49          1HE       TRP  49  15.460   4.646   0.225
  406    HE3  TRP  49          3HE       TRP  49  17.442   2.926  -4.388
  407    HZ2  TRP  49          2HZ       TRP  49  17.038   2.276   0.522
  408    HZ3  TRP  49          3HZ       TRP  49  18.567   1.012  -3.288
  409    HH2  TRP  49           HH       TRP  49  18.369   0.685  -0.837
  410    H    ARG  50           H        ARG  50  14.629   3.271  -3.035
  411    HA   ARG  50           HA       ARG  50  15.616   1.080  -4.237
  412    HB2  ARG  50          2HB       ARG  50  15.012   1.176  -1.844
  413    HB3  ARG  50          1HB       ARG  50  13.314   0.993  -2.270
  414    HG2  ARG  50          2HG       ARG  50  13.805  -1.184  -3.328
  415    HG3  ARG  50          1HG       ARG  50  15.510  -1.000  -2.909
  416    HD2  ARG  50          2HD       ARG  50  14.860  -0.876  -0.505
  417    HD3  ARG  50          1HD       ARG  50  13.187  -1.171  -0.967
  418    HE   ARG  50           HE       ARG  50  13.738  -3.408  -1.390
  419   HH11  ARG  50          1HH1      ARG  50  15.131  -5.181  -1.102
  420   HH12  ARG  50          2HH1      ARG  50  16.812  -4.911  -0.781
  421   HH21  ARG  50          1HH2      ARG  50  16.539  -1.450  -0.886
  422   HH22  ARG  50          2HH2      ARG  50  17.611  -2.791  -0.663
  Start of MODEL   12
    1    H    FME   1           H        FME   1 -12.187  -3.763   1.912
    2    HCN  FME   1           HF       FME   1 -11.842  -5.947   2.667
    3    HA   FME   1           HA       FME   1  -9.510  -3.836   0.841
    4    HB2  FME   1          1HB       FME   1 -11.797  -3.690  -1.136
    5    HB3  FME   1          2HB       FME   1 -10.859  -5.154  -0.837
    6    HG2  FME   1          1HG       FME   1  -9.387  -2.609  -1.444
    7    HG3  FME   1          2HG       FME   1 -10.165  -3.472  -2.771
    8    HE1  FME   1          1HE       FME   1  -7.631  -3.513  -3.719
    9    HE2  FME   1          2HE       FME   1  -8.792  -4.757  -4.172
   10    HE3  FME   1          3HE       FME   1  -7.129  -5.207  -3.802
   11    H    ALA   2           H        ALA   2 -12.676  -2.287   0.934
   12    HA   ALA   2           HA       ALA   2 -11.892   0.265   0.030
   13    HB1  ALA   2          1HB       ALA   2 -13.963   1.046   1.180
   14    HB2  ALA   2          2HB       ALA   2 -14.127  -0.555   1.902
   15    HB3  ALA   2          3HB       ALA   2 -14.238  -0.366   0.155
   16    H    GLY   3           H        GLY   3 -11.992  -1.159   3.284
   17    HA2  GLY   3          2HA       GLY   3 -11.329   1.173   4.734
   18    HA3  GLY   3          1HA       GLY   3 -11.070  -0.476   5.284
   19    H    LEU   4           H        LEU   4  -9.358  -1.364   3.258
   20    HA   LEU   4           HA       LEU   4  -6.834  -0.534   4.193
   21    HB2  LEU   4          2HB       LEU   4  -7.297  -2.726   3.120
   22    HB3  LEU   4          1HB       LEU   4  -7.539  -1.897   1.581
   23    HG   LEU   4           HG       LEU   4  -5.083  -0.905   2.243
   24   HD11  LEU   4          1HD1      LEU   4  -3.723  -2.494   3.343
   25   HD12  LEU   4          2HD1      LEU   4  -4.967  -3.739   3.265
   26   HD13  LEU   4          3HD1      LEU   4  -5.172  -2.354   4.338
   27   HD21  LEU   4          1HD2      LEU   4  -5.672  -3.558   0.890
   28   HD22  LEU   4          2HD2      LEU   4  -4.133  -2.698   0.785
   29   HD23  LEU   4          3HD2      LEU   4  -5.590  -1.978   0.118
   30    H    LEU   5           H        LEU   5  -8.663   0.298   1.250
   31    HA   LEU   5           HA       LEU   5  -6.681   1.911   0.061
   32    HB2  LEU   5          2HB       LEU   5  -9.700   1.950  -0.150
   33    HB3  LEU   5          1HB       LEU   5  -8.638   2.921  -1.170
   34    HG   LEU   5           HG       LEU   5  -8.470  -0.097  -0.928
   35   HD11  LEU   5          1HD1      LEU   5  -9.393   0.043  -3.324
   36   HD12  LEU   5          2HD1      LEU   5  -9.865   1.694  -2.921
   37   HD13  LEU   5          3HD1      LEU   5 -10.539   0.341  -2.015
   38   HD21  LEU   5          1HD2      LEU   5  -6.922   2.005  -2.390
   39   HD22  LEU   5          2HD2      LEU   5  -7.243   0.507  -3.259
   40   HD23  LEU   5          3HD2      LEU   5  -6.376   0.469  -1.723
   41    H    ARG   6           H        ARG   6  -9.351   2.715   2.275
   42    HA   ARG   6           HA       ARG   6  -9.005   5.500   2.304
   43    HB2  ARG   6          2HB       ARG   6 -10.937   4.262   3.304
   44    HB3  ARG   6          1HB       ARG   6  -9.873   3.735   4.606
   45    HG2  ARG   6          2HG       ARG   6  -9.407   6.407   4.716
   46    HG3  ARG   6          1HG       ARG   6 -11.038   6.431   4.068
   47    HD2  ARG   6          2HD       ARG   6 -11.753   4.936   5.941
   48    HD3  ARG   6          1HD       ARG   6 -10.133   5.070   6.611
   49    HE   ARG   6           HE       ARG   6 -11.353   7.635   6.130
   50   HH11  ARG   6          1HH1      ARG   6 -11.904   8.831   7.978
   51   HH12  ARG   6          2HH1      ARG   6 -11.976   8.048   9.523
   52   HH21  ARG   6          1HH2      ARG   6 -11.095   4.929   8.265
   53   HH22  ARG   6          2HH2      ARG   6 -11.513   5.829   9.687
   54    H    PHE   7           H        PHE   7  -7.595   2.951   4.321
   55    HA   PHE   7           HA       PHE   7  -6.162   4.594   6.079
   56    HB2  PHE   7          2HB       PHE   7  -6.587   2.113   6.291
   57    HB3  PHE   7          1HB       PHE   7  -5.324   1.858   5.094
   58    HD1  PHE   7          1HD       PHE   7  -3.025   1.887   5.707
   59    HD2  PHE   7          2HD       PHE   7  -5.999   3.366   8.431
   60    HE1  PHE   7          1HE       PHE   7  -1.308   2.024   7.507
   61    HE2  PHE   7          2HE       PHE   7  -4.291   3.507  10.223
   62    HZ   PHE   7           HZ       PHE   7  -1.954   2.831   9.762
   63    H    LEU   8           H        LEU   8  -5.197   3.076   3.020
   64    HA   LEU   8           HA       LEU   8  -2.517   3.946   3.033
   65    HB2  LEU   8          2HB       LEU   8  -4.440   3.121   0.870
   66    HB3  LEU   8          1HB       LEU   8  -2.823   3.691   0.465
   67    HG   LEU   8           HG       LEU   8  -3.098   1.596   2.600
   68   HD11  LEU   8          1HD1      LEU   8  -3.132  -0.197   0.975
   69   HD12  LEU   8          2HD1      LEU   8  -3.055   0.947  -0.360
   70   HD13  LEU   8          3HD1      LEU   8  -4.509   0.851   0.637
   71   HD21  LEU   8          1HD2      LEU   8  -0.911   2.642   2.039
   72   HD22  LEU   8          2HD2      LEU   8  -1.094   2.079   0.377
   73   HD23  LEU   8          3HD2      LEU   8  -0.920   0.911   1.691
   74    H    LEU   9           H        LEU   9  -5.458   5.435   1.718
   75    HA   LEU   9           HA       LEU   9  -4.230   7.649   0.492
   76    HB2  LEU   9          2HB       LEU   9  -6.546   6.886   0.106
   77    HB3  LEU   9          1HB       LEU   9  -6.990   7.445   1.706
   78    HG   LEU   9           HG       LEU   9  -6.292   9.744   1.083
   79   HD11  LEU   9          1HD1      LEU   9  -5.552   8.308  -1.449
   80   HD12  LEU   9          2HD1      LEU   9  -4.687   9.593  -0.604
   81   HD13  LEU   9          3HD1      LEU   9  -6.118   9.976  -1.560
   82   HD21  LEU   9          1HD2      LEU   9  -8.196  10.199  -0.389
   83   HD22  LEU   9          2HD2      LEU   9  -8.645   8.952   0.777
   84   HD23  LEU   9          3HD2      LEU   9  -8.246   8.507  -0.881
   85    H    SER  10           H        SER  10  -5.642   7.247   3.739
   86    HA   SER  10           HA       SER  10  -5.326   9.900   4.599
   87    HB2  SER  10          2HB       SER  10  -5.227   7.363   6.244
   88    HB3  SER  10          1HB       SER  10  -5.508   8.982   6.868
   89    HG   SER  10           HG       SER  10  -7.394   7.542   6.325
   90    H    LYS  11           H        LYS  11  -3.129   7.122   4.690
   91    HA   LYS  11           HA       LYS  11  -1.119   8.501   6.186
   92    HB2  LYS  11          2HB       LYS  11  -0.961   6.025   4.465
   93    HB3  LYS  11          1HB       LYS  11   0.357   6.613   5.475
   94    HG2  LYS  11          2HG       LYS  11  -2.398   5.976   6.566
   95    HG3  LYS  11          1HG       LYS  11  -1.096   4.797   6.512
   96    HD2  LYS  11          2HD       LYS  11   0.303   6.548   7.801
   97    HD3  LYS  11          1HD       LYS  11  -1.231   7.353   8.119
   98    HE2  LYS  11          2HE       LYS  11  -2.135   5.385   9.181
   99    HE3  LYS  11          1HE       LYS  11  -0.706   4.447   8.739
  100    HZ1  LYS  11          1HZ       LYS  11   0.019   5.046  10.748
  101    HZ2  LYS  11          2HZ       LYS  11  -1.083   6.331  10.889
  102    HZ3  LYS  11          3HZ       LYS  11   0.370   6.541  10.030
  103    H    GLY  12           H        GLY  12  -1.551   7.908   2.703
  104    HA2  GLY  12          2HA       GLY  12  -0.161  10.313   2.038
  105    HA3  GLY  12          1HA       GLY  12   0.840   8.897   1.723
  106    H    ARG  13           H        ARG  13  -0.302  10.832  -0.175
  107    HA   ARG  13           HA       ARG  13  -2.445   9.549  -1.601
  108    HB2  ARG  13          2HB       ARG  13  -0.552  11.806  -2.292
  109    HB3  ARG  13          1HB       ARG  13  -1.802  11.225  -3.394
  110    HG2  ARG  13          2HG       ARG  13  -3.533  11.681  -1.726
  111    HG3  ARG  13          1HG       ARG  13  -2.310  12.219  -0.575
  112    HD2  ARG  13          2HD       ARG  13  -1.665  14.038  -2.106
  113    HD3  ARG  13          1HD       ARG  13  -2.876  13.494  -3.264
  114    HE   ARG  13           HE       ARG  13  -3.979  14.056  -0.658
  115   HH11  ARG  13          1HH1      ARG  13  -5.357  15.851  -0.532
  116   HH12  ARG  13          2HH1      ARG  13  -5.378  17.014  -1.814
  117   HH21  ARG  13          1HH2      ARG  13  -2.973  15.380  -3.698
  118   HH22  ARG  13          2HH2      ARG  13  -4.034  16.745  -3.606
  119    H    ALA  14           H        ALA  14   1.016   9.631  -1.661
  120    HA   ALA  14           HA       ALA  14   1.496   8.419  -4.139
  121    HB1  ALA  14          1HB       ALA  14   3.030   8.709  -1.583
  122    HB2  ALA  14          2HB       ALA  14   3.400   9.353  -3.184
  123    HB3  ALA  14          3HB       ALA  14   3.657   7.642  -2.844
  124    H    LEU  15           H        LEU  15   1.000   7.057  -0.911
  125    HA   LEU  15           HA       LEU  15   1.531   4.351  -1.487
  126    HB2  LEU  15          2HB       LEU  15  -0.557   5.393   0.440
  127    HB3  LEU  15          1HB       LEU  15   0.329   3.867   0.539
  128    HG   LEU  15           HG       LEU  15   1.657   6.592   0.644
  129   HD11  LEU  15          1HD1      LEU  15   0.613   4.785   2.823
  130   HD12  LEU  15          2HD1      LEU  15   0.401   6.529   2.637
  131   HD13  LEU  15          3HD1      LEU  15   1.968   5.876   3.113
  132   HD21  LEU  15          1HD2      LEU  15   3.434   5.089   1.738
  133   HD22  LEU  15          2HD2      LEU  15   3.266   5.002  -0.012
  134   HD23  LEU  15          3HD2      LEU  15   2.566   3.742   1.011
  135    H    TYR  16           H        TYR  16  -1.475   6.218  -1.613
  136    HA   TYR  16           HA       TYR  16  -3.226   4.128  -2.303
  137    HB2  TYR  16          2HB       TYR  16  -4.025   6.294  -1.525
  138    HB3  TYR  16          1HB       TYR  16  -3.343   7.085  -2.943
  139    HD1  TYR  16          1HD       TYR  16  -4.507   7.098  -5.036
  140    HD2  TYR  16          2HD       TYR  16  -5.899   4.646  -1.799
  141    HE1  TYR  16          1HE       TYR  16  -6.612   6.651  -6.280
  142    HE2  TYR  16          2HE       TYR  16  -7.997   4.201  -3.034
  143    HH   TYR  16           HH       TYR  16  -9.290   5.715  -5.067
  144    H    ASN  17           H        ASN  17  -1.384   6.397  -4.300
  145    HA   ASN  17           HA       ASN  17  -2.344   5.517  -6.809
  146    HB2  ASN  17          2HB       ASN  17  -1.120   7.630  -6.531
  147    HB3  ASN  17          1HB       ASN  17   0.346   6.736  -6.122
  148   HD21  ASN  17          1HD2      ASN  17   1.595   7.334  -7.977
  149   HD22  ASN  17          2HD2      ASN  17   1.165   6.884  -9.558
  150    H    TRP  18           H        TRP  18   0.474   4.516  -4.884
  151    HA   TRP  18           HA       TRP  18   1.567   2.709  -6.725
  152    HB2  TRP  18          2HB       TRP  18   2.901   3.288  -4.853
  153    HB3  TRP  18          1HB       TRP  18   1.631   2.846  -3.722
  154    HD1  TRP  18           HD       TRP  18   1.328   0.317  -3.115
  155    HE1  TRP  18          1HE       TRP  18   2.759  -1.780  -3.535
  156    HE3  TRP  18          3HE       TRP  18   4.621   2.168  -6.554
  157    HZ2  TRP  18          2HZ       TRP  18   4.999  -2.580  -5.111
  158    HZ3  TRP  18          3HZ       TRP  18   6.405   0.721  -7.490
  159    HH2  TRP  18           HH       TRP  18   6.598  -1.647  -6.768
  160    H    ALA  19           H        ALA  19  -0.866   2.196  -4.174
  161    HA   ALA  19           HA       ALA  19  -1.145  -0.581  -4.488
  162    HB1  ALA  19          1HB       ALA  19  -3.499  -0.107  -3.535
  163    HB2  ALA  19          2HB       ALA  19  -2.980   1.576  -3.460
  164    HB3  ALA  19          3HB       ALA  19  -2.110   0.344  -2.544
  165    H    LYS  20           H        LYS  20  -2.841   2.130  -6.027
  166    HA   LYS  20           HA       LYS  20  -4.687   0.568  -7.500
  167    HB2  LYS  20          2HB       LYS  20  -4.896   3.020  -7.160
  168    HB3  LYS  20          1HB       LYS  20  -3.526   3.258  -8.247
  169    HG2  LYS  20          2HG       LYS  20  -4.757   2.181 -10.078
  170    HG3  LYS  20          1HG       LYS  20  -6.117   1.862  -9.001
  171    HD2  LYS  20          2HD       LYS  20  -6.409   4.288  -8.656
  172    HD3  LYS  20          1HD       LYS  20  -5.062   4.602  -9.752
  173    HE2  LYS  20          2HE       LYS  20  -6.273   3.497 -11.583
  174    HE3  LYS  20          1HE       LYS  20  -7.612   3.138 -10.495
  175    HZ1  LYS  20          1HZ       LYS  20  -7.626   5.261 -11.996
  176    HZ2  LYS  20          2HZ       LYS  20  -6.713   5.912 -10.719
  177    HZ3  LYS  20          3HZ       LYS  20  -8.269   5.296 -10.427
  178    H    SER  21           H        SER  21  -1.477   1.815  -8.307
  179    HA   SER  21           HA       SER  21  -1.398   0.969 -10.988
  180    HB2  SER  21          2HB       SER  21   0.135   2.627 -10.046
  181    HB3  SER  21          1HB       SER  21   0.868   1.384  -9.037
  182    HG   SER  21           HG       SER  21   2.019   1.753 -10.993
  183    H    HIS  22           H        HIS  22  -0.306  -0.680  -8.013
  184    HA   HIS  22           HA       HIS  22  -0.122  -3.187  -9.590
  185    HB2  HIS  22          2HB       HIS  22   1.812  -2.133  -7.518
  186    HB3  HIS  22          1HB       HIS  22   1.768  -3.826  -8.019
  187    HD1  HIS  22          1HD       HIS  22   2.350  -0.360  -9.418
  188    HD2  HIS  22          2HD       HIS  22   2.970  -4.336 -10.502
  189    HE1  HIS  22          1HE       HIS  22   3.728  -0.314 -11.539
  190    HE2  HIS  22          2HE       HIS  22   4.127  -2.734 -12.207
  191    H    VAL  23           H        VAL  23  -2.226  -3.710  -8.874
  192    HA   VAL  23           HA       VAL  23  -2.931  -3.832  -6.122
  193    HB   VAL  23           HB       VAL  23  -4.222  -5.515  -8.251
  194   HG11  VAL  23          1HG1      VAL  23  -5.472  -3.847  -6.074
  195   HG12  VAL  23          2HG1      VAL  23  -4.855  -5.470  -5.758
  196   HG13  VAL  23          3HG1      VAL  23  -6.157  -5.234  -6.925
  197   HG21  VAL  23          1HG2      VAL  23  -3.996  -3.410  -9.380
  198   HG22  VAL  23          2HG2      VAL  23  -4.347  -2.502  -7.910
  199   HG23  VAL  23          3HG2      VAL  23  -5.628  -3.418  -8.708
  200    H    GLY  24           H        GLY  24  -1.214  -5.991  -8.245
  201    HA2  GLY  24          2HA       GLY  24  -1.682  -8.431  -6.950
  202    HA3  GLY  24          1HA       GLY  24  -0.222  -8.038  -7.856
  203    H    LYS  25           H        LYS  25   0.880  -6.022  -6.356
  204    HA   LYS  25           HA       LYS  25   2.151  -7.449  -4.270
  205    HB2  LYS  25          2HB       LYS  25   2.069  -4.506  -4.952
  206    HB3  LYS  25          1HB       LYS  25   3.129  -5.211  -3.761
  207    HG2  LYS  25          2HG       LYS  25   3.079  -6.147  -6.613
  208    HG3  LYS  25          1HG       LYS  25   4.173  -4.899  -6.027
  209    HD2  LYS  25          2HD       LYS  25   4.818  -6.671  -4.203
  210    HD3  LYS  25          1HD       LYS  25   4.116  -7.827  -5.326
  211    HE2  LYS  25          2HE       LYS  25   6.327  -7.803  -6.036
  212    HE3  LYS  25          1HE       LYS  25   5.598  -6.602  -7.110
  213    HZ1  LYS  25          1HZ       LYS  25   6.669  -5.739  -4.514
  214    HZ2  LYS  25          2HZ       LYS  25   6.539  -4.874  -5.973
  215    HZ3  LYS  25          3HZ       LYS  25   7.750  -6.045  -5.783
  216    H    VAL  26           H        VAL  26  -0.550  -5.195  -4.280
  217    HA   VAL  26           HA       VAL  26  -0.795  -4.841  -1.461
  218    HB   VAL  26           HB       VAL  26  -2.825  -4.628  -3.711
  219   HG11  VAL  26          1HG1      VAL  26  -3.010  -4.112  -0.744
  220   HG12  VAL  26          2HG1      VAL  26  -4.133  -5.006  -1.768
  221   HG13  VAL  26          3HG1      VAL  26  -4.038  -3.248  -1.887
  222   HG21  VAL  26          1HG2      VAL  26  -2.500  -2.197  -3.266
  223   HG22  VAL  26          2HG2      VAL  26  -1.009  -2.982  -3.783
  224   HG23  VAL  26          3HG2      VAL  26  -1.263  -2.607  -2.078
  225    H    TRP  27           H        TRP  27  -2.279  -7.074  -3.794
  226    HA   TRP  27           HA       TRP  27  -3.936  -8.428  -2.020
  227    HB2  TRP  27          2HB       TRP  27  -2.590  -9.274  -4.579
  228    HB3  TRP  27          1HB       TRP  27  -3.572 -10.398  -3.647
  229    HD1  TRP  27           HD       TRP  27  -3.898  -8.018  -6.350
  230    HE1  TRP  27          1HE       TRP  27  -6.341  -7.264  -6.662
  231    HE3  TRP  27          3HE       TRP  27  -5.891  -9.648  -1.943
  232    HZ2  TRP  27          2HZ       TRP  27  -8.810  -7.338  -5.233
  233    HZ3  TRP  27          3HZ       TRP  27  -8.290  -9.293  -1.445
  234    HH2  TRP  27           HH       TRP  27  -9.754  -8.140  -3.082
  235    H    GLU  28           H        GLU  28  -0.542  -8.967  -2.893
  236    HA   GLU  28           HA       GLU  28   0.032 -11.329  -1.581
  237    HB2  GLU  28          2HB       GLU  28   1.794  -8.861  -1.713
  238    HB3  GLU  28          1HB       GLU  28   2.335 -10.438  -1.177
  239    HG2  GLU  28          2HG       GLU  28   1.171  -9.930  -3.908
  240    HG3  GLU  28          1HG       GLU  28   2.884  -9.860  -3.568
  241    H    TRP  29           H        TRP  29   0.292  -7.979  -0.208
  242    HA   TRP  29           HA       TRP  29   0.931  -9.133   2.382
  243    HB2  TRP  29          2HB       TRP  29   0.179  -6.303   1.642
  244    HB3  TRP  29          1HB       TRP  29   0.766  -6.815   3.236
  245    HD1  TRP  29           HD       TRP  29   3.130  -8.483   2.960
  246    HE1  TRP  29          1HE       TRP  29   5.182  -7.978   1.474
  247    HE3  TRP  29          3HE       TRP  29   1.087  -5.053  -0.147
  248    HZ2  TRP  29          2HZ       TRP  29   5.845  -6.337  -0.765
  249    HZ3  TRP  29          3HZ       TRP  29   2.407  -4.052  -1.950
  250    HH2  TRP  29           HH       TRP  29   4.792  -4.689  -2.277
  251    H    LEU  30           H        LEU  30  -2.054  -8.074   0.906
  252    HA   LEU  30           HA       LEU  30  -3.600  -8.060   3.288
  253    HB2  LEU  30          2HB       LEU  30  -4.233  -8.312   0.382
  254    HB3  LEU  30          1HB       LEU  30  -5.481  -8.772   1.526
  255    HG   LEU  30           HG       LEU  30  -5.420  -6.315   0.686
  256   HD11  LEU  30          1HD1      LEU  30  -6.360  -5.540   2.760
  257   HD12  LEU  30          2HD1      LEU  30  -5.487  -6.764   3.678
  258   HD13  LEU  30          3HD1      LEU  30  -6.789  -7.240   2.591
  259   HD21  LEU  30          1HD2      LEU  30  -2.863  -6.228   1.395
  260   HD22  LEU  30          2HD2      LEU  30  -3.539  -5.816   2.970
  261   HD23  LEU  30          3HD2      LEU  30  -3.891  -4.821   1.568
  262    H    LYS  31           H        LYS  31  -2.804 -10.693   1.027
  263    HA   LYS  31           HA       LYS  31  -4.392 -12.666   2.301
  264    HB2  LYS  31          2HB       LYS  31  -1.948 -12.890   0.533
  265    HB3  LYS  31          1HB       LYS  31  -2.864 -14.285   1.102
  266    HG2  LYS  31          2HG       LYS  31  -4.895 -13.414   0.034
  267    HG3  LYS  31          1HG       LYS  31  -4.016 -11.986  -0.503
  268    HD2  LYS  31          2HD       LYS  31  -2.509 -13.400  -1.846
  269    HD3  LYS  31          1HD       LYS  31  -3.371 -14.839  -1.302
  270    HE2  LYS  31          2HE       LYS  31  -5.440 -14.017  -2.341
  271    HE3  LYS  31          1HE       LYS  31  -4.609 -12.549  -2.858
  272    HZ1  LYS  31          1HZ       LYS  31  -4.276 -13.744  -4.714
  273    HZ2  LYS  31          2HZ       LYS  31  -4.471 -15.242  -3.939
  274    HZ3  LYS  31          3HZ       LYS  31  -2.988 -14.417  -3.841
  275    H    SER  32           H        SER  32  -1.012 -11.697   2.662
  276    HA   SER  32           HA       SER  32  -0.337 -13.702   4.584
  277    HB2  SER  32          2HB       SER  32   1.662 -12.347   5.008
  278    HB3  SER  32          1HB       SER  32   1.383 -12.525   3.277
  279    HG   SER  32           HG       SER  32   1.577 -10.297   4.692
  280    H    GLY  33           H        GLY  33  -1.713 -10.475   4.793
  281    HA2  GLY  33          2HA       GLY  33  -2.993  -9.643   6.577
  282    HA3  GLY  33          1HA       GLY  33  -2.399 -10.953   7.590
  283    H    ALA  34           H        ALA  34  -0.276  -8.895   5.683
  284    HA   ALA  34           HA       ALA  34   1.311  -8.233   7.954
  285    HB1  ALA  34          1HB       ALA  34   2.783  -7.309   6.457
  286    HB2  ALA  34          2HB       ALA  34   1.512  -6.562   5.490
  287    HB3  ALA  34          3HB       ALA  34   1.847  -8.288   5.329
  288    H    THR  35           H        THR  35   1.729  -6.147   8.794
  289    HA   THR  35           HA       THR  35  -0.600  -4.709   9.513
  290    HB   THR  35           HB       THR  35   0.997  -3.113  10.543
  291    HG1  THR  35          1HG       THR  35   3.266  -3.976  10.339
  292   HG21  THR  35          1HG2      THR  35   0.357  -5.269  11.643
  293   HG22  THR  35          2HG2      THR  35   1.952  -4.691  12.120
  294   HG23  THR  35          3HG2      THR  35   1.802  -6.008  10.955
  295    H    TYR  36           H        TYR  36  -1.436  -2.819   8.800
  296    HA   TYR  36           HA       TYR  36  -1.099  -2.085   6.118
  297    HB2  TYR  36          2HB       TYR  36  -2.134  -0.326   8.354
  298    HB3  TYR  36          1HB       TYR  36  -2.488  -0.172   6.633
  299    HD1  TYR  36          1HD       TYR  36  -3.250  -2.594   5.571
  300    HD2  TYR  36          2HD       TYR  36  -3.844  -1.272   9.612
  301    HE1  TYR  36          1HE       TYR  36  -5.142  -4.174   5.810
  302    HE2  TYR  36          2HE       TYR  36  -5.736  -2.847   9.848
  303    HH   TYR  36           HH       TYR  36  -6.529  -5.170   7.345
  304    H    GLU  37           H        GLU  37   0.320  -0.793   9.079
  305    HA   GLU  37           HA       GLU  37   1.604   1.448   7.974
  306    HB2  GLU  37          2HB       GLU  37   2.290  -0.251  10.374
  307    HB3  GLU  37          1HB       GLU  37   3.084   1.281   9.991
  308    HG2  GLU  37          2HG       GLU  37   0.939   2.438  10.073
  309    HG3  GLU  37          1HG       GLU  37   0.110   0.917  10.390
  310    H    GLN  38           H        GLN  38   2.819  -1.851   8.576
  311    HA   GLN  38           HA       GLN  38   5.424  -1.407   7.605
  312    HB2  GLN  38          2HB       GLN  38   4.849  -3.401   8.898
  313    HB3  GLN  38          1HB       GLN  38   3.796  -3.968   7.603
  314    HG2  GLN  38          2HG       GLN  38   5.712  -4.130   6.083
  315    HG3  GLN  38          1HG       GLN  38   6.779  -3.478   7.328
  316   HE21  GLN  38          1HE2      GLN  38   7.917  -5.107   8.395
  317   HE22  GLN  38          2HE2      GLN  38   7.330  -6.668   8.692
  318    H    ILE  39           H        ILE  39   2.437  -2.358   5.993
  319    HA   ILE  39           HA       ILE  39   3.518  -2.938   3.462
  320    HB   ILE  39           HB       ILE  39   0.766  -2.006   4.305
  321   HG12  ILE  39          2HG1      ILE  39   1.761  -4.704   3.338
  322   HG13  ILE  39          1HG1      ILE  39   1.636  -4.268   5.038
  323   HG21  ILE  39          1HG2      ILE  39   1.881  -2.686   1.582
  324   HG22  ILE  39          2HG2      ILE  39   0.816  -1.356   2.058
  325   HG23  ILE  39          3HG2      ILE  39   0.185  -2.994   1.968
  326   HD11  ILE  39          1HD1      ILE  39  -0.580  -4.639   3.024
  327   HD12  ILE  39          2HD1      ILE  39  -0.840  -3.689   4.483
  328   HD13  ILE  39          3HD1      ILE  39  -0.391  -5.396   4.605
  329    H    LYS  40           H        LYS  40   2.148   0.202   4.719
  330    HA   LYS  40           HA       LYS  40   2.750   1.467   2.231
  331    HB2  LYS  40          2HB       LYS  40   2.688   3.654   3.343
  332    HB3  LYS  40          1HB       LYS  40   1.217   2.690   3.604
  333    HG2  LYS  40          2HG       LYS  40   1.868   2.136   5.824
  334    HG3  LYS  40          1HG       LYS  40   3.519   2.700   5.568
  335    HD2  LYS  40          2HD       LYS  40   2.575   5.014   5.174
  336    HD3  LYS  40          1HD       LYS  40   1.001   4.385   5.683
  337    HE2  LYS  40          2HE       LYS  40   3.456   4.066   7.405
  338    HE3  LYS  40          1HE       LYS  40   2.470   5.531   7.470
  339    HZ1  LYS  40          1HZ       LYS  40   0.766   3.316   7.572
  340    HZ2  LYS  40          2HZ       LYS  40   1.064   4.468   8.781
  341    HZ3  LYS  40          3HZ       LYS  40   2.007   3.058   8.699
  342    H    GLU  41           H        GLU  41   4.626   0.906   5.160
  343    HA   GLU  41           HA       GLU  41   6.721   2.658   4.674
  344    HB2  GLU  41          2HB       GLU  41   6.489   1.370   6.743
  345    HB3  GLU  41          1HB       GLU  41   6.898  -0.100   5.871
  346    HG2  GLU  41          2HG       GLU  41   9.101   0.831   5.293
  347    HG3  GLU  41          1HG       GLU  41   8.691   2.336   6.107
  348    H    TRP  42           H        TRP  42   6.355  -0.745   3.608
  349    HA   TRP  42           HA       TRP  42   8.798  -0.763   2.139
  350    HB2  TRP  42          2HB       TRP  42   6.259  -2.358   1.766
  351    HB3  TRP  42          1HB       TRP  42   7.746  -2.682   0.887
  352    HD1  TRP  42           HD       TRP  42   9.768  -2.323   3.441
  353    HE1  TRP  42          1HE       TRP  42   9.795  -4.189   5.213
  354    HE3  TRP  42          3HE       TRP  42   5.245  -4.476   2.518
  355    HZ2  TRP  42          2HZ       TRP  42   8.121  -6.305   6.127
  356    HZ3  TRP  42          3HZ       TRP  42   4.480  -6.414   3.852
  357    HH2  TRP  42           HH       TRP  42   5.910  -7.334   5.656
  358    H    ILE  43           H        ILE  43   5.492   0.090   1.261
  359    HA   ILE  43           HA       ILE  43   5.955   0.401  -1.512
  360    HB   ILE  43           HB       ILE  43   3.927   1.656   0.317
  361   HG12  ILE  43          2HG1      ILE  43   3.661  -0.479  -1.798
  362   HG13  ILE  43          1HG1      ILE  43   3.965  -0.850  -0.098
  363   HG21  ILE  43          1HG2      ILE  43   4.284   1.809  -2.665
  364   HG22  ILE  43          2HG2      ILE  43   4.038   3.135  -1.534
  365   HG23  ILE  43          3HG2      ILE  43   2.716   2.030  -1.895
  366   HD11  ILE  43          1HD1      ILE  43   1.880   0.006   0.580
  367   HD12  ILE  43          2HD1      ILE  43   1.503  -0.831  -0.919
  368   HD13  ILE  43          3HD1      ILE  43   1.665   0.926  -0.901
  369    H    GLU  44           H        GLU  44   6.103   2.829   1.099
  370    HA   GLU  44           HA       GLU  44   6.670   4.912  -0.695
  371    HB2  GLU  44          2HB       GLU  44   7.080   6.328   1.224
  372    HB3  GLU  44          1HB       GLU  44   5.644   5.347   1.498
  373    HG2  GLU  44          2HG       GLU  44   6.509   4.502   3.392
  374    HG3  GLU  44          1HG       GLU  44   7.933   3.936   2.535
  375    H    ASN  45           H        ASN  45   8.758   2.637   1.111
  376    HA   ASN  45           HA       ASN  45  11.195   3.967   0.532
  377    HB2  ASN  45          2HB       ASN  45  11.089   2.160   2.169
  378    HB3  ASN  45          1HB       ASN  45  10.624   1.020   0.908
  379   HD21  ASN  45          1HD2      ASN  45  13.338   3.228   1.813
  380   HD22  ASN  45          2HD2      ASN  45  14.532   2.295   1.045
  381    H    ALA  46           H        ALA  46   9.308   1.531  -1.288
  382    HA   ALA  46           HA       ALA  46  11.169   1.218  -3.409
  383    HB1  ALA  46          1HB       ALA  46   9.246  -0.330  -2.978
  384    HB2  ALA  46          2HB       ALA  46   9.346   0.211  -4.653
  385    HB3  ALA  46          3HB       ALA  46   8.156   0.924  -3.562
  386    H    LEU  47           H        LEU  47   8.401   3.389  -2.947
  387    HA   LEU  47           HA       LEU  47   8.381   4.619  -5.453
  388    HB2  LEU  47          2HB       LEU  47   6.798   4.797  -3.326
  389    HB3  LEU  47          1HB       LEU  47   7.801   6.191  -2.964
  390    HG   LEU  47           HG       LEU  47   5.930   7.020  -4.202
  391   HD11  LEU  47          1HD1      LEU  47   8.275   7.765  -4.901
  392   HD12  LEU  47          2HD1      LEU  47   6.969   8.077  -6.044
  393   HD13  LEU  47          3HD1      LEU  47   8.067   6.721  -6.311
  394   HD21  LEU  47          1HD2      LEU  47   5.513   4.611  -5.197
  395   HD22  LEU  47          2HD2      LEU  47   6.471   5.220  -6.545
  396   HD23  LEU  47          3HD2      LEU  47   4.978   6.036  -6.084
  397    H    GLY  48           H        GLY  48  10.184   5.499  -2.476
  398    HA2  GLY  48          2HA       GLY  48  11.370   7.840  -3.477
  399    HA3  GLY  48          1HA       GLY  48  12.020   6.852  -2.173
  400    H    TRP  49           H        TRP  49  12.408   4.456  -3.568
  401    HA   TRP  49           HA       TRP  49  14.793   5.149  -5.130
  402    HB2  TRP  49          2HB       TRP  49  13.772   2.565  -3.940
  403    HB3  TRP  49          1HB       TRP  49  15.193   2.644  -4.982
  404    HD1  TRP  49           HD       TRP  49  14.108   3.126  -1.459
  405    HE1  TRP  49          1HE       TRP  49  16.050   4.072  -0.048
  406    HE3  TRP  49          3HE       TRP  49  17.359   4.411  -5.181
  407    HZ2  TRP  49          2HZ       TRP  49  18.634   5.229  -0.448
  408    HZ3  TRP  49          3HZ       TRP  49  19.548   5.437  -4.638
  409    HH2  TRP  49           HH       TRP  49  20.189   5.849  -2.280
  410    H    ARG  50           H        ARG  50  15.258   3.796  -7.099
  411    HA   ARG  50           HA       ARG  50  13.632   4.253  -9.192
  412    HB2  ARG  50          2HB       ARG  50  15.853   3.172  -9.386
  413    HB3  ARG  50          1HB       ARG  50  15.141   1.656  -8.827
  414    HG2  ARG  50          2HG       ARG  50  13.585   1.666 -10.734
  415    HG3  ARG  50          1HG       ARG  50  14.263   3.193 -11.290
  416    HD2  ARG  50          2HD       ARG  50  15.871   0.649 -10.961
  417    HD3  ARG  50          1HD       ARG  50  15.167   1.180 -12.485
  418    HE   ARG  50           HE       ARG  50  16.687   3.307 -11.488
  419   HH11  ARG  50          1HH1      ARG  50  18.806   3.636 -12.240
  420   HH12  ARG  50          2HH1      ARG  50  19.673   2.328 -12.974
  421   HH21  ARG  50          1HH2      ARG  50  17.079   0.057 -12.612
  422   HH22  ARG  50          2HH2      ARG  50  18.696   0.302 -13.180
  Start of MODEL   13
    1    H    FME   1           H        FME   1 -11.993  -4.741  -0.303
    2    HCN  FME   1           HF       FME   1 -13.134  -5.248   1.678
    3    HA   FME   1           HA       FME   1  -9.721  -4.064   1.402
    4    HB2  FME   1          1HB       FME   1  -9.478  -5.309  -0.795
    5    HB3  FME   1          2HB       FME   1  -8.434  -3.899  -0.607
    6    HG2  FME   1          1HG       FME   1  -9.687  -2.617  -2.110
    7    HG3  FME   1          2HG       FME   1 -11.144  -3.578  -1.871
    8    HE1  FME   1          1HE       FME   1  -7.352  -4.680  -4.062
    9    HE2  FME   1          2HE       FME   1  -7.631  -3.518  -2.769
   10    HE3  FME   1          3HE       FME   1  -8.087  -3.113  -4.424
   11    H    ALA   2           H        ALA   2 -12.435  -2.508   0.615
   12    HA   ALA   2           HA       ALA   2 -11.628   0.024  -0.322
   13    HB1  ALA   2          1HB       ALA   2 -13.933  -0.602   1.535
   14    HB2  ALA   2          2HB       ALA   2 -13.983  -0.792  -0.217
   15    HB3  ALA   2          3HB       ALA   2 -13.768   0.809   0.491
   16    H    GLY   3           H        GLY   3 -11.896  -1.320   2.940
   17    HA2  GLY   3          2HA       GLY   3 -11.375   1.076   4.343
   18    HA3  GLY   3          1HA       GLY   3 -11.107  -0.550   4.966
   19    H    LEU   4           H        LEU   4  -9.260  -1.452   3.064
   20    HA   LEU   4           HA       LEU   4  -6.849  -0.526   4.154
   21    HB2  LEU   4          2HB       LEU   4  -7.077  -2.752   3.259
   22    HB3  LEU   4          1HB       LEU   4  -7.481  -2.130   1.668
   23    HG   LEU   4           HG       LEU   4  -5.107  -2.981   1.959
   24   HD11  LEU   4          1HD1      LEU   4  -4.373  -1.567   0.333
   25   HD12  LEU   4          2HD1      LEU   4  -4.743  -0.117   1.255
   26   HD13  LEU   4          3HD1      LEU   4  -6.027  -0.945   0.384
   27   HD21  LEU   4          1HD2      LEU   4  -5.004  -1.854   4.304
   28   HD22  LEU   4          2HD2      LEU   4  -4.576  -0.396   3.406
   29   HD23  LEU   4          3HD2      LEU   4  -3.559  -1.828   3.299
   30    H    LEU   5           H        LEU   5  -8.491   0.178   1.108
   31    HA   LEU   5           HA       LEU   5  -6.460   1.790  -0.020
   32    HB2  LEU   5          2HB       LEU   5  -9.452   1.690  -0.455
   33    HB3  LEU   5          1HB       LEU   5  -8.382   2.706  -1.415
   34    HG   LEU   5           HG       LEU   5  -8.026  -0.292  -1.094
   35   HD11  LEU   5          1HD1      LEU   5  -9.335   1.311  -3.309
   36   HD12  LEU   5          2HD1      LEU   5 -10.139   0.176  -2.226
   37   HD13  LEU   5          3HD1      LEU   5  -8.965  -0.413  -3.399
   38   HD21  LEU   5          1HD2      LEU   5  -6.624   1.893  -2.608
   39   HD22  LEU   5          2HD2      LEU   5  -6.762   0.314  -3.383
   40   HD23  LEU   5          3HD2      LEU   5  -5.951   0.465  -1.824
   41    H    ARG   6           H        ARG   6  -9.281   2.568   1.956
   42    HA   ARG   6           HA       ARG   6  -8.995   5.351   1.878
   43    HB2  ARG   6          2HB       ARG   6 -10.989   4.154   2.717
   44    HB3  ARG   6          1HB       ARG   6 -10.075   3.655   4.136
   45    HG2  ARG   6          2HG       ARG   6 -10.046   6.586   3.533
   46    HG3  ARG   6          1HG       ARG   6 -11.589   5.919   4.050
   47    HD2  ARG   6          2HD       ARG   6 -10.475   4.940   6.059
   48    HD3  ARG   6          1HD       ARG   6  -8.963   5.666   5.563
   49    HE   ARG   6           HE       ARG   6 -11.036   7.626   5.782
   50   HH11  ARG   6          1HH1      ARG   6 -10.928   9.044   7.560
   51   HH12  ARG   6          2HH1      ARG   6  -9.890   8.677   8.898
   52   HH21  ARG   6          1HH2      ARG   6  -8.763   5.686   7.547
   53   HH22  ARG   6          2HH2      ARG   6  -8.668   6.776   8.891
   54    H    PHE   7           H        PHE   7  -7.666   2.949   4.103
   55    HA   PHE   7           HA       PHE   7  -6.429   4.714   5.896
   56    HB2  PHE   7          2HB       PHE   7  -6.730   2.298   6.325
   57    HB3  PHE   7          1HB       PHE   7  -5.582   1.925   5.044
   58    HD1  PHE   7          1HD       PHE   7  -3.230   2.013   5.422
   59    HD2  PHE   7          2HD       PHE   7  -5.958   3.562   8.361
   60    HE1  PHE   7          1HE       PHE   7  -1.364   2.231   7.036
   61    HE2  PHE   7          2HE       PHE   7  -4.093   3.788   9.976
   62    HZ   PHE   7           HZ       PHE   7  -1.792   3.125   9.314
   63    H    LEU   8           H        LEU   8  -5.197   3.159   2.937
   64    HA   LEU   8           HA       LEU   8  -2.583   4.205   3.105
   65    HB2  LEU   8          2HB       LEU   8  -4.252   3.133   0.848
   66    HB3  LEU   8          1HB       LEU   8  -2.676   3.849   0.520
   67    HG   LEU   8           HG       LEU   8  -3.173   1.571   2.475
   68   HD11  LEU   8          1HD1      LEU   8  -2.461   0.074   0.824
   69   HD12  LEU   8          2HD1      LEU   8  -1.679   1.338  -0.124
   70   HD13  LEU   8          3HD1      LEU   8  -3.439   1.211  -0.112
   71   HD21  LEU   8          1HD2      LEU   8  -0.463   1.576   1.798
   72   HD22  LEU   8          2HD2      LEU   8  -1.154   2.217   3.292
   73   HD23  LEU   8          3HD2      LEU   8  -0.846   3.293   1.938
   74    H    LEU   9           H        LEU   9  -5.509   5.473   1.540
   75    HA   LEU   9           HA       LEU   9  -4.306   7.701   0.290
   76    HB2  LEU   9          2HB       LEU   9  -6.692   6.643   0.056
   77    HB3  LEU   9          1HB       LEU   9  -7.113   7.772   1.343
   78    HG   LEU   9           HG       LEU   9  -5.780   8.570  -1.261
   79   HD11  LEU   9          1HD1      LEU   9  -8.127   7.676  -1.513
   80   HD12  LEU   9          2HD1      LEU   9  -7.961   9.373  -1.966
   81   HD13  LEU   9          3HD1      LEU   9  -8.669   8.944  -0.410
   82   HD21  LEU   9          1HD2      LEU   9  -6.634  10.017   1.221
   83   HD22  LEU   9          2HD2      LEU   9  -6.904  10.835  -0.317
   84   HD23  LEU   9          3HD2      LEU   9  -5.275  10.342   0.143
   85    H    SER  10           H        SER  10  -5.828   7.319   3.498
   86    HA   SER  10           HA       SER  10  -5.656  10.011   4.297
   87    HB2  SER  10          2HB       SER  10  -6.996   8.311   5.515
   88    HB3  SER  10          1HB       SER  10  -5.506   7.538   6.048
   89    HG   SER  10           HG       SER  10  -5.280  10.106   6.582
   90    H    LYS  11           H        LYS  11  -3.347   7.310   4.586
   91    HA   LYS  11           HA       LYS  11  -1.461   8.851   6.105
   92    HB2  LYS  11          2HB       LYS  11  -1.100   6.325   4.478
   93    HB3  LYS  11          1HB       LYS  11   0.139   7.011   5.529
   94    HG2  LYS  11          2HG       LYS  11  -2.626   6.212   6.462
   95    HG3  LYS  11          1HG       LYS  11  -1.196   5.188   6.605
   96    HD2  LYS  11          2HD       LYS  11  -0.144   7.288   7.794
   97    HD3  LYS  11          1HD       LYS  11  -1.831   7.762   8.040
   98    HE2  LYS  11          2HE       LYS  11  -2.312   5.604   9.086
   99    HE3  LYS  11          1HE       LYS  11  -0.634   5.113   8.861
  100    HZ1  LYS  11          1HZ       LYS  11  -1.307   7.588  10.322
  101    HZ2  LYS  11          2HZ       LYS  11   0.110   6.654  10.402
  102    HZ3  LYS  11          3HZ       LYS  11  -1.328   6.085  11.105
  103    H    GLY  12           H        GLY  12  -1.738   8.113   2.664
  104    HA2  GLY  12          2HA       GLY  12  -0.364  10.509   1.929
  105    HA3  GLY  12          1HA       GLY  12   0.648   9.083   1.705
  106    H    ARG  13           H        ARG  13  -0.086  10.656  -0.450
  107    HA   ARG  13           HA       ARG  13  -2.345   9.355  -1.771
  108    HB2  ARG  13          2HB       ARG  13  -2.047  11.792  -1.950
  109    HB3  ARG  13          1HB       ARG  13  -0.502  11.534  -2.755
  110    HG2  ARG  13          2HG       ARG  13  -1.633  10.328  -4.582
  111    HG3  ARG  13          1HG       ARG  13  -3.186  10.532  -3.776
  112    HD2  ARG  13          2HD       ARG  13  -2.977  12.248  -5.480
  113    HD3  ARG  13          1HD       ARG  13  -2.850  13.019  -3.903
  114    HE   ARG  13           HE       ARG  13  -0.264  12.320  -4.803
  115   HH11  ARG  13          1HH1      ARG  13   1.058  13.920  -5.690
  116   HH12  ARG  13          2HH1      ARG  13   0.363  15.402  -6.253
  117   HH21  ARG  13          1HH2      ARG  13  -2.891  14.469  -5.478
  118   HH22  ARG  13          2HH2      ARG  13  -1.883  15.715  -6.134
  119    H    ALA  14           H        ALA  14   1.155   9.452  -1.924
  120    HA   ALA  14           HA       ALA  14   1.530   8.229  -4.431
  121    HB1  ALA  14          1HB       ALA  14   3.477   9.129  -3.515
  122    HB2  ALA  14          2HB       ALA  14   3.715   7.404  -3.229
  123    HB3  ALA  14          3HB       ALA  14   3.157   8.453  -1.919
  124    H    LEU  15           H        LEU  15   1.186   6.842  -1.162
  125    HA   LEU  15           HA       LEU  15   1.588   4.154  -1.870
  126    HB2  LEU  15          2HB       LEU  15  -0.263   5.142   0.297
  127    HB3  LEU  15          1HB       LEU  15   0.617   3.625   0.240
  128    HG   LEU  15           HG       LEU  15   2.067   6.282   0.251
  129   HD11  LEU  15          1HD1      LEU  15   0.742   6.387   2.218
  130   HD12  LEU  15          2HD1      LEU  15   2.324   5.812   2.743
  131   HD13  LEU  15          3HD1      LEU  15   0.987   4.678   2.563
  132   HD21  LEU  15          1HD2      LEU  15   3.777   4.765   1.412
  133   HD22  LEU  15          2HD2      LEU  15   3.530   4.474  -0.301
  134   HD23  LEU  15          3HD2      LEU  15   2.787   3.410   0.893
  135    H    TYR  16           H        TYR  16  -1.339   6.138  -1.747
  136    HA   TYR  16           HA       TYR  16  -3.223   4.132  -2.313
  137    HB2  TYR  16          2HB       TYR  16  -3.915   6.301  -1.478
  138    HB3  TYR  16          1HB       TYR  16  -3.234   7.107  -2.889
  139    HD1  TYR  16          1HD       TYR  16  -4.672   7.683  -4.615
  140    HD2  TYR  16          2HD       TYR  16  -5.671   4.358  -2.077
  141    HE1  TYR  16          1HE       TYR  16  -6.824   7.420  -5.806
  142    HE2  TYR  16          2HE       TYR  16  -7.826   4.101  -3.267
  143    HH   TYR  16           HH       TYR  16  -8.523   4.939  -5.966
  144    H    ASN  17           H        ASN  17  -1.417   6.318  -4.469
  145    HA   ASN  17           HA       ASN  17  -2.577   5.441  -6.878
  146    HB2  ASN  17          2HB       ASN  17  -1.193   7.479  -6.682
  147    HB3  ASN  17          1HB       ASN  17   0.230   6.474  -6.413
  148   HD21  ASN  17          1HD2      ASN  17   1.251   7.183  -8.398
  149   HD22  ASN  17          2HD2      ASN  17   0.667   6.693  -9.915
  150    H    TRP  18           H        TRP  18   0.272   4.346  -5.087
  151    HA   TRP  18           HA       TRP  18   1.198   2.438  -6.905
  152    HB2  TRP  18          2HB       TRP  18   2.632   3.005  -5.105
  153    HB3  TRP  18          1HB       TRP  18   1.384   2.682  -3.900
  154    HD1  TRP  18           HD       TRP  18   1.058   0.283  -3.069
  155    HE1  TRP  18          1HE       TRP  18   2.370  -1.910  -3.422
  156    HE3  TRP  18          3HE       TRP  18   4.039   1.629  -7.005
  157    HZ2  TRP  18          2HZ       TRP  18   4.391  -2.952  -5.124
  158    HZ3  TRP  18          3HZ       TRP  18   5.632   0.005  -7.977
  159    HH2  TRP  18           HH       TRP  18   5.814  -2.287  -7.046
  160    H    ALA  19           H        ALA  19  -1.101   2.078  -4.201
  161    HA   ALA  19           HA       ALA  19  -1.529  -0.685  -4.489
  162    HB1  ALA  19          1HB       ALA  19  -3.801  -0.067  -3.389
  163    HB2  ALA  19          2HB       ALA  19  -3.134   1.564  -3.306
  164    HB3  ALA  19          3HB       ALA  19  -2.317   0.238  -2.486
  165    H    LYS  20           H        LYS  20  -3.184   2.110  -5.910
  166    HA   LYS  20           HA       LYS  20  -5.218   0.657  -7.210
  167    HB2  LYS  20          2HB       LYS  20  -5.255   3.118  -6.879
  168    HB3  LYS  20          1HB       LYS  20  -3.970   3.278  -8.075
  169    HG2  LYS  20          2HG       LYS  20  -5.416   2.257  -9.786
  170    HG3  LYS  20          1HG       LYS  20  -6.693   2.037  -8.593
  171    HD2  LYS  20          2HD       LYS  20  -6.802   4.490  -8.266
  172    HD3  LYS  20          1HD       LYS  20  -5.544   4.701  -9.484
  173    HE2  LYS  20          2HE       LYS  20  -7.004   3.615 -11.170
  174    HE3  LYS  20          1HE       LYS  20  -8.265   3.438  -9.951
  175    HZ1  LYS  20          1HZ       LYS  20  -8.068   5.537 -11.582
  176    HZ2  LYS  20          2HZ       LYS  20  -7.190   6.114 -10.247
  177    HZ3  LYS  20          3HZ       LYS  20  -8.798   5.600 -10.054
  178    H    SER  21           H        SER  21  -2.009   1.701  -8.310
  179    HA   SER  21           HA       SER  21  -2.244   0.785 -10.952
  180    HB2  SER  21          2HB       SER  21  -0.486   2.350 -10.239
  181    HB3  SER  21          1HB       SER  21   0.244   1.094  -9.247
  182    HG   SER  21           HG       SER  21  -0.149   0.163 -11.716
  183    H    HIS  22           H        HIS  22  -1.030  -0.843  -8.030
  184    HA   HIS  22           HA       HIS  22  -1.081  -3.398  -9.542
  185    HB2  HIS  22          2HB       HIS  22   0.856  -2.481  -7.403
  186    HB3  HIS  22          1HB       HIS  22   0.761  -4.131  -8.020
  187    HD1  HIS  22          1HD       HIS  22   1.043  -4.320 -10.731
  188    HD2  HIS  22          2HD       HIS  22   2.477  -0.837  -8.948
  189    HE1  HIS  22          1HE       HIS  22   2.628  -3.265 -12.399
  190    HE2  HIS  22          2HE       HIS  22   3.529  -1.151 -11.315
  191    H    VAL  23           H        VAL  23  -3.238  -3.750  -8.850
  192    HA   VAL  23           HA       VAL  23  -4.001  -3.732  -6.122
  193    HB   VAL  23           HB       VAL  23  -5.947  -5.059  -6.870
  194   HG11  VAL  23          1HG1      VAL  23  -6.604  -3.444  -8.811
  195   HG12  VAL  23          2HG1      VAL  23  -5.071  -2.652  -8.450
  196   HG13  VAL  23          3HG1      VAL  23  -6.317  -2.774  -7.206
  197   HG21  VAL  23          1HG2      VAL  23  -4.906  -6.537  -8.455
  198   HG22  VAL  23          2HG2      VAL  23  -4.365  -5.181  -9.445
  199   HG23  VAL  23          3HG2      VAL  23  -6.082  -5.563  -9.338
  200    H    GLY  24           H        GLY  24  -2.335  -5.970  -8.136
  201    HA2  GLY  24          2HA       GLY  24  -2.734  -8.386  -6.745
  202    HA3  GLY  24          1HA       GLY  24  -1.326  -7.999  -7.730
  203    H    LYS  25           H        LYS  25  -0.388  -5.751  -6.250
  204    HA   LYS  25           HA       LYS  25   1.143  -7.046  -4.255
  205    HB2  LYS  25          2HB       LYS  25   0.600  -4.110  -4.739
  206    HB3  LYS  25          1HB       LYS  25   1.838  -4.727  -3.644
  207    HG2  LYS  25          2HG       LYS  25   1.777  -5.606  -6.533
  208    HG3  LYS  25          1HG       LYS  25   2.522  -4.077  -6.078
  209    HD2  LYS  25          2HD       LYS  25   4.007  -5.248  -4.511
  210    HD3  LYS  25          1HD       LYS  25   3.284  -6.792  -4.959
  211    HE2  LYS  25          2HE       LYS  25   5.355  -6.447  -6.226
  212    HE3  LYS  25          1HE       LYS  25   3.970  -6.412  -7.315
  213    HZ1  LYS  25          1HZ       LYS  25   5.432  -4.590  -7.815
  214    HZ2  LYS  25          2HZ       LYS  25   5.403  -4.058  -6.201
  215    HZ3  LYS  25          3HZ       LYS  25   3.997  -3.973  -7.152
  216    H    VAL  26           H        VAL  26  -1.752  -5.043  -4.112
  217    HA   VAL  26           HA       VAL  26  -1.939  -4.732  -1.328
  218    HB   VAL  26           HB       VAL  26  -4.088  -4.811  -3.449
  219   HG11  VAL  26          1HG1      VAL  26  -5.399  -3.577  -1.615
  220   HG12  VAL  26          2HG1      VAL  26  -4.176  -4.173  -0.495
  221   HG13  VAL  26          3HG1      VAL  26  -5.176  -5.314  -1.389
  222   HG21  VAL  26          1HG2      VAL  26  -3.924  -2.426  -3.437
  223   HG22  VAL  26          2HG2      VAL  26  -2.253  -2.989  -3.446
  224   HG23  VAL  26          3HG2      VAL  26  -2.985  -2.421  -1.945
  225    H    TRP  27           H        TRP  27  -3.245  -7.108  -3.550
  226    HA   TRP  27           HA       TRP  27  -4.651  -8.644  -1.636
  227    HB2  TRP  27          2HB       TRP  27  -3.550  -9.311  -4.353
  228    HB3  TRP  27          1HB       TRP  27  -4.368 -10.521  -3.359
  229    HD1  TRP  27           HD       TRP  27  -5.305  -6.790  -3.743
  230    HE1  TRP  27          1HE       TRP  27  -7.709  -6.648  -4.643
  231    HE3  TRP  27          3HE       TRP  27  -6.304 -11.758  -4.430
  232    HZ2  TRP  27          2HZ       TRP  27  -9.778  -8.382  -5.534
  233    HZ3  TRP  27          3HZ       TRP  27  -8.509 -12.475  -5.319
  234    HH2  TRP  27           HH       TRP  27 -10.244 -10.793  -5.869
  235    H    GLU  28           H        GLU  28  -1.349  -8.941  -2.899
  236    HA   GLU  28           HA       GLU  28  -0.624 -11.308  -1.614
  237    HB2  GLU  28          2HB       GLU  28   0.712 -10.191  -3.391
  238    HB3  GLU  28          1HB       GLU  28   1.167  -8.940  -2.234
  239    HG2  GLU  28          2HG       GLU  28   2.227 -10.628  -0.796
  240    HG3  GLU  28          1HG       GLU  28   1.713 -11.903  -1.901
  241    H    TRP  29           H        TRP  29  -0.334  -7.900  -0.439
  242    HA   TRP  29           HA       TRP  29   0.941  -8.695   1.985
  243    HB2  TRP  29          2HB       TRP  29  -0.755  -6.230   1.802
  244    HB3  TRP  29          1HB       TRP  29   0.677  -6.524   2.760
  245    HD1  TRP  29           HD       TRP  29  -0.233  -4.488   0.110
  246    HE1  TRP  29          1HE       TRP  29   1.659  -3.987  -1.556
  247    HE3  TRP  29          3HE       TRP  29   3.084  -8.145   1.435
  248    HZ2  TRP  29          2HZ       TRP  29   4.245  -4.984  -2.221
  249    HZ3  TRP  29          3HZ       TRP  29   5.264  -8.313   0.278
  250    HH2  TRP  29           HH       TRP  29   5.850  -6.745  -1.541
  251    H    LEU  30           H        LEU  30  -2.465  -8.211   1.106
  252    HA   LEU  30           HA       LEU  30  -3.431  -8.466   3.760
  253    HB2  LEU  30          2HB       LEU  30  -4.663  -8.723   1.043
  254    HB3  LEU  30          1HB       LEU  30  -5.556  -9.363   2.422
  255    HG   LEU  30           HG       LEU  30  -5.224  -7.089   3.553
  256   HD11  LEU  30          1HD1      LEU  30  -4.712  -6.045   0.783
  257   HD12  LEU  30          2HD1      LEU  30  -3.363  -6.478   1.834
  258   HD13  LEU  30          3HD1      LEU  30  -4.503  -5.231   2.328
  259   HD21  LEU  30          1HD2      LEU  30  -7.373  -7.681   2.561
  260   HD22  LEU  30          2HD2      LEU  30  -6.790  -7.227   0.959
  261   HD23  LEU  30          3HD2      LEU  30  -7.009  -5.990   2.198
  262    H    LYS  31           H        LYS  31  -2.830 -10.889   1.223
  263    HA   LYS  31           HA       LYS  31  -3.845 -13.101   2.622
  264    HB2  LYS  31          2HB       LYS  31  -3.288 -13.139   0.228
  265    HB3  LYS  31          1HB       LYS  31  -1.580 -12.962   0.623
  266    HG2  LYS  31          2HG       LYS  31  -1.976 -15.293   0.208
  267    HG3  LYS  31          1HG       LYS  31  -1.751 -15.117   1.940
  268    HD2  LYS  31          2HD       LYS  31  -4.070 -15.350   2.384
  269    HD3  LYS  31          1HD       LYS  31  -4.504 -15.080   0.693
  270    HE2  LYS  31          2HE       LYS  31  -4.687 -17.453   1.134
  271    HE3  LYS  31          1HE       LYS  31  -3.259 -17.208   0.130
  272    HZ1  LYS  31          1HZ       LYS  31  -1.906 -17.873   1.762
  273    HZ2  LYS  31          2HZ       LYS  31  -3.292 -18.536   2.487
  274    HZ3  LYS  31          3HZ       LYS  31  -2.739 -16.999   2.954
  275    H    SER  32           H        SER  32  -0.617 -11.633   2.545
  276    HA   SER  32           HA       SER  32   0.737 -13.497   4.151
  277    HB2  SER  32          2HB       SER  32   2.046 -11.890   2.982
  278    HB3  SER  32          1HB       SER  32   1.132 -10.545   3.657
  279    HG   SER  32           HG       SER  32   2.822 -10.588   4.967
  280    H    GLY  33           H        GLY  33  -1.055 -10.530   5.024
  281    HA2  GLY  33          2HA       GLY  33  -2.348 -10.346   7.040
  282    HA3  GLY  33          1HA       GLY  33  -1.301 -11.550   7.783
  283    H    ALA  34           H        ALA  34   0.350  -9.198   5.943
  284    HA   ALA  34           HA       ALA  34   1.846  -8.245   8.136
  285    HB1  ALA  34          1HB       ALA  34   1.519  -7.414   5.267
  286    HB2  ALA  34          2HB       ALA  34   2.950  -8.044   6.082
  287    HB3  ALA  34          3HB       ALA  34   2.428  -6.386   6.373
  288    H    THR  35           H        THR  35   2.038  -5.619   8.203
  289    HA   THR  35           HA       THR  35  -0.650  -4.719   9.056
  290    HB   THR  35           HB       THR  35   0.506  -3.082  10.428
  291    HG1  THR  35          1HG       THR  35   2.759  -3.039  10.457
  292   HG21  THR  35          1HG2      THR  35   0.244  -5.526  11.146
  293   HG22  THR  35          2HG2      THR  35   1.412  -4.554  12.038
  294   HG23  THR  35          3HG2      THR  35   1.967  -5.688  10.806
  295    H    TYR  36           H        TYR  36  -1.344  -2.612   8.515
  296    HA   TYR  36           HA       TYR  36  -0.953  -1.842   5.848
  297    HB2  TYR  36          2HB       TYR  36  -1.935  -0.032   8.050
  298    HB3  TYR  36          1HB       TYR  36  -2.339   0.039   6.338
  299    HD1  TYR  36          1HD       TYR  36  -3.099  -2.550   5.494
  300    HD2  TYR  36          2HD       TYR  36  -3.695  -0.753   9.350
  301    HE1  TYR  36          1HE       TYR  36  -5.004  -4.077   5.910
  302    HE2  TYR  36          2HE       TYR  36  -5.599  -2.294   9.768
  303    HH   TYR  36           HH       TYR  36  -7.128  -4.007   7.395
  304    H    GLU  37           H        GLU  37   0.419  -0.560   8.849
  305    HA   GLU  37           HA       GLU  37   1.840   1.598   7.727
  306    HB2  GLU  37          2HB       GLU  37   1.433   1.322  10.141
  307    HB3  GLU  37          1HB       GLU  37   2.544  -0.046  10.172
  308    HG2  GLU  37          2HG       GLU  37   4.363   1.443   9.369
  309    HG3  GLU  37          1HG       GLU  37   3.229   2.790   9.360
  310    H    GLN  38           H        GLN  38   2.934  -1.697   8.510
  311    HA   GLN  38           HA       GLN  38   5.544  -1.328   7.613
  312    HB2  GLN  38          2HB       GLN  38   4.744  -3.235   8.954
  313    HB3  GLN  38          1HB       GLN  38   3.895  -3.854   7.536
  314    HG2  GLN  38          2HG       GLN  38   6.053  -3.952   6.312
  315    HG3  GLN  38          1HG       GLN  38   6.885  -3.394   7.762
  316   HE21  GLN  38          1HE2      GLN  38   8.027  -5.216   8.439
  317   HE22  GLN  38          2HE2      GLN  38   7.338  -6.743   8.703
  318    H    ILE  39           H        ILE  39   2.643  -2.342   5.842
  319    HA   ILE  39           HA       ILE  39   3.947  -3.003   3.455
  320    HB   ILE  39           HB       ILE  39   1.126  -2.087   3.997
  321   HG12  ILE  39          2HG1      ILE  39   2.111  -4.857   3.318
  322   HG13  ILE  39          1HG1      ILE  39   2.136  -4.289   4.982
  323   HG21  ILE  39          1HG2      ILE  39   1.629  -1.740   1.630
  324   HG22  ILE  39          2HG2      ILE  39   0.652  -3.192   1.791
  325   HG23  ILE  39          3HG2      ILE  39   2.393  -3.326   1.529
  326   HD11  ILE  39          1HD1      ILE  39  -0.306  -3.699   4.731
  327   HD12  ILE  39          2HD1      ILE  39   0.008  -5.413   4.630
  328   HD13  ILE  39          3HD1      ILE  39  -0.282  -4.473   3.163
  329    H    LYS  40           H        LYS  40   2.489   0.142   4.536
  330    HA   LYS  40           HA       LYS  40   3.134   1.371   2.028
  331    HB2  LYS  40          2HB       LYS  40   2.992   3.575   3.171
  332    HB3  LYS  40          1HB       LYS  40   1.522   2.579   3.268
  333    HG2  LYS  40          2HG       LYS  40   1.900   2.037   5.508
  334    HG3  LYS  40          1HG       LYS  40   3.601   2.537   5.443
  335    HD2  LYS  40          2HD       LYS  40   1.459   4.572   4.835
  336    HD3  LYS  40          1HD       LYS  40   1.764   4.145   6.520
  337    HE2  LYS  40          2HE       LYS  40   4.222   4.633   6.103
  338    HE3  LYS  40          1HE       LYS  40   3.755   5.262   4.524
  339    HZ1  LYS  40          1HZ       LYS  40   2.050   6.440   6.339
  340    HZ2  LYS  40          2HZ       LYS  40   3.346   7.177   5.524
  341    HZ3  LYS  40          3HZ       LYS  40   3.581   6.503   7.066
  342    H    GLU  41           H        GLU  41   4.852   0.920   5.068
  343    HA   GLU  41           HA       GLU  41   6.953   2.668   4.689
  344    HB2  GLU  41          2HB       GLU  41   6.616   1.367   6.758
  345    HB3  GLU  41          1HB       GLU  41   7.084  -0.099   5.896
  346    HG2  GLU  41          2HG       GLU  41   9.287   0.856   5.427
  347    HG3  GLU  41          1HG       GLU  41   8.824   2.356   6.227
  348    H    TRP  42           H        TRP  42   6.646  -0.747   3.638
  349    HA   TRP  42           HA       TRP  42   9.127  -0.899   2.309
  350    HB2  TRP  42          2HB       TRP  42   6.522  -2.293   1.647
  351    HB3  TRP  42          1HB       TRP  42   8.078  -2.709   0.950
  352    HD1  TRP  42           HD       TRP  42   9.758  -2.536   3.751
  353    HE1  TRP  42          1HE       TRP  42   9.437  -4.455   5.444
  354    HE3  TRP  42          3HE       TRP  42   5.271  -4.406   2.157
  355    HZ2  TRP  42          2HZ       TRP  42   7.542  -6.492   6.048
  356    HZ3  TRP  42          3HZ       TRP  42   4.232  -6.338   3.307
  357    HH2  TRP  42           HH       TRP  42   5.367  -7.387   5.249
  358    H    ILE  43           H        ILE  43   5.923   0.045   1.198
  359    HA   ILE  43           HA       ILE  43   6.570   0.389  -1.526
  360    HB   ILE  43           HB       ILE  43   4.449   1.667   0.186
  361   HG12  ILE  43          2HG1      ILE  43   4.296  -0.524  -1.887
  362   HG13  ILE  43          1HG1      ILE  43   4.464  -0.827  -0.158
  363   HG21  ILE  43          1HG2      ILE  43   4.853   1.733  -2.815
  364   HG22  ILE  43          2HG2      ILE  43   4.744   3.118  -1.729
  365   HG23  ILE  43          3HG2      ILE  43   3.323   2.118  -2.028
  366   HD11  ILE  43          1HD1      ILE  43   2.337   0.010   0.334
  367   HD12  ILE  43          2HD1      ILE  43   2.063  -0.776  -1.223
  368   HD13  ILE  43          3HD1      ILE  43   2.265   0.973  -1.138
  369    H    GLU  44           H        GLU  44   6.537   2.830   1.078
  370    HA   GLU  44           HA       GLU  44   7.256   4.897  -0.686
  371    HB2  GLU  44          2HB       GLU  44   7.378   6.311   1.236
  372    HB3  GLU  44          1HB       GLU  44   6.009   5.217   1.428
  373    HG2  GLU  44          2HG       GLU  44   6.815   4.518   3.407
  374    HG3  GLU  44          1HG       GLU  44   8.263   3.923   2.613
  375    H    ASN  45           H        ASN  45   9.200   2.637   1.290
  376    HA   ASN  45           HA       ASN  45  11.674   3.984   0.963
  377    HB2  ASN  45          2HB       ASN  45  10.916   1.102   1.473
  378    HB3  ASN  45          1HB       ASN  45  12.602   1.592   1.282
  379   HD21  ASN  45          1HD2      ASN  45  11.626   0.572   3.794
  380   HD22  ASN  45          2HD2      ASN  45  11.673   1.836   4.928
  381    H    ALA  46           H        ALA  46   9.980   1.523  -0.991
  382    HA   ALA  46           HA       ALA  46  12.028   1.152  -2.913
  383    HB1  ALA  46          1HB       ALA  46   9.040   0.708  -2.967
  384    HB2  ALA  46          2HB       ALA  46  10.320  -0.501  -2.845
  385    HB3  ALA  46          3HB       ALA  46  10.057   0.361  -4.361
  386    H    LEU  47           H        LEU  47   9.245   3.339  -2.754
  387    HA   LEU  47           HA       LEU  47   9.435   4.489  -5.299
  388    HB2  LEU  47          2HB       LEU  47   7.666   4.723  -3.392
  389    HB3  LEU  47          1HB       LEU  47   8.662   6.080  -2.874
  390    HG   LEU  47           HG       LEU  47   7.555   5.759  -5.680
  391   HD11  LEU  47          1HD1      LEU  47   5.663   6.088  -4.281
  392   HD12  LEU  47          2HD1      LEU  47   6.050   7.685  -4.919
  393   HD13  LEU  47          3HD1      LEU  47   6.514   7.260  -3.271
  394   HD21  LEU  47          1HD2      LEU  47   8.062   8.370  -5.483
  395   HD22  LEU  47          2HD2      LEU  47   9.323   7.229  -5.941
  396   HD23  LEU  47          3HD2      LEU  47   9.231   7.816  -4.278
  397    H    GLY  48           H        GLY  48  10.948   5.458  -2.198
  398    HA2  GLY  48          2HA       GLY  48  12.247   7.770  -3.172
  399    HA3  GLY  48          1HA       GLY  48  12.720   6.849  -1.747
  400    H    TRP  49           H        TRP  49  13.268   4.378  -2.959
  401    HA   TRP  49           HA       TRP  49  15.914   4.752  -3.878
  402    HB2  TRP  49          2HB       TRP  49  15.354   2.713  -2.737
  403    HB3  TRP  49          1HB       TRP  49  14.067   2.355  -3.887
  404    HD1  TRP  49           HD       TRP  49  14.699   0.882  -5.885
  405    HE1  TRP  49          1HE       TRP  49  16.905   0.057  -6.935
  406    HE3  TRP  49          3HE       TRP  49  18.045   3.516  -3.083
  407    HZ2  TRP  49          2HZ       TRP  49  19.721   0.467  -6.630
  408    HZ3  TRP  49          3HZ       TRP  49  20.480   3.289  -3.482
  409    HH2  TRP  49           HH       TRP  49  21.324   1.767  -5.249
  410    H    ARG  50           H        ARG  50  12.863   4.023  -5.522
  411    HA   ARG  50           HA       ARG  50  14.136   3.922  -8.137
  412    HB2  ARG  50          2HB       ARG  50  12.201   2.463  -7.573
  413    HB3  ARG  50          1HB       ARG  50  11.204   3.905  -7.401
  414    HG2  ARG  50          2HG       ARG  50  11.668   4.519  -9.748
  415    HG3  ARG  50          1HG       ARG  50  12.661   3.073  -9.933
  416    HD2  ARG  50          2HD       ARG  50  10.655   1.702  -9.303
  417    HD3  ARG  50          1HD       ARG  50   9.697   3.179  -9.331
  418    HE   ARG  50           HE       ARG  50  11.175   2.747 -11.770
  419   HH11  ARG  50          1HH1      ARG  50   9.943   2.276 -13.603
  420   HH12  ARG  50          2HH1      ARG  50   8.286   1.804 -13.433
  421   HH21  ARG  50          1HH2      ARG  50   8.316   2.009  -9.966
  422   HH22  ARG  50          2HH2      ARG  50   7.361   1.650 -11.365
  Start of MODEL   14
    1    H    FME   1           H        FME   1 -11.084  -4.678   2.535
    2    HCN  FME   1           HF       FME   1 -13.404  -4.767   2.269
    3    HA   FME   1           HA       FME   1  -9.535  -4.031   0.968
    4    HB2  FME   1          1HB       FME   1 -11.668  -3.788  -1.136
    5    HB3  FME   1          2HB       FME   1 -11.147  -5.380  -0.587
    6    HG2  FME   1          1HG       FME   1  -8.848  -4.887  -1.196
    7    HG3  FME   1          2HG       FME   1  -9.268  -3.218  -1.583
    8    HE1  FME   1          1HE       FME   1  -7.706  -4.288  -3.384
    9    HE2  FME   1          2HE       FME   1  -8.636  -3.157  -4.363
   10    HE3  FME   1          3HE       FME   1  -8.356  -4.795  -4.949
   11    H    ALA   2           H        ALA   2 -12.656  -2.355   0.851
   12    HA   ALA   2           HA       ALA   2 -11.718   0.103  -0.172
   13    HB1  ALA   2          1HB       ALA   2 -13.810   1.046   0.609
   14    HB2  ALA   2          2HB       ALA   2 -14.070  -0.328   1.686
   15    HB3  ALA   2          3HB       ALA   2 -14.113  -0.553  -0.064
   16    H    GLY   3           H        GLY   3 -12.020  -1.064   3.183
   17    HA2  GLY   3          2HA       GLY   3 -11.347   1.384   4.439
   18    HA3  GLY   3          1HA       GLY   3 -11.158  -0.217   5.151
   19    H    LEU   4           H        LEU   4  -9.410  -1.310   3.233
   20    HA   LEU   4           HA       LEU   4  -6.892  -0.542   4.213
   21    HB2  LEU   4          2HB       LEU   4  -7.453  -2.763   3.253
   22    HB3  LEU   4          1HB       LEU   4  -7.647  -2.031   1.672
   23    HG   LEU   4           HG       LEU   4  -5.423  -3.292   2.344
   24   HD11  LEU   4          1HD1      LEU   4  -5.761  -0.826   0.679
   25   HD12  LEU   4          2HD1      LEU   4  -5.478  -2.485   0.184
   26   HD13  LEU   4          3HD1      LEU   4  -4.164  -1.535   0.869
   27   HD21  LEU   4          1HD2      LEU   4  -4.699  -0.494   3.235
   28   HD22  LEU   4          2HD2      LEU   4  -3.675  -1.916   3.226
   29   HD23  LEU   4          3HD2      LEU   4  -5.021  -1.814   4.356
   30    H    LEU   5           H        LEU   5  -8.532   0.185   1.147
   31    HA   LEU   5           HA       LEU   5  -6.488   1.753  -0.006
   32    HB2  LEU   5          2HB       LEU   5  -9.485   1.728  -0.424
   33    HB3  LEU   5          1HB       LEU   5  -8.375   2.670  -1.419
   34    HG   LEU   5           HG       LEU   5  -8.178  -0.332  -1.029
   35   HD11  LEU   5          1HD1      LEU   5  -9.424   1.313  -3.247
   36   HD12  LEU   5          2HD1      LEU   5 -10.207   0.092  -2.247
   37   HD13  LEU   5          3HD1      LEU   5  -8.992  -0.386  -3.431
   38   HD21  LEU   5          1HD2      LEU   5  -6.049   0.297  -1.706
   39   HD22  LEU   5          2HD2      LEU   5  -6.626   1.729  -2.556
   40   HD23  LEU   5          3HD2      LEU   5  -6.821   0.134  -3.283
   41    H    ARG   6           H        ARG   6  -9.304   2.626   1.976
   42    HA   ARG   6           HA       ARG   6  -8.978   5.413   1.853
   43    HB2  ARG   6          2HB       ARG   6 -11.000   4.293   2.713
   44    HB3  ARG   6          1HB       ARG   6 -10.093   3.750   4.123
   45    HG2  ARG   6          2HG       ARG   6  -9.950   6.675   3.573
   46    HG3  ARG   6          1HG       ARG   6 -11.536   6.075   4.040
   47    HD2  ARG   6          2HD       ARG   6  -8.994   5.542   5.610
   48    HD3  ARG   6          1HD       ARG   6 -10.135   6.829   5.979
   49    HE   ARG   6           HE       ARG   6 -11.610   4.471   5.886
   50   HH11  ARG   6          1HH1      ARG   6 -12.059   3.296   7.778
   51   HH12  ARG   6          2HH1      ARG   6 -11.062   3.504   9.178
   52   HH21  ARG   6          1HH2      ARG   6  -8.982   5.835   7.706
   53   HH22  ARG   6          2HH2      ARG   6  -9.337   4.929   9.140
   54    H    PHE   7           H        PHE   7  -7.689   3.019   4.159
   55    HA   PHE   7           HA       PHE   7  -6.442   4.806   5.906
   56    HB2  PHE   7          2HB       PHE   7  -6.768   2.412   6.394
   57    HB3  PHE   7          1HB       PHE   7  -5.611   1.998   5.131
   58    HD1  PHE   7          1HD       PHE   7  -3.308   1.945   5.572
   59    HD2  PHE   7          2HD       PHE   7  -5.956   3.892   8.337
   60    HE1  PHE   7          1HE       PHE   7  -1.443   2.185   7.187
   61    HE2  PHE   7          2HE       PHE   7  -4.086   4.135   9.954
   62    HZ   PHE   7           HZ       PHE   7  -1.831   3.277   9.378
   63    H    LEU   8           H        LEU   8  -5.230   3.204   2.964
   64    HA   LEU   8           HA       LEU   8  -2.595   4.213   3.177
   65    HB2  LEU   8          2HB       LEU   8  -4.233   3.178   0.875
   66    HB3  LEU   8          1HB       LEU   8  -2.610   3.818   0.623
   67    HG   LEU   8           HG       LEU   8  -3.081   1.771   2.775
   68   HD11  LEU   8          1HD1      LEU   8  -4.093   0.765   0.812
   69   HD12  LEU   8          2HD1      LEU   8  -2.509   0.025   1.063
   70   HD13  LEU   8          3HD1      LEU   8  -2.723   1.246  -0.192
   71   HD21  LEU   8          1HD2      LEU   8  -0.680   1.851   0.977
   72   HD22  LEU   8          2HD2      LEU   8  -0.789   1.484   2.696
   73   HD23  LEU   8          3HD2      LEU   8  -0.866   3.154   2.152
   74    H    LEU   9           H        LEU   9  -5.484   5.469   1.555
   75    HA   LEU   9           HA       LEU   9  -4.253   7.690   0.323
   76    HB2  LEU   9          2HB       LEU   9  -6.629   6.620   0.048
   77    HB3  LEU   9          1HB       LEU   9  -7.084   7.771   1.302
   78    HG   LEU   9           HG       LEU   9  -5.678   8.522  -1.278
   79   HD11  LEU   9          1HD1      LEU   9  -7.882   7.715  -1.824
   80   HD12  LEU   9          2HD1      LEU   9  -7.946   9.478  -1.854
   81   HD13  LEU   9          3HD1      LEU   9  -8.593   8.594  -0.472
   82   HD21  LEU   9          1HD2      LEU   9  -6.706  10.023   1.112
   83   HD22  LEU   9          2HD2      LEU   9  -6.781  10.799  -0.471
   84   HD23  LEU   9          3HD2      LEU   9  -5.231  10.281   0.183
   85    H    SER  10           H        SER  10  -5.824   7.332   3.497
   86    HA   SER  10           HA       SER  10  -5.648  10.014   4.307
   87    HB2  SER  10          2HB       SER  10  -5.553   7.496   5.988
   88    HB3  SER  10          1HB       SER  10  -5.837   9.121   6.609
   89    HG   SER  10           HG       SER  10  -7.417   8.449   4.474
   90    H    LYS  11           H        LYS  11  -3.296   7.336   4.587
   91    HA   LYS  11           HA       LYS  11  -1.404   8.896   6.087
   92    HB2  LYS  11          2HB       LYS  11  -1.077   6.366   4.468
   93    HB3  LYS  11          1HB       LYS  11   0.206   7.074   5.448
   94    HG2  LYS  11          2HG       LYS  11  -2.507   6.259   6.537
   95    HG3  LYS  11          1HG       LYS  11  -1.076   5.238   6.604
   96    HD2  LYS  11          2HD       LYS  11   0.047   7.278   7.792
   97    HD3  LYS  11          1HD       LYS  11  -1.607   7.826   8.061
   98    HE2  LYS  11          2HE       LYS  11  -2.167   5.729   9.178
   99    HE3  LYS  11          1HE       LYS  11  -0.541   5.114   8.877
  100    HZ1  LYS  11          1HZ       LYS  11  -0.092   7.507  10.066
  101    HZ2  LYS  11          2HZ       LYS  11  -0.054   5.998  10.848
  102    HZ3  LYS  11          3HZ       LYS  11  -1.465   6.945  10.891
  103    H    GLY  12           H        GLY  12  -1.745   8.123   2.648
  104    HA2  GLY  12          2HA       GLY  12  -0.409  10.543   1.872
  105    HA3  GLY  12          1HA       GLY  12   0.579   9.112   1.589
  106    H    ARG  13           H        ARG  13  -0.202  10.678  -0.544
  107    HA   ARG  13           HA       ARG  13  -2.522   9.397  -1.804
  108    HB2  ARG  13          2HB       ARG  13  -2.195  11.847  -2.030
  109    HB3  ARG  13          1HB       ARG  13  -0.671  11.546  -2.865
  110    HG2  ARG  13          2HG       ARG  13  -1.876  10.291  -4.617
  111    HG3  ARG  13          1HG       ARG  13  -3.403  10.593  -3.785
  112    HD2  ARG  13          2HD       ARG  13  -2.939  13.057  -3.999
  113    HD3  ARG  13          1HD       ARG  13  -1.547  12.656  -4.998
  114    HE   ARG  13           HE       ARG  13  -3.776  11.352  -6.090
  115   HH11  ARG  13          1HH1      ARG  13  -4.837  12.274  -7.876
  116   HH12  ARG  13          2HH1      ARG  13  -4.673  13.968  -8.195
  117   HH21  ARG  13          1HH2      ARG  13  -2.593  14.540  -5.477
  118   HH22  ARG  13          2HH2      ARG  13  -3.401  15.252  -6.832
  119    H    ALA  14           H        ALA  14   0.976   9.475  -1.964
  120    HA   ALA  14           HA       ALA  14   1.341   8.208  -4.455
  121    HB1  ALA  14          1HB       ALA  14   3.161   7.735  -2.108
  122    HB2  ALA  14          2HB       ALA  14   3.060   9.333  -2.845
  123    HB3  ALA  14          3HB       ALA  14   3.577   7.948  -3.808
  124    H    LEU  15           H        LEU  15   0.984   6.906  -1.178
  125    HA   LEU  15           HA       LEU  15   1.401   4.188  -1.770
  126    HB2  LEU  15          2HB       LEU  15  -0.478   5.278   0.320
  127    HB3  LEU  15          1HB       LEU  15   0.383   3.753   0.347
  128    HG   LEU  15           HG       LEU  15   1.796   6.424   0.299
  129   HD11  LEU  15          1HD1      LEU  15   0.573   6.454   2.325
  130   HD12  LEU  15          2HD1      LEU  15   2.182   5.887   2.771
  131   HD13  LEU  15          3HD1      LEU  15   0.851   4.738   2.612
  132   HD21  LEU  15          1HD2      LEU  15   2.618   3.550   0.696
  133   HD22  LEU  15          2HD2      LEU  15   3.578   4.858   1.378
  134   HD23  LEU  15          3HD2      LEU  15   3.320   4.772  -0.361
  135    H    TYR  16           H        TYR  16  -1.523   6.174  -1.740
  136    HA   TYR  16           HA       TYR  16  -3.417   4.161  -2.276
  137    HB2  TYR  16          2HB       TYR  16  -4.078   6.356  -1.504
  138    HB3  TYR  16          1HB       TYR  16  -3.406   7.117  -2.939
  139    HD1  TYR  16          1HD       TYR  16  -4.883   7.663  -4.633
  140    HD2  TYR  16          2HD       TYR  16  -5.802   4.361  -2.046
  141    HE1  TYR  16          1HE       TYR  16  -7.053   7.362  -5.791
  142    HE2  TYR  16          2HE       TYR  16  -7.972   4.056  -3.206
  143    HH   TYR  16           HH       TYR  16  -8.793   4.800  -5.826
  144    H    ASN  17           H        ASN  17  -1.605   6.320  -4.438
  145    HA   ASN  17           HA       ASN  17  -2.744   5.430  -6.848
  146    HB2  ASN  17          2HB       ASN  17  -0.093   6.681  -6.167
  147    HB3  ASN  17          1HB       ASN  17  -0.507   6.229  -7.821
  148   HD21  ASN  17          1HD2      ASN  17  -0.116   8.960  -7.153
  149   HD22  ASN  17          2HD2      ASN  17  -1.609   9.763  -7.243
  150    H    TRP  18           H        TRP  18   0.115   4.334  -5.065
  151    HA   TRP  18           HA       TRP  18   1.058   2.442  -6.892
  152    HB2  TRP  18          2HB       TRP  18   2.410   3.074  -4.997
  153    HB3  TRP  18          1HB       TRP  18   1.176   2.509  -3.867
  154    HD1  TRP  18           HD       TRP  18   1.152   0.011  -3.252
  155    HE1  TRP  18          1HE       TRP  18   2.602  -2.021  -3.900
  156    HE3  TRP  18          3HE       TRP  18   3.843   2.044  -7.084
  157    HZ2  TRP  18          2HZ       TRP  18   4.646  -2.689  -5.793
  158    HZ3  TRP  18          3HZ       TRP  18   5.538   0.698  -8.287
  159    HH2  TRP  18           HH       TRP  18   5.943  -1.665  -7.647
  160    H    ALA  19           H        ALA  19  -1.237   2.086  -4.191
  161    HA   ALA  19           HA       ALA  19  -1.661  -0.677  -4.459
  162    HB1  ALA  19          1HB       ALA  19  -3.344   1.571  -3.366
  163    HB2  ALA  19          2HB       ALA  19  -2.435   0.350  -2.474
  164    HB3  ALA  19          3HB       ALA  19  -3.899  -0.101  -3.346
  165    H    LYS  20           H        LYS  20  -3.341   2.094  -5.916
  166    HA   LYS  20           HA       LYS  20  -5.339   0.601  -7.243
  167    HB2  LYS  20          2HB       LYS  20  -5.451   3.053  -6.907
  168    HB3  LYS  20          1HB       LYS  20  -4.139   3.260  -8.067
  169    HG2  LYS  20          2HG       LYS  20  -5.505   2.208  -9.822
  170    HG3  LYS  20          1HG       LYS  20  -6.813   1.956  -8.666
  171    HD2  LYS  20          2HD       LYS  20  -6.975   4.402  -8.319
  172    HD3  LYS  20          1HD       LYS  20  -5.684   4.647  -9.498
  173    HE2  LYS  20          2HE       LYS  20  -7.064   3.584 -11.243
  174    HE3  LYS  20          1HE       LYS  20  -8.352   3.319 -10.067
  175    HZ1  LYS  20          1HZ       LYS  20  -7.745   5.979  -9.847
  176    HZ2  LYS  20          2HZ       LYS  20  -9.095   5.315 -10.638
  177    HZ3  LYS  20          3HZ       LYS  20  -7.689   5.684 -11.517
  178    H    SER  21           H        SER  21  -2.152   1.727  -8.302
  179    HA   SER  21           HA       SER  21  -2.312   0.862 -10.968
  180    HB2  SER  21          2HB       SER  21   0.107   1.137  -9.175
  181    HB3  SER  21          1HB       SER  21   0.164   0.937 -10.924
  182    HG   SER  21           HG       SER  21   0.154   3.169  -9.905
  183    H    HIS  22           H        HIS  22  -1.184  -0.835  -8.043
  184    HA   HIS  22           HA       HIS  22  -1.262  -3.360  -9.599
  185    HB2  HIS  22          2HB       HIS  22   0.767  -2.428  -7.566
  186    HB3  HIS  22          1HB       HIS  22   0.586  -4.119  -8.033
  187    HD1  HIS  22          1HD       HIS  22   1.465  -0.739  -9.500
  188    HD2  HIS  22          2HD       HIS  22   1.672  -4.772 -10.531
  189    HE1  HIS  22          1HE       HIS  22   2.847  -0.866 -11.617
  190    HE2  HIS  22          2HE       HIS  22   2.981  -3.319 -12.261
  191    H    VAL  23           H        VAL  23  -3.330  -3.843  -8.872
  192    HA   VAL  23           HA       VAL  23  -4.066  -3.792  -6.124
  193    HB   VAL  23           HB       VAL  23  -6.009  -5.127  -6.839
  194   HG11  VAL  23          1HG1      VAL  23  -6.920  -3.519  -8.450
  195   HG12  VAL  23          2HG1      VAL  23  -5.292  -2.966  -8.848
  196   HG13  VAL  23          3HG1      VAL  23  -5.957  -2.669  -7.242
  197   HG21  VAL  23          1HG2      VAL  23  -6.131  -5.686  -9.322
  198   HG22  VAL  23          2HG2      VAL  23  -4.989  -6.655  -8.391
  199   HG23  VAL  23          3HG2      VAL  23  -4.405  -5.334  -9.402
  200    H    GLY  24           H        GLY  24  -2.336  -5.965  -8.155
  201    HA2  GLY  24          2HA       GLY  24  -2.709  -8.389  -6.775
  202    HA3  GLY  24          1HA       GLY  24  -1.311  -7.985  -7.773
  203    H    LYS  25           H        LYS  25  -0.351  -5.765  -6.341
  204    HA   LYS  25           HA       LYS  25   1.214  -7.009  -4.351
  205    HB2  LYS  25          2HB       LYS  25   0.624  -4.071  -4.809
  206    HB3  LYS  25          1HB       LYS  25   1.895  -4.695  -3.760
  207    HG2  LYS  25          2HG       LYS  25   1.766  -5.580  -6.630
  208    HG3  LYS  25          1HG       LYS  25   2.490  -4.025  -6.223
  209    HD2  LYS  25          2HD       LYS  25   3.987  -5.195  -4.598
  210    HD3  LYS  25          1HD       LYS  25   3.328  -6.734  -5.145
  211    HE2  LYS  25          2HE       LYS  25   4.671  -4.725  -6.967
  212    HE3  LYS  25          1HE       LYS  25   5.473  -6.137  -6.278
  213    HZ1  LYS  25          1HZ       LYS  25   3.489  -7.402  -7.290
  214    HZ2  LYS  25          2HZ       LYS  25   4.756  -6.907  -8.309
  215    HZ3  LYS  25          3HZ       LYS  25   3.303  -6.026  -8.264
  216    H    VAL  26           H        VAL  26  -1.721  -5.051  -4.195
  217    HA   VAL  26           HA       VAL  26  -1.912  -4.737  -1.410
  218    HB   VAL  26           HB       VAL  26  -3.996  -4.827  -3.588
  219   HG11  VAL  26          1HG1      VAL  26  -5.228  -5.501  -1.674
  220   HG12  VAL  26          2HG1      VAL  26  -5.457  -3.754  -1.749
  221   HG13  VAL  26          3HG1      VAL  26  -4.306  -4.441  -0.605
  222   HG21  VAL  26          1HG2      VAL  26  -3.972  -2.464  -3.409
  223   HG22  VAL  26          2HG2      VAL  26  -2.271  -2.919  -3.313
  224   HG23  VAL  26          3HG2      VAL  26  -3.157  -2.509  -1.845
  225    H    TRP  27           H        TRP  27  -3.225  -7.185  -3.594
  226    HA   TRP  27           HA       TRP  27  -4.544  -8.713  -1.614
  227    HB2  TRP  27          2HB       TRP  27  -3.469  -9.424  -4.347
  228    HB3  TRP  27          1HB       TRP  27  -4.311 -10.594  -3.326
  229    HD1  TRP  27           HD       TRP  27  -4.983  -8.135  -5.911
  230    HE1  TRP  27          1HE       TRP  27  -7.469  -7.453  -5.943
  231    HE3  TRP  27          3HE       TRP  27  -6.478 -10.039  -1.414
  232    HZ2  TRP  27          2HZ       TRP  27  -9.786  -7.681  -4.278
  233    HZ3  TRP  27          3HZ       TRP  27  -8.826  -9.792  -0.661
  234    HH2  TRP  27           HH       TRP  27 -10.480  -8.618  -2.087
  235    H    GLU  28           H        GLU  28  -1.296  -8.921  -2.992
  236    HA   GLU  28           HA       GLU  28  -0.425 -11.250  -1.761
  237    HB2  GLU  28          2HB       GLU  28   0.726  -9.724  -3.538
  238    HB3  GLU  28          1HB       GLU  28   1.417  -8.907  -2.135
  239    HG2  GLU  28          2HG       GLU  28   1.596 -11.886  -2.658
  240    HG3  GLU  28          1HG       GLU  28   2.885 -10.733  -2.989
  241    H    TRP  29           H        TRP  29  -0.175  -7.865  -0.550
  242    HA   TRP  29           HA       TRP  29   1.160  -8.665   1.841
  243    HB2  TRP  29          2HB       TRP  29  -0.573  -6.218   1.714
  244    HB3  TRP  29          1HB       TRP  29   0.883  -6.501   2.652
  245    HD1  TRP  29           HD       TRP  29  -0.124  -4.504  -0.052
  246    HE1  TRP  29          1HE       TRP  29   1.774  -3.971  -1.703
  247    HE3  TRP  29          3HE       TRP  29   3.292  -7.988   1.409
  248    HZ2  TRP  29          2HZ       TRP  29   4.406  -4.896  -2.317
  249    HZ3  TRP  29          3HZ       TRP  29   5.489  -8.122   0.293
  250    HH2  TRP  29           HH       TRP  29   6.057  -6.589  -1.564
  251    H    LEU  30           H        LEU  30  -2.272  -8.230   1.038
  252    HA   LEU  30           HA       LEU  30  -3.211  -8.466   3.705
  253    HB2  LEU  30          2HB       LEU  30  -4.555  -9.036   1.060
  254    HB3  LEU  30          1HB       LEU  30  -5.389  -9.151   2.610
  255    HG   LEU  30           HG       LEU  30  -3.932  -6.668   1.648
  256   HD11  LEU  30          1HD1      LEU  30  -6.779  -7.586   1.366
  257   HD12  LEU  30          2HD1      LEU  30  -5.754  -6.765   0.190
  258   HD13  LEU  30          3HD1      LEU  30  -6.436  -5.865   1.546
  259   HD21  LEU  30          1HD2      LEU  30  -5.671  -5.793   3.518
  260   HD22  LEU  30          2HD2      LEU  30  -4.055  -6.354   3.937
  261   HD23  LEU  30          3HD2      LEU  30  -5.436  -7.433   4.122
  262    H    LYS  31           H        LYS  31  -2.601 -10.901   1.193
  263    HA   LYS  31           HA       LYS  31  -3.583 -13.132   2.619
  264    HB2  LYS  31          2HB       LYS  31  -3.088 -13.138   0.183
  265    HB3  LYS  31          1HB       LYS  31  -1.366 -13.073   0.558
  266    HG2  LYS  31          2HG       LYS  31  -1.534 -15.194   1.784
  267    HG3  LYS  31          1HG       LYS  31  -3.267 -15.257   1.462
  268    HD2  LYS  31          2HD       LYS  31  -2.828 -15.331  -0.959
  269    HD3  LYS  31          1HD       LYS  31  -1.093 -15.245  -0.654
  270    HE2  LYS  31          2HE       LYS  31  -1.735 -17.568  -1.042
  271    HE3  LYS  31          1HE       LYS  31  -1.254 -17.372   0.643
  272    HZ1  LYS  31          1HZ       LYS  31  -3.322 -18.643   0.376
  273    HZ2  LYS  31          2HZ       LYS  31  -4.054 -17.287  -0.342
  274    HZ3  LYS  31          3HZ       LYS  31  -3.550 -17.225   1.279
  275    H    SER  32           H        SER  32  -0.365 -11.651   2.439
  276    HA   SER  32           HA       SER  32   0.942 -13.588   4.050
  277    HB2  SER  32          2HB       SER  32   2.706 -11.878   4.263
  278    HB3  SER  32          1HB       SER  32   2.173 -12.047   2.592
  279    HG   SER  32           HG       SER  32   2.341  -9.840   3.479
  280    H    GLY  33           H        GLY  33  -1.165 -10.937   4.792
  281    HA2  GLY  33          2HA       GLY  33  -2.152 -10.480   6.863
  282    HA3  GLY  33          1HA       GLY  33  -1.035 -11.617   7.613
  283    H    ALA  34           H        ALA  34   0.347  -9.306   5.499
  284    HA   ALA  34           HA       ALA  34   2.024  -8.211   7.494
  285    HB1  ALA  34          1HB       ALA  34   2.454  -6.462   5.624
  286    HB2  ALA  34          2HB       ALA  34   1.418  -7.498   4.639
  287    HB3  ALA  34          3HB       ALA  34   2.906  -8.143   5.334
  288    H    THR  35           H        THR  35   2.154  -6.004   8.192
  289    HA   THR  35           HA       THR  35  -0.439  -4.952   8.952
  290    HB   THR  35           HB       THR  35   0.863  -3.388  10.317
  291    HG1  THR  35          1HG       THR  35   3.152  -3.559  10.205
  292   HG21  THR  35          1HG2      THR  35   1.728  -6.288  10.342
  293   HG22  THR  35          2HG2      THR  35   0.505  -5.513  11.346
  294   HG23  THR  35          3HG2      THR  35   2.212  -5.148  11.598
  295    H    TYR  36           H        TYR  36  -1.208  -2.885   8.498
  296    HA   TYR  36           HA       TYR  36  -0.897  -1.974   5.865
  297    HB2  TYR  36          2HB       TYR  36  -1.911  -0.364   8.202
  298    HB3  TYR  36          1HB       TYR  36  -2.297  -0.143   6.496
  299    HD1  TYR  36          1HD       TYR  36  -3.036  -2.572   5.365
  300    HD2  TYR  36          2HD       TYR  36  -3.613  -1.341   9.442
  301    HE1  TYR  36          1HE       TYR  36  -4.926  -4.148   5.573
  302    HE2  TYR  36          2HE       TYR  36  -5.511  -2.920   9.643
  303    HH   TYR  36           HH       TYR  36  -6.290  -4.991   8.561
  304    H    GLU  37           H        GLU  37   0.515  -0.840   8.887
  305    HA   GLU  37           HA       GLU  37   1.764   1.458   7.831
  306    HB2  GLU  37          2HB       GLU  37   1.400   1.057  10.247
  307    HB3  GLU  37          1HB       GLU  37   2.611  -0.223  10.200
  308    HG2  GLU  37          2HG       GLU  37   4.317   1.403   9.493
  309    HG3  GLU  37          1HG       GLU  37   3.107   2.684   9.479
  310    H    GLN  38           H        GLN  38   3.064  -1.814   8.450
  311    HA   GLN  38           HA       GLN  38   5.655  -1.302   7.524
  312    HB2  GLN  38          2HB       GLN  38   5.030  -3.286   8.791
  313    HB3  GLN  38          1HB       GLN  38   4.077  -3.878   7.434
  314    HG2  GLN  38          2HG       GLN  38   6.095  -3.940   6.046
  315    HG3  GLN  38          1HG       GLN  38   7.060  -3.342   7.393
  316   HE21  GLN  38          1HE2      GLN  38   8.105  -4.983   8.497
  317   HE22  GLN  38          2HE2      GLN  38   7.519  -6.564   8.689
  318    H    ILE  39           H        ILE  39   2.752  -2.360   5.775
  319    HA   ILE  39           HA       ILE  39   4.001  -2.849   3.299
  320    HB   ILE  39           HB       ILE  39   1.152  -2.067   3.969
  321   HG12  ILE  39          2HG1      ILE  39   2.255  -4.771   3.212
  322   HG13  ILE  39          1HG1      ILE  39   2.321  -4.220   4.878
  323   HG21  ILE  39          1HG2      ILE  39   0.640  -3.065   1.747
  324   HG22  ILE  39          2HG2      ILE  39   2.368  -3.275   1.447
  325   HG23  ILE  39          3HG2      ILE  39   1.679  -1.650   1.571
  326   HD11  ILE  39          1HD1      ILE  39  -0.163  -4.516   3.171
  327   HD12  ILE  39          2HD1      ILE  39  -0.145  -3.795   4.768
  328   HD13  ILE  39          3HD1      ILE  39   0.270  -5.486   4.580
  329    H    LYS  40           H        LYS  40   2.447   0.219   4.565
  330    HA   LYS  40           HA       LYS  40   3.008   1.521   2.067
  331    HB2  LYS  40          2HB       LYS  40   2.799   3.704   3.190
  332    HB3  LYS  40          1HB       LYS  40   1.368   2.656   3.427
  333    HG2  LYS  40          2HG       LYS  40   2.117   2.070   5.662
  334    HG3  LYS  40          1HG       LYS  40   3.637   2.935   5.423
  335    HD2  LYS  40          2HD       LYS  40   2.376   5.049   5.137
  336    HD3  LYS  40          1HD       LYS  40   0.867   4.178   5.419
  337    HE2  LYS  40          2HE       LYS  40   1.929   5.394   7.433
  338    HE3  LYS  40          1HE       LYS  40   1.421   3.722   7.675
  339    HZ1  LYS  40          1HZ       LYS  40   4.158   4.289   6.765
  340    HZ2  LYS  40          2HZ       LYS  40   3.569   2.969   7.657
  341    HZ3  LYS  40          3HZ       LYS  40   3.777   4.479   8.409
  342    H    GLU  41           H        GLU  41   4.797   1.037   5.063
  343    HA   GLU  41           HA       GLU  41   6.830   2.886   4.686
  344    HB2  GLU  41          2HB       GLU  41   6.553   1.503   6.712
  345    HB3  GLU  41          1HB       GLU  41   7.073   0.094   5.795
  346    HG2  GLU  41          2HG       GLU  41   9.243   1.150   5.360
  347    HG3  GLU  41          1HG       GLU  41   8.727   2.590   6.236
  348    H    TRP  42           H        TRP  42   6.615  -0.506   3.564
  349    HA   TRP  42           HA       TRP  42   9.070  -0.557   2.174
  350    HB2  TRP  42          2HB       TRP  42   6.498  -2.034   1.546
  351    HB3  TRP  42          1HB       TRP  42   8.043  -2.363   0.788
  352    HD1  TRP  42           HD       TRP  42   9.812  -2.202   3.530
  353    HE1  TRP  42          1HE       TRP  42   9.638  -4.175   5.164
  354    HE3  TRP  42          3HE       TRP  42   5.360  -4.203   2.019
  355    HZ2  TRP  42          2HZ       TRP  42   7.839  -6.334   5.761
  356    HZ3  TRP  42          3HZ       TRP  42   4.434  -6.214   3.137
  357    HH2  TRP  42           HH       TRP  42   5.675  -7.281   5.006
  358    H    ILE  43           H        ILE  43   5.807   0.310   1.145
  359    HA   ILE  43           HA       ILE  43   6.443   0.672  -1.576
  360    HB   ILE  43           HB       ILE  43   4.263   1.835   0.148
  361   HG12  ILE  43          2HG1      ILE  43   4.245  -0.328  -1.981
  362   HG13  ILE  43          1HG1      ILE  43   4.383  -0.646  -0.251
  363   HG21  ILE  43          1HG2      ILE  43   4.726   2.040  -2.842
  364   HG22  ILE  43          2HG2      ILE  43   4.517   3.363  -1.697
  365   HG23  ILE  43          3HG2      ILE  43   3.154   2.317  -2.089
  366   HD11  ILE  43          1HD1      ILE  43   2.027  -0.782  -1.259
  367   HD12  ILE  43          2HD1      ILE  43   2.103   0.975  -1.388
  368   HD13  ILE  43          3HD1      ILE  43   2.212   0.202   0.193
  369    H    GLU  44           H        GLU  44   6.355   3.070   1.069
  370    HA   GLU  44           HA       GLU  44   6.971   5.189  -0.676
  371    HB2  GLU  44          2HB       GLU  44   7.153   6.593   1.270
  372    HB3  GLU  44          1HB       GLU  44   5.758   5.516   1.462
  373    HG2  GLU  44          2HG       GLU  44   6.590   4.720   3.393
  374    HG3  GLU  44          1HG       GLU  44   8.074   4.227   2.602
  375    H    ASN  45           H        ASN  45   8.996   2.986   1.234
  376    HA   ASN  45           HA       ASN  45  11.447   4.357   0.880
  377    HB2  ASN  45          2HB       ASN  45  11.119   2.490   2.485
  378    HB3  ASN  45          1HB       ASN  45  10.956   1.379   1.125
  379   HD21  ASN  45          1HD2      ASN  45  12.907   0.181   1.440
  380   HD22  ASN  45          2HD2      ASN  45  14.444   0.890   1.333
  381    H    ALA  46           H        ALA  46   9.790   1.861  -1.072
  382    HA   ALA  46           HA       ALA  46  11.826   1.541  -3.007
  383    HB1  ALA  46          1HB       ALA  46   9.879   0.006  -2.678
  384    HB2  ALA  46          2HB       ALA  46  10.107   0.497  -4.357
  385    HB3  ALA  46          3HB       ALA  46   8.841   1.245  -3.383
  386    H    LEU  47           H        LEU  47   8.981   3.651  -2.836
  387    HA   LEU  47           HA       LEU  47   9.160   4.797  -5.377
  388    HB2  LEU  47          2HB       LEU  47   7.347   4.940  -3.514
  389    HB3  LEU  47          1HB       LEU  47   8.269   6.323  -2.939
  390    HG   LEU  47           HG       LEU  47   7.281   6.062  -5.800
  391   HD11  LEU  47          1HD1      LEU  47   5.396   6.155  -4.131
  392   HD12  LEU  47          2HD1      LEU  47   5.456   7.547  -5.213
  393   HD13  LEU  47          3HD1      LEU  47   6.047   7.694  -3.560
  394   HD21  LEU  47          1HD2      LEU  47   8.716   8.159  -4.205
  395   HD22  LEU  47          2HD2      LEU  47   7.573   8.698  -5.434
  396   HD23  LEU  47          3HD2      LEU  47   8.941   7.681  -5.886
  397    H    GLY  48           H        GLY  48  10.617   5.821  -2.265
  398    HA2  GLY  48          2HA       GLY  48  11.820   8.196  -3.185
  399    HA3  GLY  48          1HA       GLY  48  12.350   7.260  -1.790
  400    H    TRP  49           H        TRP  49  12.997   4.859  -3.083
  401    HA   TRP  49           HA       TRP  49  14.901   5.409  -5.210
  402    HB2  TRP  49          2HB       TRP  49  16.838   4.595  -4.050
  403    HB3  TRP  49          1HB       TRP  49  16.162   5.910  -3.093
  404    HD1  TRP  49           HD       TRP  49  14.898   5.239  -0.812
  405    HE1  TRP  49          1HE       TRP  49  15.126   3.148   0.686
  406    HE3  TRP  49          3HE       TRP  49  17.163   2.062  -4.086
  407    HZ2  TRP  49          2HZ       TRP  49  16.140   0.472   0.509
  408    HZ3  TRP  49          3HZ       TRP  49  17.750  -0.248  -3.409
  409    HH2  TRP  49           HH       TRP  49  17.241  -1.047  -1.118
  410    H    ARG  50           H        ARG  50  15.850   3.386  -6.048
  411    HA   ARG  50           HA       ARG  50  15.112   0.830  -5.134
  412    HB2  ARG  50          2HB       ARG  50  13.448   0.187  -6.835
  413    HB3  ARG  50          1HB       ARG  50  12.818   1.456  -5.782
  414    HG2  ARG  50          2HG       ARG  50  13.439   3.145  -7.489
  415    HG3  ARG  50          1HG       ARG  50  14.017   1.855  -8.543
  416    HD2  ARG  50          2HD       ARG  50  11.179   2.057  -7.492
  417    HD3  ARG  50          1HD       ARG  50  11.688   2.612  -9.083
  418    HE   ARG  50           HE       ARG  50  12.502  -0.051  -8.837
  419   HH11  ARG  50          1HH1      ARG  50  11.278  -1.680  -9.786
  420   HH12  ARG  50          2HH1      ARG  50   9.595  -1.431 -10.111
  421   HH21  ARG  50          1HH2      ARG  50   9.569   1.805  -8.839
  422   HH22  ARG  50          2HH2      ARG  50   8.621   0.552  -9.571
  Start of MODEL   15
    1    H    FME   1           H        FME   1 -11.846  -5.188   1.426
    2    HCN  FME   1           HF       FME   1 -12.080  -4.274   3.565
    3    HA   FME   1           HA       FME   1  -9.361  -4.163   0.909
    4    HB2  FME   1          1HB       FME   1 -11.640  -4.057  -1.074
    5    HB3  FME   1          2HB       FME   1 -10.784  -5.542  -0.654
    6    HG2  FME   1          1HG       FME   1  -8.651  -4.469  -1.363
    7    HG3  FME   1          2HG       FME   1  -9.552  -3.030  -1.841
    8    HE1  FME   1          1HE       FME   1  -8.908  -3.061  -4.514
    9    HE2  FME   1          2HE       FME   1  -8.440  -4.631  -5.164
   10    HE3  FME   1          3HE       FME   1  -7.730  -4.064  -3.655
   11    H    ALA   2           H        ALA   2 -12.463  -2.451   0.721
   12    HA   ALA   2           HA       ALA   2 -11.514  -0.012  -0.323
   13    HB1  ALA   2          1HB       ALA   2 -13.855  -0.387   1.560
   14    HB2  ALA   2          2HB       ALA   2 -13.928  -0.678  -0.178
   15    HB3  ALA   2          3HB       ALA   2 -13.608   0.947   0.432
   16    H    GLY   3           H        GLY   3 -11.870  -1.162   3.009
   17    HA2  GLY   3          2HA       GLY   3 -11.236   1.234   4.326
   18    HA3  GLY   3          1HA       GLY   3 -10.988  -0.377   4.981
   19    H    LEU   4           H        LEU   4  -9.204  -1.400   3.147
   20    HA   LEU   4           HA       LEU   4  -6.748  -0.537   4.133
   21    HB2  LEU   4          2HB       LEU   4  -7.249  -2.778   3.226
   22    HB3  LEU   4          1HB       LEU   4  -7.411  -2.095   1.622
   23    HG   LEU   4           HG       LEU   4  -5.188  -3.295   2.359
   24   HD11  LEU   4          1HD1      LEU   4  -5.631  -2.092   0.203
   25   HD12  LEU   4          2HD1      LEU   4  -3.956  -2.033   0.740
   26   HD13  LEU   4          3HD1      LEU   4  -4.996  -0.627   0.949
   27   HD21  LEU   4          1HD2      LEU   4  -4.905  -1.858   4.392
   28   HD22  LEU   4          2HD2      LEU   4  -4.606  -0.487   3.331
   29   HD23  LEU   4          3HD2      LEU   4  -3.510  -1.863   3.322
   30    H    LEU   5           H        LEU   5  -8.325   0.125   1.018
   31    HA   LEU   5           HA       LEU   5  -6.280   1.724  -0.115
   32    HB2  LEU   5          2HB       LEU   5  -9.280   1.681  -0.517
   33    HB3  LEU   5          1HB       LEU   5  -8.175   2.618  -1.522
   34    HG   LEU   5           HG       LEU   5  -7.997  -0.381  -1.106
   35   HD11  LEU   5          1HD1      LEU   5 -10.027   0.171  -2.358
   36   HD12  LEU   5          2HD1      LEU   5  -8.829  -0.526  -3.449
   37   HD13  LEU   5          3HD1      LEU   5  -9.102   1.215  -3.439
   38   HD21  LEU   5          1HD2      LEU   5  -6.593   0.081  -3.355
   39   HD22  LEU   5          2HD2      LEU   5  -5.854   0.189  -1.756
   40   HD23  LEU   5          3HD2      LEU   5  -6.375   1.654  -2.583
   41    H    ARG   6           H        ARG   6  -9.141   2.539   1.839
   42    HA   ARG   6           HA       ARG   6  -8.908   5.345   1.768
   43    HB2  ARG   6          2HB       ARG   6 -10.867   4.074   2.697
   44    HB3  ARG   6          1HB       ARG   6  -9.883   3.678   4.107
   45    HG2  ARG   6          2HG       ARG   6  -9.522   6.367   4.077
   46    HG3  ARG   6          1HG       ARG   6 -11.100   6.291   3.312
   47    HD2  ARG   6          2HD       ARG   6 -10.399   5.009   5.964
   48    HD3  ARG   6          1HD       ARG   6 -11.278   6.521   5.765
   49    HE   ARG   6           HE       ARG   6 -12.308   3.838   5.314
   50   HH11  ARG   6          1HH1      ARG   6 -14.533   3.744   4.839
   51   HH12  ARG   6          2HH1      ARG   6 -15.392   5.202   4.468
   52   HH21  ARG   6          1HH2      ARG   6 -12.610   7.242   4.823
   53   HH22  ARG   6          2HH2      ARG   6 -14.302   7.186   4.453
   54    H    PHE   7           H        PHE   7  -7.582   2.961   4.033
   55    HA   PHE   7           HA       PHE   7  -6.364   4.737   5.806
   56    HB2  PHE   7          2HB       PHE   7  -6.690   2.327   6.239
   57    HB3  PHE   7          1HB       PHE   7  -5.497   1.949   4.996
   58    HD1  PHE   7          1HD       PHE   7  -3.200   1.890   5.513
   59    HD2  PHE   7          2HD       PHE   7  -5.939   3.819   8.199
   60    HE1  PHE   7          1HE       PHE   7  -1.384   2.140   7.182
   61    HE2  PHE   7          2HE       PHE   7  -4.123   4.072   9.870
   62    HZ   PHE   7           HZ       PHE   7  -1.847   3.232   9.362
   63    H    LEU   8           H        LEU   8  -5.071   3.161   2.867
   64    HA   LEU   8           HA       LEU   8  -2.470   4.242   3.137
   65    HB2  LEU   8          2HB       LEU   8  -3.971   3.335   0.682
   66    HB3  LEU   8          1HB       LEU   8  -2.288   3.837   0.647
   67    HG   LEU   8           HG       LEU   8  -3.214   1.686   2.553
   68   HD11  LEU   8          1HD1      LEU   8  -2.785  -0.021   0.940
   69   HD12  LEU   8          2HD1      LEU   8  -2.084   1.130  -0.201
   70   HD13  LEU   8          3HD1      LEU   8  -3.821   1.142   0.111
   71   HD21  LEU   8          1HD2      LEU   8  -0.522   1.593   1.283
   72   HD22  LEU   8          2HD2      LEU   8  -0.983   1.358   2.960
   73   HD23  LEU   8          3HD2      LEU   8  -0.791   2.977   2.322
   74    H    LEU   9           H        LEU   9  -5.357   5.430   1.485
   75    HA   LEU   9           HA       LEU   9  -4.183   7.688   0.272
   76    HB2  LEU   9          2HB       LEU   9  -6.532   6.566  -0.035
   77    HB3  LEU   9          1HB       LEU   9  -7.016   7.681   1.240
   78    HG   LEU   9           HG       LEU   9  -5.618   8.510  -1.316
   79   HD11  LEU   9          1HD1      LEU   9  -7.919   7.563  -1.660
   80   HD12  LEU   9          2HD1      LEU   9  -7.784   9.264  -2.104
   81   HD13  LEU   9          3HD1      LEU   9  -8.543   8.806  -0.579
   82   HD21  LEU   9          1HD2      LEU   9  -6.807  10.746  -0.429
   83   HD22  LEU   9          2HD2      LEU   9  -5.203  10.269   0.117
   84   HD23  LEU   9          3HD2      LEU   9  -6.609   9.933   1.125
   85    H    SER  10           H        SER  10  -5.783   7.291   3.425
   86    HA   SER  10           HA       SER  10  -5.670   9.985   4.211
   87    HB2  SER  10          2HB       SER  10  -6.988   8.273   5.412
   88    HB3  SER  10          1HB       SER  10  -5.493   7.517   5.956
   89    HG   SER  10           HG       SER  10  -5.211   9.074   7.359
   90    H    LYS  11           H        LYS  11  -3.288   7.338   4.585
   91    HA   LYS  11           HA       LYS  11  -1.464   8.926   6.114
   92    HB2  LYS  11          2HB       LYS  11  -1.004   6.373   4.534
   93    HB3  LYS  11          1HB       LYS  11   0.168   7.102   5.630
   94    HG2  LYS  11          2HG       LYS  11  -2.622   6.273   6.480
   95    HG3  LYS  11          1HG       LYS  11  -1.200   5.249   6.672
   96    HD2  LYS  11          2HD       LYS  11  -0.184   7.337   7.894
   97    HD3  LYS  11          1HD       LYS  11  -1.868   7.843   8.055
   98    HE2  LYS  11          2HE       LYS  11  -2.413   5.705   9.147
   99    HE3  LYS  11          1HE       LYS  11  -0.731   5.197   8.997
  100    HZ1  LYS  11          1HZ       LYS  11  -0.027   6.834  10.483
  101    HZ2  LYS  11          2HZ       LYS  11  -1.448   6.228  11.189
  102    HZ3  LYS  11          3HZ       LYS  11  -1.473   7.713  10.361
  103    H    GLY  12           H        GLY  12  -1.659   8.132   2.656
  104    HA2  GLY  12          2HA       GLY  12  -0.349  10.576   1.940
  105    HA3  GLY  12          1HA       GLY  12   0.692   9.176   1.704
  106    H    ARG  13           H        ARG  13  -0.131  10.795  -0.413
  107    HA   ARG  13           HA       ARG  13  -2.340   9.512  -1.800
  108    HB2  ARG  13          2HB       ARG  13  -0.390  11.680  -2.577
  109    HB3  ARG  13          1HB       ARG  13  -1.649  11.074  -3.656
  110    HG2  ARG  13          2HG       ARG  13  -3.368  11.688  -2.002
  111    HG3  ARG  13          1HG       ARG  13  -2.112  12.284  -0.913
  112    HD2  ARG  13          2HD       ARG  13  -1.414  13.931  -2.610
  113    HD3  ARG  13          1HD       ARG  13  -2.664  13.343  -3.702
  114    HE   ARG  13           HE       ARG  13  -3.956  14.056  -1.342
  115   HH11  ARG  13          1HH1      ARG  13  -4.917  16.097  -1.122
  116   HH12  ARG  13          2HH1      ARG  13  -4.384  17.418  -2.108
  117   HH21  ARG  13          1HH2      ARG  13  -2.015  15.544  -3.810
  118   HH22  ARG  13          2HH2      ARG  13  -2.749  17.103  -3.629
  119    H    ALA  14           H        ALA  14   1.154   9.498  -1.798
  120    HA   ALA  14           HA       ALA  14   1.618   8.225  -4.260
  121    HB1  ALA  14          1HB       ALA  14   3.135   8.557  -1.710
  122    HB2  ALA  14          2HB       ALA  14   3.563   9.057  -3.344
  123    HB3  ALA  14          3HB       ALA  14   3.722   7.367  -2.871
  124    H    LEU  15           H        LEU  15   1.080   6.885  -1.001
  125    HA   LEU  15           HA       LEU  15   1.477   4.182  -1.641
  126    HB2  LEU  15          2HB       LEU  15  -0.497   5.266   0.384
  127    HB3  LEU  15          1HB       LEU  15   0.322   3.707   0.414
  128    HG   LEU  15           HG       LEU  15   1.800   6.356   0.497
  129   HD11  LEU  15          1HD1      LEU  15   2.119   5.710   2.950
  130   HD12  LEU  15          2HD1      LEU  15   0.748   4.618   2.724
  131   HD13  LEU  15          3HD1      LEU  15   0.542   6.357   2.490
  132   HD21  LEU  15          1HD2      LEU  15   2.554   3.453   0.805
  133   HD22  LEU  15          2HD2      LEU  15   3.509   4.729   1.550
  134   HD23  LEU  15          3HD2      LEU  15   3.304   4.704  -0.195
  135    H    TYR  16           H        TYR  16  -1.448   6.198  -1.689
  136    HA   TYR  16           HA       TYR  16  -3.303   4.183  -2.347
  137    HB2  TYR  16          2HB       TYR  16  -4.021   6.345  -1.546
  138    HB3  TYR  16          1HB       TYR  16  -3.308   7.150  -2.933
  139    HD1  TYR  16          1HD       TYR  16  -4.690   7.682  -4.720
  140    HD2  TYR  16          2HD       TYR  16  -5.783   4.425  -2.142
  141    HE1  TYR  16          1HE       TYR  16  -6.819   7.420  -5.954
  142    HE2  TYR  16          2HE       TYR  16  -7.909   4.152  -3.388
  143    HH   TYR  16           HH       TYR  16  -8.694   4.712  -5.812
  144    H    ASN  17           H        ASN  17  -1.395   6.373  -4.399
  145    HA   ASN  17           HA       ASN  17  -2.476   5.536  -6.869
  146    HB2  ASN  17          2HB       ASN  17   0.145   6.788  -6.069
  147    HB3  ASN  17          1HB       ASN  17  -0.180   6.344  -7.743
  148   HD21  ASN  17          1HD2      ASN  17   0.157   9.066  -6.820
  149   HD22  ASN  17          2HD2      ASN  17  -1.315   9.872  -7.069
  150    H    TRP  18           H        TRP  18   0.310   4.375  -5.000
  151    HA   TRP  18           HA       TRP  18   1.268   2.484  -6.838
  152    HB2  TRP  18          2HB       TRP  18   2.605   3.097  -4.932
  153    HB3  TRP  18          1HB       TRP  18   1.355   2.540  -3.820
  154    HD1  TRP  18           HD       TRP  18   1.309   0.033  -3.202
  155    HE1  TRP  18          1HE       TRP  18   2.723  -2.016  -3.861
  156    HE3  TRP  18          3HE       TRP  18   4.023   2.031  -7.047
  157    HZ2  TRP  18          2HZ       TRP  18   4.738  -2.712  -5.760
  158    HZ3  TRP  18          3HZ       TRP  18   5.683   0.643  -8.261
  159    HH2  TRP  18           HH       TRP  18   6.044  -1.725  -7.625
  160    H    ALA  19           H        ALA  19  -1.097   2.144  -4.205
  161    HA   ALA  19           HA       ALA  19  -1.555  -0.618  -4.485
  162    HB1  ALA  19          1HB       ALA  19  -2.391   0.332  -2.511
  163    HB2  ALA  19          2HB       ALA  19  -3.851   0.022  -3.448
  164    HB3  ALA  19          3HB       ALA  19  -3.180   1.653  -3.370
  165    H    LYS  20           H        LYS  20  -3.118   2.172  -6.017
  166    HA   LYS  20           HA       LYS  20  -5.125   0.732  -7.401
  167    HB2  LYS  20          2HB       LYS  20  -5.128   3.196  -7.050
  168    HB3  LYS  20          1HB       LYS  20  -3.795   3.327  -8.194
  169    HG2  LYS  20          2HG       LYS  20  -5.191   2.323  -9.957
  170    HG3  LYS  20          1HG       LYS  20  -6.527   2.174  -8.817
  171    HD2  LYS  20          2HD       LYS  20  -6.555   4.627  -8.521
  172    HD3  LYS  20          1HD       LYS  20  -5.216   4.777  -9.661
  173    HE2  LYS  20          2HE       LYS  20  -7.332   5.208 -10.814
  174    HE3  LYS  20          1HE       LYS  20  -6.620   3.712 -11.412
  175    HZ1  LYS  20          1HZ       LYS  20  -8.332   3.341  -9.136
  176    HZ2  LYS  20          2HZ       LYS  20  -8.301   2.512 -10.618
  177    HZ3  LYS  20          3HZ       LYS  20  -9.143   3.981 -10.481
  178    H    SER  21           H        SER  21  -1.866   1.781  -8.324
  179    HA   SER  21           HA       SER  21  -1.928   0.910 -10.986
  180    HB2  SER  21          2HB       SER  21   0.437   1.133  -9.115
  181    HB3  SER  21          1HB       SER  21   0.534   0.980 -10.868
  182    HG   SER  21           HG       SER  21  -1.172   2.908 -10.395
  183    H    HIS  22           H        HIS  22  -0.938  -0.803  -8.029
  184    HA   HIS  22           HA       HIS  22  -1.012  -3.334  -9.577
  185    HB2  HIS  22          2HB       HIS  22   0.902  -2.658  -7.328
  186    HB3  HIS  22          1HB       HIS  22   0.859  -4.150  -8.262
  187    HD1  HIS  22          1HD       HIS  22   1.298  -3.840 -10.927
  188    HD2  HIS  22          2HD       HIS  22   2.479  -0.676  -8.481
  189    HE1  HIS  22          1HE       HIS  22   2.899  -2.433 -12.296
  190    HE2  HIS  22          2HE       HIS  22   3.628  -0.499 -10.821
  191    H    VAL  23           H        VAL  23  -3.120  -3.728  -8.894
  192    HA   VAL  23           HA       VAL  23  -3.953  -3.675  -6.181
  193    HB   VAL  23           HB       VAL  23  -5.870  -5.016  -6.977
  194   HG11  VAL  23          1HG1      VAL  23  -6.517  -3.442  -8.903
  195   HG12  VAL  23          2HG1      VAL  23  -4.925  -2.715  -8.690
  196   HG13  VAL  23          3HG1      VAL  23  -6.095  -2.681  -7.368
  197   HG21  VAL  23          1HG2      VAL  23  -5.839  -5.454  -9.549
  198   HG22  VAL  23          2HG2      VAL  23  -4.978  -6.585  -8.501
  199   HG23  VAL  23          3HG2      VAL  23  -4.086  -5.346  -9.387
  200    H    GLY  24           H        GLY  24  -2.190  -5.902  -8.140
  201    HA2  GLY  24          2HA       GLY  24  -2.621  -8.283  -6.705
  202    HA3  GLY  24          1HA       GLY  24  -1.209  -7.930  -7.689
  203    H    LYS  25           H        LYS  25  -0.219  -5.674  -6.277
  204    HA   LYS  25           HA       LYS  25   1.291  -6.913  -4.247
  205    HB2  LYS  25          2HB       LYS  25   0.704  -3.963  -4.661
  206    HB3  LYS  25          1HB       LYS  25   1.984  -4.608  -3.637
  207    HG2  LYS  25          2HG       LYS  25   1.812  -5.350  -6.555
  208    HG3  LYS  25          1HG       LYS  25   2.608  -3.861  -6.047
  209    HD2  LYS  25          2HD       LYS  25   4.120  -5.185  -4.588
  210    HD3  LYS  25          1HD       LYS  25   3.348  -6.671  -5.137
  211    HE2  LYS  25          2HE       LYS  25   3.992  -6.163  -7.459
  212    HE3  LYS  25          1HE       LYS  25   4.778  -4.683  -6.916
  213    HZ1  LYS  25          1HZ       LYS  25   6.013  -7.042  -7.143
  214    HZ2  LYS  25          2HZ       LYS  25   5.558  -7.085  -5.506
  215    HZ3  LYS  25          3HZ       LYS  25   6.516  -5.811  -6.091
  216    H    VAL  26           H        VAL  26  -1.614  -4.907  -4.124
  217    HA   VAL  26           HA       VAL  26  -1.832  -4.663  -1.337
  218    HB   VAL  26           HB       VAL  26  -3.926  -4.658  -3.493
  219   HG11  VAL  26          1HG1      VAL  26  -5.085  -5.292  -1.501
  220   HG12  VAL  26          2HG1      VAL  26  -5.324  -3.550  -1.651
  221   HG13  VAL  26          3HG1      VAL  26  -4.136  -4.184  -0.509
  222   HG21  VAL  26          1HG2      VAL  26  -3.775  -2.294  -3.340
  223   HG22  VAL  26          2HG2      VAL  26  -2.101  -2.845  -3.295
  224   HG23  VAL  26          3HG2      VAL  26  -2.914  -2.369  -1.804
  225    H    TRP  27           H        TRP  27  -3.167  -7.023  -3.582
  226    HA   TRP  27           HA       TRP  27  -4.568  -8.557  -1.671
  227    HB2  TRP  27          2HB       TRP  27  -3.444  -9.212  -4.387
  228    HB3  TRP  27          1HB       TRP  27  -4.307 -10.405  -3.420
  229    HD1  TRP  27           HD       TRP  27  -4.944  -7.952  -5.991
  230    HE1  TRP  27          1HE       TRP  27  -7.423  -7.243  -6.038
  231    HE3  TRP  27          3HE       TRP  27  -6.475  -9.791  -1.475
  232    HZ2  TRP  27          2HZ       TRP  27  -9.745  -7.431  -4.373
  233    HZ3  TRP  27          3HZ       TRP  27  -8.817  -9.505  -0.730
  234    HH2  TRP  27           HH       TRP  27 -10.455  -8.330  -2.174
  235    H    GLU  28           H        GLU  28  -1.297  -8.848  -2.980
  236    HA   GLU  28           HA       GLU  28  -0.555 -11.229  -1.764
  237    HB2  GLU  28          2HB       GLU  28   0.763 -10.085  -3.534
  238    HB3  GLU  28          1HB       GLU  28   1.229  -8.854  -2.366
  239    HG2  GLU  28          2HG       GLU  28   2.315 -10.532  -0.972
  240    HG3  GLU  28          1HG       GLU  28   1.780 -11.818  -2.048
  241    H    TRP  29           H        TRP  29  -0.211  -7.860  -0.527
  242    HA   TRP  29           HA       TRP  29   1.066  -8.729   1.871
  243    HB2  TRP  29          2HB       TRP  29  -0.611  -6.246   1.812
  244    HB3  TRP  29          1HB       TRP  29   0.844  -6.576   2.720
  245    HD1  TRP  29           HD       TRP  29  -0.135  -4.449   0.121
  246    HE1  TRP  29          1HE       TRP  29   1.753  -3.898  -1.536
  247    HE3  TRP  29          3HE       TRP  29   3.179  -8.128   1.322
  248    HZ2  TRP  29          2HZ       TRP  29   4.346  -4.863  -2.234
  249    HZ3  TRP  29          3HZ       TRP  29   5.347  -8.268   0.166
  250    HH2  TRP  29           HH       TRP  29   5.946  -6.654  -1.604
  251    H    LEU  30           H        LEU  30  -2.341  -8.188   1.030
  252    HA   LEU  30           HA       LEU  30  -3.368  -8.466   3.656
  253    HB2  LEU  30          2HB       LEU  30  -4.566  -8.867   0.924
  254    HB3  LEU  30          1HB       LEU  30  -5.499  -9.224   2.379
  255    HG   LEU  30           HG       LEU  30  -4.114  -6.570   1.872
  256   HD11  LEU  30          1HD1      LEU  30  -6.571  -5.811   1.569
  257   HD12  LEU  30          2HD1      LEU  30  -6.911  -7.512   1.249
  258   HD13  LEU  30          3HD1      LEU  30  -5.787  -6.627   0.217
  259   HD21  LEU  30          1HD2      LEU  30  -5.793  -7.719   4.070
  260   HD22  LEU  30          2HD2      LEU  30  -6.089  -6.033   3.649
  261   HD23  LEU  30          3HD2      LEU  30  -4.482  -6.544   4.152
  262    H    LYS  31           H        LYS  31  -2.747 -10.883   1.132
  263    HA   LYS  31           HA       LYS  31  -3.791 -13.105   2.508
  264    HB2  LYS  31          2HB       LYS  31  -3.180 -13.094   0.087
  265    HB3  LYS  31          1HB       LYS  31  -1.476 -13.062   0.554
  266    HG2  LYS  31          2HG       LYS  31  -1.713 -15.195   1.712
  267    HG3  LYS  31          1HG       LYS  31  -3.446 -15.220   1.378
  268    HD2  LYS  31          2HD       LYS  31  -2.976 -15.235  -1.046
  269    HD3  LYS  31          1HD       LYS  31  -1.247 -15.239  -0.709
  270    HE2  LYS  31          2HE       LYS  31  -3.221 -17.393   0.111
  271    HE3  LYS  31          1HE       LYS  31  -2.029 -17.515  -1.182
  272    HZ1  LYS  31          1HZ       LYS  31  -1.511 -17.239   1.725
  273    HZ2  LYS  31          2HZ       LYS  31  -0.302 -17.069   0.543
  274    HZ3  LYS  31          3HZ       LYS  31  -1.115 -18.548   0.722
  275    H    SER  32           H        SER  32  -0.552 -11.650   2.440
  276    HA   SER  32           HA       SER  32   0.735 -13.564   4.044
  277    HB2  SER  32          2HB       SER  32   1.949 -11.889   2.725
  278    HB3  SER  32          1HB       SER  32   1.306 -10.606   3.744
  279    HG   SER  32           HG       SER  32   2.552 -12.717   5.047
  280    H    GLY  33           H        GLY  33  -1.000 -10.591   4.856
  281    HA2  GLY  33          2HA       GLY  33  -2.313 -10.361   6.827
  282    HA3  GLY  33          1HA       GLY  33  -1.306 -11.571   7.611
  283    H    ALA  34           H        ALA  34   0.589  -9.434   5.846
  284    HA   ALA  34           HA       ALA  34   2.054  -8.413   7.963
  285    HB1  ALA  34          1HB       ALA  34   1.535  -7.426   5.175
  286    HB2  ALA  34          2HB       ALA  34   3.012  -8.111   5.844
  287    HB3  ALA  34          3HB       ALA  34   2.521  -6.475   6.282
  288    H    THR  35           H        THR  35   2.213  -5.834   8.168
  289    HA   THR  35           HA       THR  35  -0.433  -4.970   9.170
  290    HB   THR  35           HB       THR  35   0.790  -3.411  10.567
  291    HG1  THR  35          1HG       THR  35   3.146  -3.592  10.475
  292   HG21  THR  35          1HG2      THR  35   2.309  -6.011  10.719
  293   HG22  THR  35          2HG2      THR  35   0.598  -5.919  11.136
  294   HG23  THR  35          3HG2      THR  35   1.776  -4.974  12.043
  295    H    TYR  36           H        TYR  36  -1.217  -2.921   8.687
  296    HA   TYR  36           HA       TYR  36  -0.882  -2.032   6.057
  297    HB2  TYR  36          2HB       TYR  36  -1.939  -0.426   8.388
  298    HB3  TYR  36          1HB       TYR  36  -2.278  -0.161   6.677
  299    HD1  TYR  36          1HD       TYR  36  -3.014  -2.574   5.466
  300    HD2  TYR  36          2HD       TYR  36  -3.677  -1.416   9.551
  301    HE1  TYR  36          1HE       TYR  36  -4.898  -4.176   5.606
  302    HE2  TYR  36          2HE       TYR  36  -5.565  -3.019   9.693
  303    HH   TYR  36           HH       TYR  36  -7.219  -4.080   7.793
  304    H    GLU  37           H        GLU  37   0.514  -0.777   9.069
  305    HA   GLU  37           HA       GLU  37   1.793   1.455   7.924
  306    HB2  GLU  37          2HB       GLU  37   3.369   1.157   9.959
  307    HB3  GLU  37          1HB       GLU  37   1.667   1.530  10.245
  308    HG2  GLU  37          2HG       GLU  37   1.170  -0.812  10.683
  309    HG3  GLU  37          1HG       GLU  37   2.810  -1.281  10.245
  310    H    GLN  38           H        GLN  38   3.042  -1.816   8.599
  311    HA   GLN  38           HA       GLN  38   5.643  -1.389   7.651
  312    HB2  GLN  38          2HB       GLN  38   5.026  -3.330   8.966
  313    HB3  GLN  38          1HB       GLN  38   3.975  -3.902   7.675
  314    HG2  GLN  38          2HG       GLN  38   5.860  -4.182   6.183
  315    HG3  GLN  38          1HG       GLN  38   6.945  -3.442   7.358
  316   HE21  GLN  38          1HE2      GLN  38   5.356  -6.422   6.458
  317   HE22  GLN  38          2HE2      GLN  38   5.998  -7.362   7.717
  318    H    ILE  39           H        ILE  39   2.716  -2.440   5.956
  319    HA   ILE  39           HA       ILE  39   3.960  -2.990   3.487
  320    HB   ILE  39           HB       ILE  39   1.104  -2.173   4.116
  321   HG12  ILE  39          2HG1      ILE  39   2.191  -4.904   3.426
  322   HG13  ILE  39          1HG1      ILE  39   2.245  -4.321   5.082
  323   HG21  ILE  39          1HG2      ILE  39   1.660  -1.802   1.721
  324   HG22  ILE  39          2HG2      ILE  39   0.620  -3.210   1.902
  325   HG23  ILE  39          3HG2      ILE  39   2.351  -3.425   1.628
  326   HD11  ILE  39          1HD1      ILE  39   0.199  -5.599   4.769
  327   HD12  ILE  39          2HD1      ILE  39  -0.238  -4.620   3.373
  328   HD13  ILE  39          3HD1      ILE  39  -0.208  -3.904   4.976
  329    H    LYS  40           H        LYS  40   2.410   0.075   4.716
  330    HA   LYS  40           HA       LYS  40   2.963   1.348   2.209
  331    HB2  LYS  40          2HB       LYS  40   2.756   3.557   3.339
  332    HB3  LYS  40          1HB       LYS  40   1.316   2.513   3.452
  333    HG2  LYS  40          2HG       LYS  40   1.813   1.925   5.709
  334    HG3  LYS  40          1HG       LYS  40   3.421   2.654   5.622
  335    HD2  LYS  40          2HD       LYS  40   2.395   4.876   5.293
  336    HD3  LYS  40          1HD       LYS  40   0.790   4.152   5.374
  337    HE2  LYS  40          2HE       LYS  40   2.725   3.719   7.633
  338    HE3  LYS  40          1HE       LYS  40   1.831   5.234   7.532
  339    HZ1  LYS  40          1HZ       LYS  40   0.744   3.409   8.846
  340    HZ2  LYS  40          2HZ       LYS  40   0.509   2.587   7.378
  341    HZ3  LYS  40          3HZ       LYS  40  -0.213   4.105   7.631
  342    H    GLU  41           H        GLU  41   4.797   0.944   5.186
  343    HA   GLU  41           HA       GLU  41   6.806   2.799   4.751
  344    HB2  GLU  41          2HB       GLU  41   6.551   1.438   6.812
  345    HB3  GLU  41          1HB       GLU  41   7.103   0.023   5.918
  346    HG2  GLU  41          2HG       GLU  41   9.010   0.921   7.082
  347    HG3  GLU  41          1HG       GLU  41   9.220   1.291   5.375
  348    H    TRP  42           H        TRP  42   6.567  -0.608   3.646
  349    HA   TRP  42           HA       TRP  42   9.002  -0.668   2.228
  350    HB2  TRP  42          2HB       TRP  42   6.411  -2.107   1.654
  351    HB3  TRP  42          1HB       TRP  42   7.937  -2.472   0.866
  352    HD1  TRP  42           HD       TRP  42   9.696  -2.257   3.670
  353    HE1  TRP  42          1HE       TRP  42   9.518  -4.242   5.298
  354    HE3  TRP  42          3HE       TRP  42   5.329  -4.348   2.044
  355    HZ2  TRP  42          2HZ       TRP  42   7.763  -6.425   5.842
  356    HZ3  TRP  42          3HZ       TRP  42   4.423  -6.384   3.129
  357    HH2  TRP  42           HH       TRP  42   5.642  -7.423   5.028
  358    H    ILE  43           H        ILE  43   5.723   0.180   1.236
  359    HA   ILE  43           HA       ILE  43   6.306   0.553  -1.505
  360    HB   ILE  43           HB       ILE  43   4.111   1.692   0.229
  361   HG12  ILE  43          2HG1      ILE  43   3.962  -0.421  -1.925
  362   HG13  ILE  43          1HG1      ILE  43   4.257  -0.822  -0.236
  363   HG21  ILE  43          1HG2      ILE  43   4.299   3.219  -1.607
  364   HG22  ILE  43          2HG2      ILE  43   2.982   2.120  -2.014
  365   HG23  ILE  43          3HG2      ILE  43   4.570   1.909  -2.756
  366   HD11  ILE  43          1HD1      ILE  43   1.807  -0.886  -1.032
  367   HD12  ILE  43          2HD1      ILE  43   1.902   0.869  -1.083
  368   HD13  ILE  43          3HD1      ILE  43   2.141   0.021   0.440
  369    H    GLU  44           H        GLU  44   6.239   2.951   1.141
  370    HA   GLU  44           HA       GLU  44   6.779   5.078  -0.613
  371    HB2  GLU  44          2HB       GLU  44   7.024   6.485   1.322
  372    HB3  GLU  44          1HB       GLU  44   5.653   5.406   1.562
  373    HG2  GLU  44          2HG       GLU  44   6.535   4.658   3.491
  374    HG3  GLU  44          1HG       GLU  44   7.959   4.098   2.639
  375    H    ASN  45           H        ASN  45   8.905   2.891   1.230
  376    HA   ASN  45           HA       ASN  45  11.284   4.364   0.746
  377    HB2  ASN  45          2HB       ASN  45  11.181   2.528   2.370
  378    HB3  ASN  45          1HB       ASN  45  10.892   1.377   1.065
  379   HD21  ASN  45          1HD2      ASN  45  13.210   1.332   2.866
  380   HD22  ASN  45          2HD2      ASN  45  14.584   1.580   1.902
  381    H    ALA  46           H        ALA  46   9.590   1.847  -1.148
  382    HA   ALA  46           HA       ALA  46  11.546   1.651  -3.197
  383    HB1  ALA  46          1HB       ALA  46   9.878   0.471  -4.445
  384    HB2  ALA  46          2HB       ALA  46   8.581   1.184  -3.486
  385    HB3  ALA  46          3HB       ALA  46   9.682   0.022  -2.751
  386    H    LEU  47           H        LEU  47   8.637   3.631  -2.827
  387    HA   LEU  47           HA       LEU  47   8.574   4.848  -5.324
  388    HB2  LEU  47          2HB       LEU  47   6.971   4.949  -3.208
  389    HB3  LEU  47          1HB       LEU  47   7.906   6.390  -2.839
  390    HG   LEU  47           HG       LEU  47   6.021   7.145  -4.080
  391   HD11  LEU  47          1HD1      LEU  47   7.000   8.217  -5.953
  392   HD12  LEU  47          2HD1      LEU  47   8.158   6.912  -6.201
  393   HD13  LEU  47          3HD1      LEU  47   8.317   7.985  -4.807
  394   HD21  LEU  47          1HD2      LEU  47   6.617   5.306  -6.390
  395   HD22  LEU  47          2HD2      LEU  47   5.118   6.126  -5.982
  396   HD23  LEU  47          3HD2      LEU  47   5.639   4.737  -5.040
  397    H    GLY  48           H        GLY  48  10.318   5.852  -2.333
  398    HA2  GLY  48          2HA       GLY  48  11.368   8.253  -3.395
  399    HA3  GLY  48          1HA       GLY  48  12.027   7.358  -2.029
  400    H    TRP  49           H        TRP  49  12.592   4.935  -3.308
  401    HA   TRP  49           HA       TRP  49  14.268   5.492  -5.616
  402    HB2  TRP  49          2HB       TRP  49  16.301   4.498  -4.471
  403    HB3  TRP  49          1HB       TRP  49  15.858   6.127  -3.966
  404    HD1  TRP  49           HD       TRP  49  16.069   2.555  -2.737
  405    HE1  TRP  49          1HE       TRP  49  15.605   2.502  -0.198
  406    HE3  TRP  49          3HE       TRP  49  14.545   7.372  -2.028
  407    HZ2  TRP  49          2HZ       TRP  49  14.710   4.280   1.861
  408    HZ3  TRP  49          3HZ       TRP  49  13.899   8.171   0.226
  409    HH2  TRP  49           HH       TRP  49  13.979   6.633   2.170
  410    H    ARG  50           H        ARG  50  15.098   3.568  -6.623
  411    HA   ARG  50           HA       ARG  50  14.539   0.960  -5.613
  412    HB2  ARG  50          2HB       ARG  50  12.218   1.671  -6.119
  413    HB3  ARG  50          1HB       ARG  50  12.685   1.955  -7.796
  414    HG2  ARG  50          2HG       ARG  50  13.323  -0.404  -8.035
  415    HG3  ARG  50          1HG       ARG  50  12.906  -0.701  -6.348
  416    HD2  ARG  50          2HD       ARG  50  11.050  -1.411  -7.751
  417    HD3  ARG  50          1HD       ARG  50  10.565   0.015  -6.841
  418    HE   ARG  50           HE       ARG  50  10.528   1.239  -8.841
  419   HH11  ARG  50          1HH1      ARG  50  10.492   1.339 -11.111
  420   HH12  ARG  50          2HH1      ARG  50  11.047  -0.012 -12.040
  421   HH21  ARG  50          1HH2      ARG  50  11.832  -1.941  -9.269
  422   HH22  ARG  50          2HH2      ARG  50  11.802  -1.867 -10.999
  Start of MODEL   16
    1    H    FME   1           H        FME   1 -12.858  -4.426   1.297
    2    HCN  FME   1           HF       FME   1 -12.606  -4.516   3.613
    3    HA   FME   1           HA       FME   1 -10.035  -3.851   1.081
    4    HB2  FME   1          1HB       FME   1 -12.189  -3.674  -1.046
    5    HB3  FME   1          2HB       FME   1 -11.284  -5.138  -0.652
    6    HG2  FME   1          1HG       FME   1  -9.166  -3.869  -1.146
    7    HG3  FME   1          2HG       FME   1 -10.159  -2.526  -1.711
    8    HE1  FME   1          1HE       FME   1  -7.888  -4.615  -3.108
    9    HE2  FME   1          2HE       FME   1  -8.369  -3.057  -3.774
   10    HE3  FME   1          3HE       FME   1  -8.470  -4.503  -4.775
   11    H    ALA   2           H        ALA   2 -13.033  -2.021   0.973
   12    HA   ALA   2           HA       ALA   2 -11.986   0.394  -0.050
   13    HB1  ALA   2          1HB       ALA   2 -14.018   1.381   0.615
   14    HB2  ALA   2          2HB       ALA   2 -14.219   0.262   1.964
   15    HB3  ALA   2          3HB       ALA   2 -14.444  -0.304   0.308
   16    H    GLY   3           H        GLY   3 -12.237  -0.849   3.266
   17    HA2  GLY   3          2HA       GLY   3 -11.408   1.484   4.630
   18    HA3  GLY   3          1HA       GLY   3 -11.251  -0.166   5.233
   19    H    LEU   4           H        LEU   4  -9.619  -1.229   3.271
   20    HA   LEU   4           HA       LEU   4  -7.043  -0.564   4.165
   21    HB2  LEU   4          2HB       LEU   4  -7.791  -2.718   3.174
   22    HB3  LEU   4          1HB       LEU   4  -7.954  -1.935   1.625
   23    HG   LEU   4           HG       LEU   4  -5.810  -3.360   2.251
   24   HD11  LEU   4          1HD1      LEU   4  -5.871  -2.568   0.088
   25   HD12  LEU   4          2HD1      LEU   4  -4.485  -1.683   0.722
   26   HD13  LEU   4          3HD1      LEU   4  -6.055  -0.887   0.584
   27   HD21  LEU   4          1HD2      LEU   4  -3.952  -2.028   3.038
   28   HD22  LEU   4          2HD2      LEU   4  -5.247  -1.976   4.230
   29   HD23  LEU   4          3HD2      LEU   4  -4.974  -0.606   3.170
   30    H    LEU   5           H        LEU   5  -8.797   0.316   1.179
   31    HA   LEU   5           HA       LEU   5  -6.708   1.809  -0.003
   32    HB2  LEU   5          2HB       LEU   5  -9.705   1.956  -0.308
   33    HB3  LEU   5          1HB       LEU   5  -8.575   2.852  -1.318
   34    HG   LEU   5           HG       LEU   5  -8.544  -0.165  -1.005
   35   HD11  LEU   5          1HD1      LEU   5  -9.592   1.459  -3.345
   36   HD12  LEU   5          2HD1      LEU   5 -10.637   0.775  -2.100
   37   HD13  LEU   5          3HD1      LEU   5  -9.682  -0.289  -3.135
   38   HD21  LEU   5          1HD2      LEU   5  -7.289   0.298  -3.331
   39   HD22  LEU   5          2HD2      LEU   5  -6.427   0.327  -1.795
   40   HD23  LEU   5          3HD2      LEU   5  -6.932   1.839  -2.549
   41    H    ARG   6           H        ARG   6  -9.409   2.755   2.099
   42    HA   ARG   6           HA       ARG   6  -9.010   5.524   2.031
   43    HB2  ARG   6          2HB       ARG   6 -10.997   4.401   3.012
   44    HB3  ARG   6          1HB       ARG   6  -9.999   3.865   4.365
   45    HG2  ARG   6          2HG       ARG   6  -9.828   6.788   3.791
   46    HG3  ARG   6          1HG       ARG   6 -11.414   6.240   4.330
   47    HD2  ARG   6          2HD       ARG   6 -10.393   5.199   6.313
   48    HD3  ARG   6          1HD       ARG   6  -8.796   5.710   5.768
   49    HE   ARG   6           HE       ARG   6  -9.337   7.928   6.364
   50   HH11  ARG   6          1HH1      ARG   6 -10.585   9.379   7.597
   51   HH12  ARG   6          2HH1      ARG   6 -12.158   8.908   8.146
   52   HH21  ARG   6          1HH2      ARG   6 -12.021   5.770   6.682
   53   HH22  ARG   6          2HH2      ARG   6 -12.968   6.863   7.631
   54    H    PHE   7           H        PHE   7  -7.659   3.040   4.177
   55    HA   PHE   7           HA       PHE   7  -6.234   4.722   5.904
   56    HB2  PHE   7          2HB       PHE   7  -6.706   2.280   6.233
   57    HB3  PHE   7          1HB       PHE   7  -5.484   1.924   5.017
   58    HD1  PHE   7          1HD       PHE   7  -3.178   1.885   5.576
   59    HD2  PHE   7          2HD       PHE   7  -6.030   3.589   8.313
   60    HE1  PHE   7          1HE       PHE   7  -1.418   2.038   7.315
   61    HE2  PHE   7          2HE       PHE   7  -4.262   3.749  10.043
   62    HZ   PHE   7           HZ       PHE   7  -1.960   2.976   9.548
   63    H    LEU   8           H        LEU   8  -5.250   3.109   2.868
   64    HA   LEU   8           HA       LEU   8  -2.547   3.977   2.942
   65    HB2  LEU   8          2HB       LEU   8  -4.368   3.063   0.736
   66    HB3  LEU   8          1HB       LEU   8  -2.748   3.653   0.366
   67    HG   LEU   8           HG       LEU   8  -3.091   1.592   2.541
   68   HD11  LEU   8          1HD1      LEU   8  -4.325   0.655   0.660
   69   HD12  LEU   8          2HD1      LEU   8  -2.752  -0.141   0.743
   70   HD13  LEU   8          3HD1      LEU   8  -3.038   1.121  -0.453
   71   HD21  LEU   8          1HD2      LEU   8  -0.920   1.911   0.447
   72   HD22  LEU   8          2HD2      LEU   8  -0.835   1.005   1.957
   73   HD23  LEU   8          3HD2      LEU   8  -0.877   2.764   1.987
   74    H    LEU   9           H        LEU   9  -5.439   5.427   1.558
   75    HA   LEU   9           HA       LEU   9  -4.180   7.609   0.290
   76    HB2  LEU   9          2HB       LEU   9  -6.503   6.865  -0.105
   77    HB3  LEU   9          1HB       LEU   9  -6.949   7.485   1.479
   78    HG   LEU   9           HG       LEU   9  -6.180   9.745   0.794
   79   HD11  LEU   9          1HD1      LEU   9  -5.994   9.884  -1.866
   80   HD12  LEU   9          2HD1      LEU   9  -5.435   8.222  -1.678
   81   HD13  LEU   9          3HD1      LEU   9  -4.580   9.537  -0.871
   82   HD21  LEU   9          1HD2      LEU   9  -8.037  10.165  -0.837
   83   HD22  LEU   9          2HD2      LEU   9  -8.542   9.172   0.529
   84   HD23  LEU   9          3HD2      LEU   9  -8.215   8.420  -1.031
   85    H    SER  10           H        SER  10  -5.635   7.283   3.516
   86    HA   SER  10           HA       SER  10  -5.309   9.939   4.371
   87    HB2  SER  10          2HB       SER  10  -6.698   8.533   5.694
   88    HB3  SER  10          1HB       SER  10  -5.435   7.314   5.862
   89    HG   SER  10           HG       SER  10  -5.087   8.374   7.668
   90    H    LYS  11           H        LYS  11  -3.123   7.144   4.503
   91    HA   LYS  11           HA       LYS  11  -1.103   8.535   5.988
   92    HB2  LYS  11          2HB       LYS  11  -0.938   6.033   4.294
   93    HB3  LYS  11          1HB       LYS  11   0.356   6.632   5.326
   94    HG2  LYS  11          2HG       LYS  11  -2.418   5.934   6.346
   95    HG3  LYS  11          1HG       LYS  11  -1.046   4.830   6.391
   96    HD2  LYS  11          2HD       LYS  11   0.182   6.772   7.620
   97    HD3  LYS  11          1HD       LYS  11  -1.442   7.400   7.912
   98    HE2  LYS  11          2HE       LYS  11  -2.108   5.356   9.015
   99    HE3  LYS  11          1HE       LYS  11  -0.570   4.589   8.619
  100    HZ1  LYS  11          1HZ       LYS  11  -1.065   6.836  10.476
  101    HZ2  LYS  11          2HZ       LYS  11   0.488   6.464   9.898
  102    HZ3  LYS  11          3HZ       LYS  11  -0.374   5.326  10.819
  103    H    GLY  12           H        GLY  12  -1.510   7.871   2.521
  104    HA2  GLY  12          2HA       GLY  12  -0.040  10.225   1.815
  105    HA3  GLY  12          1HA       GLY  12   0.903   8.767   1.532
  106    H    ARG  13           H        ARG  13  -0.148  10.712  -0.408
  107    HA   ARG  13           HA       ARG  13  -2.331   9.485  -1.823
  108    HB2  ARG  13          2HB       ARG  13  -0.364  11.660  -2.561
  109    HB3  ARG  13          1HB       ARG  13  -1.636  11.092  -3.644
  110    HG2  ARG  13          2HG       ARG  13  -3.345  11.680  -2.002
  111    HG3  ARG  13          1HG       ARG  13  -2.103  12.180  -0.856
  112    HD2  ARG  13          2HD       ARG  13  -1.373  13.954  -2.416
  113    HD3  ARG  13          1HD       ARG  13  -2.607  13.448  -3.568
  114    HE   ARG  13           HE       ARG  13  -3.908  13.966  -1.149
  115   HH11  ARG  13          1HH1      ARG  13  -4.977  15.939  -0.851
  116   HH12  ARG  13          2HH1      ARG  13  -4.510  17.326  -1.776
  117   HH21  ARG  13          1HH2      ARG  13  -2.011  15.647  -3.521
  118   HH22  ARG  13          2HH2      ARG  13  -2.816  17.164  -3.290
  119    H    ALA  14           H        ALA  14   1.149   9.484  -1.906
  120    HA   ALA  14           HA       ALA  14   1.546   8.231  -4.382
  121    HB1  ALA  14          1HB       ALA  14   3.146   8.608  -1.885
  122    HB2  ALA  14          2HB       ALA  14   3.505   9.142  -3.524
  123    HB3  ALA  14          3HB       ALA  14   3.731   7.450  -3.085
  124    H    LEU  15           H        LEU  15   1.056   6.984  -1.116
  125    HA   LEU  15           HA       LEU  15   1.546   4.263  -1.615
  126    HB2  LEU  15          2HB       LEU  15  -0.454   5.395   0.348
  127    HB3  LEU  15          1HB       LEU  15   0.389   3.858   0.448
  128    HG   LEU  15           HG       LEU  15   1.788   6.540   0.453
  129   HD11  LEU  15          1HD1      LEU  15   2.171   5.909   2.926
  130   HD12  LEU  15          2HD1      LEU  15   0.833   4.778   2.715
  131   HD13  LEU  15          3HD1      LEU  15   0.565   6.501   2.500
  132   HD21  LEU  15          1HD2      LEU  15   3.577   4.967   1.520
  133   HD22  LEU  15          2HD2      LEU  15   3.353   4.927  -0.226
  134   HD23  LEU  15          3HD2      LEU  15   2.640   3.669   0.780
  135    H    TYR  16           H        TYR  16  -1.426   6.192  -1.773
  136    HA   TYR  16           HA       TYR  16  -3.233   4.103  -2.392
  137    HB2  TYR  16          2HB       TYR  16  -4.013   6.323  -1.676
  138    HB3  TYR  16          1HB       TYR  16  -3.333   7.044  -3.131
  139    HD1  TYR  16          1HD       TYR  16  -4.530   7.054  -5.182
  140    HD2  TYR  16          2HD       TYR  16  -5.891   4.597  -1.924
  141    HE1  TYR  16          1HE       TYR  16  -6.614   6.548  -6.429
  142    HE2  TYR  16          2HE       TYR  16  -7.975   4.103  -3.169
  143    HH   TYR  16           HH       TYR  16  -8.928   5.824  -5.913
  144    H    ASN  17           H        ASN  17  -1.350   6.297  -4.447
  145    HA   ASN  17           HA       ASN  17  -2.356   5.416  -6.924
  146    HB2  ASN  17          2HB       ASN  17   0.264   6.678  -6.124
  147    HB3  ASN  17          1HB       ASN  17  -0.075   6.231  -7.793
  148   HD21  ASN  17          1HD2      ASN  17   0.288   8.983  -7.017
  149   HD22  ASN  17          2HD2      ASN  17  -1.189   9.786  -7.251
  150    H    TRP  18           H        TRP  18   0.435   4.301  -5.018
  151    HA   TRP  18           HA       TRP  18   1.408   2.411  -6.845
  152    HB2  TRP  18          2HB       TRP  18   2.785   2.988  -5.002
  153    HB3  TRP  18          1HB       TRP  18   1.518   2.610  -3.840
  154    HD1  TRP  18           HD       TRP  18   1.090   0.090  -3.237
  155    HE1  TRP  18          1HE       TRP  18   2.480  -2.055  -3.600
  156    HE3  TRP  18          3HE       TRP  18   4.505   1.804  -6.643
  157    HZ2  TRP  18          2HZ       TRP  18   4.733  -2.919  -5.129
  158    HZ3  TRP  18          3HZ       TRP  18   6.262   0.296  -7.525
  159    HH2  TRP  18           HH       TRP  18   6.381  -2.059  -6.773
  160    H    ALA  19           H        ALA  19  -0.993   2.076  -4.227
  161    HA   ALA  19           HA       ALA  19  -1.411  -0.690  -4.506
  162    HB1  ALA  19          1HB       ALA  19  -3.728  -0.066  -3.495
  163    HB2  ALA  19          2HB       ALA  19  -3.067   1.567  -3.405
  164    HB3  ALA  19          3HB       ALA  19  -2.280   0.250  -2.538
  165    H    LYS  20           H        LYS  20  -3.007   2.079  -6.049
  166    HA   LYS  20           HA       LYS  20  -4.956   0.600  -7.456
  167    HB2  LYS  20          2HB       LYS  20  -5.002   3.050  -7.141
  168    HB3  LYS  20          1HB       LYS  20  -3.642   3.203  -8.256
  169    HG2  LYS  20          2HG       LYS  20  -4.966   2.172 -10.046
  170    HG3  LYS  20          1HG       LYS  20  -6.312   1.937  -8.932
  171    HD2  LYS  20          2HD       LYS  20  -6.469   4.387  -8.615
  172    HD3  LYS  20          1HD       LYS  20  -5.149   4.611  -9.763
  173    HE2  LYS  20          2HE       LYS  20  -7.786   3.254 -10.393
  174    HE3  LYS  20          1HE       LYS  20  -7.369   4.909 -10.834
  175    HZ1  LYS  20          1HZ       LYS  20  -6.357   2.385 -11.909
  176    HZ2  LYS  20          2HZ       LYS  20  -5.289   3.704 -11.846
  177    HZ3  LYS  20          3HZ       LYS  20  -6.746   3.828 -12.711
  178    H    SER  21           H        SER  21  -1.684   1.649  -8.371
  179    HA   SER  21           HA       SER  21  -1.721   0.748 -11.030
  180    HB2  SER  21          2HB       SER  21   0.624   0.957  -9.124
  181    HB3  SER  21          1HB       SER  21   0.739   0.800 -10.876
  182    HG   SER  21           HG       SER  21  -0.981   2.759 -10.223
  183    H    HIS  22           H        HIS  22  -0.758  -0.890  -8.033
  184    HA   HIS  22           HA       HIS  22  -0.903  -3.466  -9.499
  185    HB2  HIS  22          2HB       HIS  22   1.170  -2.541  -7.511
  186    HB3  HIS  22          1HB       HIS  22   0.915  -4.244  -7.910
  187    HD1  HIS  22          1HD       HIS  22   1.881  -0.961  -9.517
  188    HD2  HIS  22          2HD       HIS  22   1.936  -5.033 -10.418
  189    HE1  HIS  22          1HE       HIS  22   3.227  -1.205 -11.647
  190    HE2  HIS  22          2HE       HIS  22   3.267  -3.677 -12.212
  191    H    VAL  23           H        VAL  23  -3.026  -3.760  -8.713
  192    HA   VAL  23           HA       VAL  23  -3.655  -3.673  -5.929
  193    HB   VAL  23           HB       VAL  23  -5.691  -4.943  -6.635
  194   HG11  VAL  23          1HG1      VAL  23  -5.636  -2.498  -6.731
  195   HG12  VAL  23          2HG1      VAL  23  -6.573  -3.145  -8.078
  196   HG13  VAL  23          3HG1      VAL  23  -4.929  -2.560  -8.344
  197   HG21  VAL  23          1HG2      VAL  23  -5.998  -5.314  -9.071
  198   HG22  VAL  23          2HG2      VAL  23  -4.663  -6.272  -8.430
  199   HG23  VAL  23          3HG2      VAL  23  -4.331  -4.806  -9.348
  200    H    GLY  24           H        GLY  24  -2.290  -6.031  -8.069
  201    HA2  GLY  24          2HA       GLY  24  -2.794  -8.370  -6.591
  202    HA3  GLY  24          1HA       GLY  24  -1.445  -8.128  -7.698
  203    H    LYS  25           H        LYS  25  -0.021  -6.106  -6.470
  204    HA   LYS  25           HA       LYS  25   1.423  -7.512  -4.507
  205    HB2  LYS  25          2HB       LYS  25   1.382  -4.570  -5.194
  206    HB3  LYS  25          1HB       LYS  25   2.573  -5.338  -4.178
  207    HG2  LYS  25          2HG       LYS  25   2.057  -6.238  -6.992
  208    HG3  LYS  25          1HG       LYS  25   3.294  -5.056  -6.568
  209    HD2  LYS  25          2HD       LYS  25   4.134  -6.859  -4.881
  210    HD3  LYS  25          1HD       LYS  25   3.169  -7.983  -5.837
  211    HE2  LYS  25          2HE       LYS  25   4.364  -7.337  -7.869
  212    HE3  LYS  25          1HE       LYS  25   5.339  -6.191  -6.948
  213    HZ1  LYS  25          1HZ       LYS  25   6.271  -7.985  -5.683
  214    HZ2  LYS  25          2HZ       LYS  25   6.443  -8.362  -7.332
  215    HZ3  LYS  25          3HZ       LYS  25   5.232  -9.113  -6.404
  216    H    VAL  26           H        VAL  26  -1.178  -5.166  -4.226
  217    HA   VAL  26           HA       VAL  26  -0.969  -4.747  -1.410
  218    HB   VAL  26           HB       VAL  26  -3.300  -4.491  -3.321
  219   HG11  VAL  26          1HG1      VAL  26  -4.227  -3.042  -1.445
  220   HG12  VAL  26          2HG1      VAL  26  -2.995  -3.751  -0.403
  221   HG13  VAL  26          3HG1      VAL  26  -4.235  -4.777  -1.126
  222   HG21  VAL  26          1HG2      VAL  26  -1.269  -2.997  -3.587
  223   HG22  VAL  26          2HG2      VAL  26  -1.615  -2.376  -1.974
  224   HG23  VAL  26          3HG2      VAL  26  -2.784  -2.149  -3.274
  225    H    TRP  27           H        TRP  27  -2.876  -6.941  -3.425
  226    HA   TRP  27           HA       TRP  27  -4.277  -8.198  -1.331
  227    HB2  TRP  27          2HB       TRP  27  -3.705  -8.856  -4.197
  228    HB3  TRP  27          1HB       TRP  27  -4.153 -10.211  -3.163
  229    HD1  TRP  27           HD       TRP  27  -6.316  -9.211  -1.364
  230    HE1  TRP  27          1HE       TRP  27  -8.575  -8.342  -2.236
  231    HE3  TRP  27          3HE       TRP  27  -5.001  -8.000  -6.137
  232    HZ2  TRP  27          2HZ       TRP  27  -9.687  -7.274  -4.651
  233    HZ3  TRP  27          3HZ       TRP  27  -6.675  -7.067  -7.702
  234    HH2  TRP  27           HH       TRP  27  -9.013  -6.701  -6.974
  235    H    GLU  28           H        GLU  28  -1.199  -8.881  -2.870
  236    HA   GLU  28           HA       GLU  28  -0.479 -11.274  -1.720
  237    HB2  GLU  28          2HB       GLU  28   0.916 -10.397  -3.435
  238    HB3  GLU  28          1HB       GLU  28   1.169  -8.879  -2.592
  239    HG2  GLU  28          2HG       GLU  28   3.162 -10.295  -2.469
  240    HG3  GLU  28          1HG       GLU  28   2.495 -10.058  -0.866
  241    H    TRP  29           H        TRP  29   0.213  -7.940  -0.357
  242    HA   TRP  29           HA       TRP  29   1.315  -9.227   2.014
  243    HB2  TRP  29          2HB       TRP  29   0.481  -6.374   1.556
  244    HB3  TRP  29          1HB       TRP  29   1.280  -6.958   3.024
  245    HD1  TRP  29           HD       TRP  29   3.645  -8.498   2.410
  246    HE1  TRP  29          1HE       TRP  29   5.463  -7.906   0.685
  247    HE3  TRP  29          3HE       TRP  29   1.081  -5.158  -0.391
  248    HZ2  TRP  29          2HZ       TRP  29   5.768  -6.225  -1.610
  249    HZ3  TRP  29          3HZ       TRP  29   2.102  -4.113  -2.333
  250    HH2  TRP  29           HH       TRP  29   4.455  -4.625  -2.965
  251    H    LEU  30           H        LEU  30  -1.887  -8.034   1.163
  252    HA   LEU  30           HA       LEU  30  -2.986  -7.978   3.755
  253    HB2  LEU  30          2HB       LEU  30  -4.169  -8.487   1.028
  254    HB3  LEU  30          1HB       LEU  30  -5.162  -8.577   2.481
  255    HG   LEU  30           HG       LEU  30  -3.470  -6.180   1.718
  256   HD11  LEU  30          1HD1      LEU  30  -5.421  -5.136   0.870
  257   HD12  LEU  30          2HD1      LEU  30  -6.486  -6.354   1.571
  258   HD13  LEU  30          3HD1      LEU  30  -5.468  -6.764   0.190
  259   HD21  LEU  30          1HD2      LEU  30  -5.206  -6.895   4.042
  260   HD22  LEU  30          2HD2      LEU  30  -5.347  -5.247   3.441
  261   HD23  LEU  30          3HD2      LEU  30  -3.785  -5.851   3.973
  262    H    LYS  31           H        LYS  31  -2.681 -10.607   1.408
  263    HA   LYS  31           HA       LYS  31  -3.976 -12.588   2.966
  264    HB2  LYS  31          2HB       LYS  31  -3.605 -12.805   0.522
  265    HB3  LYS  31          1HB       LYS  31  -1.870 -12.952   0.812
  266    HG2  LYS  31          2HG       LYS  31  -2.260 -14.957   2.182
  267    HG3  LYS  31          1HG       LYS  31  -3.999 -14.794   1.928
  268    HD2  LYS  31          2HD       LYS  31  -3.666 -15.041  -0.503
  269    HD3  LYS  31          1HD       LYS  31  -1.931 -15.227  -0.237
  270    HE2  LYS  31          2HE       LYS  31  -2.325 -17.225   1.128
  271    HE3  LYS  31          1HE       LYS  31  -4.066 -17.038   0.932
  272    HZ1  LYS  31          1HZ       LYS  31  -3.872 -18.271  -0.883
  273    HZ2  LYS  31          2HZ       LYS  31  -2.175 -18.226  -0.829
  274    HZ3  LYS  31          3HZ       LYS  31  -3.037 -16.989  -1.615
  275    H    SER  32           H        SER  32  -0.587 -11.648   2.546
  276    HA   SER  32           HA       SER  32   0.572 -13.646   4.162
  277    HB2  SER  32          2HB       SER  32   1.860 -12.124   2.678
  278    HB3  SER  32          1HB       SER  32   1.522 -10.799   3.784
  279    HG   SER  32           HG       SER  32   3.571 -12.110   4.000
  280    H    GLY  33           H        GLY  33  -1.271 -10.849   5.014
  281    HA2  GLY  33          2HA       GLY  33  -2.242 -10.417   7.110
  282    HA3  GLY  33          1HA       GLY  33  -1.111 -11.542   7.852
  283    H    ALA  34           H        ALA  34   0.358  -9.326   5.712
  284    HA   ALA  34           HA       ALA  34   1.880  -8.157   7.800
  285    HB1  ALA  34          1HB       ALA  34   3.128  -7.256   6.122
  286    HB2  ALA  34          2HB       ALA  34   1.717  -6.653   5.250
  287    HB3  ALA  34          3HB       ALA  34   2.186  -8.342   5.105
  288    H    THR  35           H        THR  35   1.875  -5.956   8.543
  289    HA   THR  35           HA       THR  35  -0.775  -4.929   8.961
  290    HB   THR  35           HB       THR  35   0.220  -3.443  10.492
  291    HG1  THR  35          1HG       THR  35   2.811  -3.703   9.977
  292   HG21  THR  35          1HG2      THR  35   1.739  -4.831  11.781
  293   HG22  THR  35          2HG2      THR  35   2.163  -5.764  10.345
  294   HG23  THR  35          3HG2      THR  35   0.544  -5.889  11.029
  295    H    TYR  36           H        TYR  36  -1.539  -2.859   8.397
  296    HA   TYR  36           HA       TYR  36  -1.160  -2.097   5.718
  297    HB2  TYR  36          2HB       TYR  36  -2.180  -0.340   7.946
  298    HB3  TYR  36          1HB       TYR  36  -2.576  -0.235   6.227
  299    HD1  TYR  36          1HD       TYR  36  -3.318  -2.699   5.257
  300    HD2  TYR  36          2HD       TYR  36  -3.908  -1.287   9.279
  301    HE1  TYR  36          1HE       TYR  36  -5.158  -4.337   5.563
  302    HE2  TYR  36          2HE       TYR  36  -5.759  -2.926   9.583
  303    HH   TYR  36           HH       TYR  36  -6.988  -4.487   8.656
  304    H    GLU  37           H        GLU  37   0.212  -0.961   8.710
  305    HA   GLU  37           HA       GLU  37   1.538   1.332   7.718
  306    HB2  GLU  37          2HB       GLU  37   2.056  -0.412  10.116
  307    HB3  GLU  37          1HB       GLU  37   2.954   1.066   9.788
  308    HG2  GLU  37          2HG       GLU  37   0.883   2.372   9.851
  309    HG3  GLU  37          1HG       GLU  37  -0.058   0.898  10.077
  310    H    GLN  38           H        GLN  38   2.706  -1.974   8.310
  311    HA   GLN  38           HA       GLN  38   5.345  -1.584   7.414
  312    HB2  GLN  38          2HB       GLN  38   4.647  -3.556   8.660
  313    HB3  GLN  38          1HB       GLN  38   3.640  -4.079   7.313
  314    HG2  GLN  38          2HG       GLN  38   5.593  -4.272   5.875
  315    HG3  GLN  38          1HG       GLN  38   6.635  -3.634   7.148
  316   HE21  GLN  38          1HE2      GLN  38   7.737  -5.261   8.232
  317   HE22  GLN  38          2HE2      GLN  38   7.144  -6.831   8.496
  318    H    ILE  39           H        ILE  39   2.361  -2.447   5.679
  319    HA   ILE  39           HA       ILE  39   3.507  -2.964   3.155
  320    HB   ILE  39           HB       ILE  39   0.761  -1.992   3.942
  321   HG12  ILE  39          2HG1      ILE  39   1.674  -4.695   2.920
  322   HG13  ILE  39          1HG1      ILE  39   1.622  -4.311   4.641
  323   HG21  ILE  39          1HG2      ILE  39   0.204  -2.880   1.596
  324   HG22  ILE  39          2HG2      ILE  39   1.933  -2.784   1.273
  325   HG23  ILE  39          3HG2      ILE  39   1.030  -1.325   1.669
  326   HD11  ILE  39          1HD1      ILE  39  -0.716  -4.035   4.624
  327   HD12  ILE  39          2HD1      ILE  39  -0.469  -5.439   3.593
  328   HD13  ILE  39          3HD1      ILE  39  -0.779  -3.860   2.873
  329    H    LYS  40           H        LYS  40   2.177   0.188   4.471
  330    HA   LYS  40           HA       LYS  40   2.842   1.498   2.025
  331    HB2  LYS  40          2HB       LYS  40   2.763   3.664   3.201
  332    HB3  LYS  40          1HB       LYS  40   1.290   2.679   3.451
  333    HG2  LYS  40          2HG       LYS  40   1.988   2.037   5.626
  334    HG3  LYS  40          1HG       LYS  40   3.602   2.706   5.391
  335    HD2  LYS  40          2HD       LYS  40   2.644   4.957   5.158
  336    HD3  LYS  40          1HD       LYS  40   1.029   4.307   5.418
  337    HE2  LYS  40          2HE       LYS  40   1.987   5.300   7.486
  338    HE3  LYS  40          1HE       LYS  40   1.668   3.588   7.680
  339    HZ1  LYS  40          1HZ       LYS  40   4.316   4.589   6.821
  340    HZ2  LYS  40          2HZ       LYS  40   3.919   3.066   7.465
  341    HZ3  LYS  40          3HZ       LYS  40   3.909   4.439   8.462
  342    H    GLU  41           H        GLU  41   4.605   0.840   5.008
  343    HA   GLU  41           HA       GLU  41   6.744   2.563   4.660
  344    HB2  GLU  41          2HB       GLU  41   6.367   1.220   6.672
  345    HB3  GLU  41          1HB       GLU  41   6.839  -0.220   5.764
  346    HG2  GLU  41          2HG       GLU  41   9.066   0.750   5.330
  347    HG3  GLU  41          1HG       GLU  41   8.603   2.222   6.181
  348    H    TRP  42           H        TRP  42   6.387  -0.822   3.504
  349    HA   TRP  42           HA       TRP  42   8.887  -0.838   2.159
  350    HB2  TRP  42          2HB       TRP  42   6.375  -2.420   1.572
  351    HB3  TRP  42          1HB       TRP  42   7.935  -2.698   0.808
  352    HD1  TRP  42           HD       TRP  42   9.800  -2.440   3.429
  353    HE1  TRP  42          1HE       TRP  42   9.744  -4.330   5.154
  354    HE3  TRP  42          3HE       TRP  42   5.262  -4.537   2.321
  355    HZ2  TRP  42          2HZ       TRP  42   8.052  -6.449   5.961
  356    HZ3  TRP  42          3HZ       TRP  42   4.462  -6.501   3.605
  357    HH2  TRP  42           HH       TRP  42   5.852  -7.459   5.426
  358    H    ILE  43           H        ILE  43   5.636   0.090   1.121
  359    HA   ILE  43           HA       ILE  43   6.249   0.448  -1.625
  360    HB   ILE  43           HB       ILE  43   4.153   1.690   0.168
  361   HG12  ILE  43          2HG1      ILE  43   3.925  -0.388  -2.018
  362   HG13  ILE  43          1HG1      ILE  43   4.128  -0.789  -0.312
  363   HG21  ILE  43          1HG2      ILE  43   4.577   1.913  -2.811
  364   HG22  ILE  43          2HG2      ILE  43   4.407   3.227  -1.649
  365   HG23  ILE  43          3HG2      ILE  43   3.015   2.216  -2.050
  366   HD11  ILE  43          1HD1      ILE  43   2.037   0.182   0.276
  367   HD12  ILE  43          2HD1      ILE  43   1.709  -0.724  -1.196
  368   HD13  ILE  43          3HD1      ILE  43   1.902   1.029  -1.260
  369    H    GLU  44           H        GLU  44   6.296   2.810   1.052
  370    HA   GLU  44           HA       GLU  44   7.018   4.915  -0.659
  371    HB2  GLU  44          2HB       GLU  44   7.302   6.277   1.290
  372    HB3  GLU  44          1HB       GLU  44   5.830   5.295   1.475
  373    HG2  GLU  44          2HG       GLU  44   6.611   4.396   3.383
  374    HG3  GLU  44          1HG       GLU  44   8.100   3.879   2.612
  375    H    ASN  45           H        ASN  45   8.930   2.622   1.234
  376    HA   ASN  45           HA       ASN  45  11.420   3.922   0.885
  377    HB2  ASN  45          2HB       ASN  45  11.109   2.082   2.493
  378    HB3  ASN  45          1HB       ASN  45  10.793   0.974   1.164
  379   HD21  ASN  45          1HD2      ASN  45  12.901   0.281   2.833
  380   HD22  ASN  45          2HD2      ASN  45  14.390   0.561   2.066
  381    H    ALA  46           H        ALA  46   9.685   1.498  -1.105
  382    HA   ALA  46           HA       ALA  46  11.740   1.122  -3.012
  383    HB1  ALA  46          1HB       ALA  46   8.735   0.876  -3.364
  384    HB2  ALA  46          2HB       ALA  46   9.802  -0.407  -2.789
  385    HB3  ALA  46          3HB       ALA  46   9.955   0.200  -4.439
  386    H    LEU  47           H        LEU  47   8.987   3.369  -2.803
  387    HA   LEU  47           HA       LEU  47   9.270   4.585  -5.309
  388    HB2  LEU  47          2HB       LEU  47   7.811   5.004  -2.831
  389    HB3  LEU  47          1HB       LEU  47   8.344   6.541  -3.466
  390    HG   LEU  47           HG       LEU  47   7.353   5.819  -5.712
  391   HD11  LEU  47          1HD1      LEU  47   5.701   4.001  -5.628
  392   HD12  LEU  47          2HD1      LEU  47   6.092   3.717  -3.933
  393   HD13  LEU  47          3HD1      LEU  47   7.298   3.400  -5.180
  394   HD21  LEU  47          1HD2      LEU  47   5.738   6.304  -3.213
  395   HD22  LEU  47          2HD2      LEU  47   4.919   6.058  -4.756
  396   HD23  LEU  47          3HD2      LEU  47   6.048   7.399  -4.559
  397    H    GLY  48           H        GLY  48  10.735   5.457  -2.153
  398    HA2  GLY  48          2HA       GLY  48  12.111   7.739  -3.065
  399    HA3  GLY  48          1HA       GLY  48  12.556   6.779  -1.658
  400    H    TRP  49           H        TRP  49  13.068   4.316  -2.947
  401    HA   TRP  49           HA       TRP  49  15.748   4.633  -3.761
  402    HB2  TRP  49          2HB       TRP  49  15.065   2.525  -2.863
  403    HB3  TRP  49          1HB       TRP  49  13.803   2.341  -4.079
  404    HD1  TRP  49           HD       TRP  49  14.423   1.012  -6.147
  405    HE1  TRP  49          1HE       TRP  49  16.613   0.176  -7.223
  406    HE3  TRP  49          3HE       TRP  49  17.811   3.325  -3.118
  407    HZ2  TRP  49          2HZ       TRP  49  19.436   0.456  -6.833
  408    HZ3  TRP  49          3HZ       TRP  49  20.240   3.030  -3.487
  409    HH2  TRP  49           HH       TRP  49  21.058   1.600  -5.340
  410    H    ARG  50           H        ARG  50  12.760   4.249  -5.606
  411    HA   ARG  50           HA       ARG  50  14.075   5.365  -7.964
  412    HB2  ARG  50          2HB       ARG  50  13.270   3.604  -9.448
  413    HB3  ARG  50          1HB       ARG  50  14.364   2.936  -8.236
  414    HG2  ARG  50          2HG       ARG  50  12.409   2.227  -6.884
  415    HG3  ARG  50          1HG       ARG  50  11.333   2.872  -8.124
  416    HD2  ARG  50          2HD       ARG  50  12.316   1.328  -9.775
  417    HD3  ARG  50          1HD       ARG  50  13.379   0.680  -8.530
  418    HE   ARG  50           HE       ARG  50  10.743   0.475  -7.594
  419   HH11  ARG  50          1HH1      ARG  50   9.656  -1.525  -7.759
  420   HH12  ARG  50          2HH1      ARG  50  10.191  -2.698  -8.915
  421   HH21  ARG  50          1HH2      ARG  50  12.778  -0.715 -10.115
  422   HH22  ARG  50          2HH2      ARG  50  11.964  -2.237 -10.252
  Start of MODEL   17
    1    H    FME   1           H        FME   1 -11.679  -5.140   1.629
    2    HCN  FME   1           HF       FME   1 -10.897  -4.856   3.814
    3    HA   FME   1           HA       FME   1  -9.201  -4.151   0.621
    4    HB2  FME   1          1HB       FME   1 -11.856  -4.153  -0.825
    5    HB3  FME   1          2HB       FME   1 -10.851  -5.592  -0.651
    6    HG2  FME   1          1HG       FME   1  -9.661  -3.043  -1.719
    7    HG3  FME   1          2HG       FME   1 -10.573  -4.110  -2.787
    8    HE1  FME   1          1HE       FME   1  -8.576  -4.944  -4.410
    9    HE2  FME   1          2HE       FME   1  -6.938  -4.854  -3.770
   10    HE3  FME   1          3HE       FME   1  -8.004  -3.459  -3.635
   11    H    ALA   2           H        ALA   2 -12.463  -2.680   0.811
   12    HA   ALA   2           HA       ALA   2 -11.672  -0.134  -0.125
   13    HB1  ALA   2          1HB       ALA   2 -13.776   0.664   0.903
   14    HB2  ALA   2          2HB       ALA   2 -13.961  -0.901   1.696
   15    HB3  ALA   2          3HB       ALA   2 -14.013  -0.791  -0.063
   16    H    GLY   3           H        GLY   3 -11.873  -1.484   3.147
   17    HA2  GLY   3          2HA       GLY   3 -11.330   0.887   4.576
   18    HA3  GLY   3          1HA       GLY   3 -11.010  -0.748   5.154
   19    H    LEU   4           H        LEU   4  -9.197  -1.572   3.153
   20    HA   LEU   4           HA       LEU   4  -6.713  -0.648   4.144
   21    HB2  LEU   4          2HB       LEU   4  -6.959  -2.855   3.142
   22    HB3  LEU   4          1HB       LEU   4  -7.425  -2.150   1.601
   23    HG   LEU   4           HG       LEU   4  -5.020  -2.965   1.776
   24   HD11  LEU   4          1HD1      LEU   4  -6.038  -0.870   0.344
   25   HD12  LEU   4          2HD1      LEU   4  -4.402  -1.479   0.175
   26   HD13  LEU   4          3HD1      LEU   4  -4.720  -0.085   1.198
   27   HD21  LEU   4          1HD2      LEU   4  -3.448  -1.831   3.113
   28   HD22  LEU   4          2HD2      LEU   4  -4.864  -1.979   4.157
   29   HD23  LEU   4          3HD2      LEU   4  -4.517  -0.444   3.354
   30    H    LEU   5           H        LEU   5  -8.458   0.048   1.147
   31    HA   LEU   5           HA       LEU   5  -6.537   1.739  -0.038
   32    HB2  LEU   5          2HB       LEU   5  -9.551   1.631  -0.294
   33    HB3  LEU   5          1HB       LEU   5  -8.516   2.612  -1.330
   34    HG   LEU   5           HG       LEU   5  -8.230  -0.393  -1.000
   35   HD11  LEU   5          1HD1      LEU   5 -10.389   0.251  -2.076
   36   HD12  LEU   5          2HD1      LEU   5  -9.302  -0.593  -3.179
   37   HD13  LEU   5          3HD1      LEU   5  -9.479   1.157  -3.285
   38   HD21  LEU   5          1HD2      LEU   5  -6.164   0.315  -1.794
   39   HD22  LEU   5          2HD2      LEU   5  -6.844   1.718  -2.616
   40   HD23  LEU   5          3HD2      LEU   5  -7.026   0.111  -3.319
   41    H    ARG   6           H        ARG   6  -9.317   2.416   2.069
   42    HA   ARG   6           HA       ARG   6  -9.157   5.219   2.038
   43    HB2  ARG   6          2HB       ARG   6 -11.031   3.865   3.039
   44    HB3  ARG   6          1HB       ARG   6  -9.961   3.495   4.393
   45    HG2  ARG   6          2HG       ARG   6  -9.691   6.192   4.377
   46    HG3  ARG   6          1HG       ARG   6 -11.306   6.068   3.677
   47    HD2  ARG   6          2HD       ARG   6 -10.450   4.755   6.270
   48    HD3  ARG   6          1HD       ARG   6 -11.347   6.268   6.158
   49    HE   ARG   6           HE       ARG   6 -12.767   4.379   4.678
   50   HH11  ARG   6          1HH1      ARG   6 -14.545   3.296   5.610
   51   HH12  ARG   6          2HH1      ARG   6 -14.660   3.170   7.335
   52   HH21  ARG   6          1HH2      ARG   6 -11.686   4.867   7.912
   53   HH22  ARG   6          2HH2      ARG   6 -13.036   4.067   8.641
   54    H    PHE   7           H        PHE   7  -7.646   2.822   4.187
   55    HA   PHE   7           HA       PHE   7  -6.389   4.603   5.928
   56    HB2  PHE   7          2HB       PHE   7  -6.601   2.176   6.320
   57    HB3  PHE   7          1HB       PHE   7  -5.448   1.871   5.029
   58    HD1  PHE   7          1HD       PHE   7  -3.101   2.124   5.371
   59    HD2  PHE   7          2HD       PHE   7  -5.879   3.418   8.375
   60    HE1  PHE   7          1HE       PHE   7  -1.236   2.375   6.985
   61    HE2  PHE   7          2HE       PHE   7  -4.018   3.675   9.990
   62    HZ   PHE   7           HZ       PHE   7  -1.695   3.148   9.297
   63    H    LEU   8           H        LEU   8  -5.218   3.118   2.915
   64    HA   LEU   8           HA       LEU   8  -2.642   4.236   3.060
   65    HB2  LEU   8          2HB       LEU   8  -4.307   3.149   0.812
   66    HB3  LEU   8          1HB       LEU   8  -2.767   3.935   0.465
   67    HG   LEU   8           HG       LEU   8  -3.091   1.652   2.432
   68   HD11  LEU   8          1HD1      LEU   8  -2.478   0.141   0.758
   69   HD12  LEU   8          2HD1      LEU   8  -1.738   1.394  -0.236
   70   HD13  LEU   8          3HD1      LEU   8  -3.490   1.260  -0.158
   71   HD21  LEU   8          1HD2      LEU   8  -0.998   2.264   3.081
   72   HD22  LEU   8          2HD2      LEU   8  -0.898   3.503   1.829
   73   HD23  LEU   8          3HD2      LEU   8  -0.413   1.851   1.469
   74    H    LEU   9           H        LEU   9  -5.636   5.412   1.581
   75    HA   LEU   9           HA       LEU   9  -4.535   7.712   0.368
   76    HB2  LEU   9          2HB       LEU   9  -6.899   6.596   0.148
   77    HB3  LEU   9          1HB       LEU   9  -7.324   7.676   1.475
   78    HG   LEU   9           HG       LEU   9  -6.045   8.582  -1.120
   79   HD11  LEU   9          1HD1      LEU   9  -8.937   8.604  -0.210
   80   HD12  LEU   9          2HD1      LEU   9  -8.266   7.730  -1.587
   81   HD13  LEU   9          3HD1      LEU   9  -8.334   9.493  -1.610
   82   HD21  LEU   9          1HD2      LEU   9  -6.916   9.937   1.405
   83   HD22  LEU   9          2HD2      LEU   9  -7.200  10.791  -0.113
   84   HD23  LEU   9          3HD2      LEU   9  -5.567  10.313   0.334
   85    H    SER  10           H        SER  10  -6.005   7.227   3.581
   86    HA   SER  10           HA       SER  10  -5.897   9.904   4.422
   87    HB2  SER  10          2HB       SER  10  -5.635   7.400   6.094
   88    HB3  SER  10          1HB       SER  10  -6.031   9.001   6.703
   89    HG   SER  10           HG       SER  10  -7.855   7.574   6.251
   90    H    LYS  11           H        LYS  11  -3.458   7.304   4.632
   91    HA   LYS  11           HA       LYS  11  -1.618   8.916   6.132
   92    HB2  LYS  11          2HB       LYS  11  -1.129   6.430   4.480
   93    HB3  LYS  11          1HB       LYS  11   0.040   7.158   5.577
   94    HG2  LYS  11          2HG       LYS  11  -2.696   6.147   6.405
   95    HG3  LYS  11          1HG       LYS  11  -1.191   5.256   6.620
   96    HD2  LYS  11          2HD       LYS  11  -0.391   7.427   7.860
   97    HD3  LYS  11          1HD       LYS  11  -2.115   7.760   8.005
   98    HE2  LYS  11          2HE       LYS  11  -2.474   5.590   9.081
   99    HE3  LYS  11          1HE       LYS  11  -0.756   5.218   8.925
  100    HZ1  LYS  11          1HZ       LYS  11  -0.201   6.637  10.570
  101    HZ2  LYS  11          2HZ       LYS  11  -1.793   6.341  11.083
  102    HZ3  LYS  11          3HZ       LYS  11  -1.429   7.748  10.199
  103    H    GLY  12           H        GLY  12  -1.948   8.166   2.691
  104    HA2  GLY  12          2HA       GLY  12  -0.742  10.639   1.924
  105    HA3  GLY  12          1HA       GLY  12   0.346   9.282   1.658
  106    H    ARG  13           H        ARG  13  -0.563  10.800  -0.483
  107    HA   ARG  13           HA       ARG  13  -2.787   9.366  -1.723
  108    HB2  ARG  13          2HB       ARG  13  -2.625  11.821  -1.961
  109    HB3  ARG  13          1HB       ARG  13  -1.086  11.626  -2.799
  110    HG2  ARG  13          2HG       ARG  13  -2.198  10.291  -4.554
  111    HG3  ARG  13          1HG       ARG  13  -3.743  10.481  -3.717
  112    HD2  ARG  13          2HD       ARG  13  -3.463  12.971  -3.912
  113    HD3  ARG  13          1HD       ARG  13  -2.036  12.684  -4.900
  114    HE   ARG  13           HE       ARG  13  -4.375  11.315  -5.888
  115   HH11  ARG  13          1HH1      ARG  13  -5.237  12.106  -7.839
  116   HH12  ARG  13          2HH1      ARG  13  -4.754  13.663  -8.426
  117   HH21  ARG  13          1HH2      ARG  13  -2.637  14.315  -5.769
  118   HH22  ARG  13          2HH2      ARG  13  -3.289  14.907  -7.261
  119    H    ALA  14           H        ALA  14   0.690   9.640  -1.946
  120    HA   ALA  14           HA       ALA  14   1.107   8.448  -4.448
  121    HB1  ALA  14          1HB       ALA  14   2.781   9.582  -2.796
  122    HB2  ALA  14          2HB       ALA  14   3.351   8.271  -3.828
  123    HB3  ALA  14          3HB       ALA  14   2.961   7.956  -2.139
  124    H    LEU  15           H        LEU  15   0.946   6.975  -1.202
  125    HA   LEU  15           HA       LEU  15   1.430   4.326  -2.013
  126    HB2  LEU  15          2HB       LEU  15  -0.338   5.144   0.281
  127    HB3  LEU  15          1HB       LEU  15   0.597   3.669   0.125
  128    HG   LEU  15           HG       LEU  15   1.966   6.365   0.112
  129   HD11  LEU  15          1HD1      LEU  15   2.340   5.886   2.606
  130   HD12  LEU  15          2HD1      LEU  15   0.951   4.807   2.478
  131   HD13  LEU  15          3HD1      LEU  15   0.765   6.521   2.129
  132   HD21  LEU  15          1HD2      LEU  15   3.388   4.567  -0.525
  133   HD22  LEU  15          2HD2      LEU  15   2.769   3.508   0.741
  134   HD23  LEU  15          3HD2      LEU  15   3.759   4.892   1.157
  135    H    TYR  16           H        TYR  16  -1.543   6.194  -1.690
  136    HA   TYR  16           HA       TYR  16  -3.375   4.121  -2.199
  137    HB2  TYR  16          2HB       TYR  16  -4.146   6.211  -1.310
  138    HB3  TYR  16          1HB       TYR  16  -3.506   7.104  -2.689
  139    HD1  TYR  16          1HD       TYR  16  -5.002   7.671  -4.416
  140    HD2  TYR  16          2HD       TYR  16  -5.837   4.252  -1.945
  141    HE1  TYR  16          1HE       TYR  16  -7.168   7.352  -5.583
  142    HE2  TYR  16          2HE       TYR  16  -7.997   3.940  -3.120
  143    HH   TYR  16           HH       TYR  16  -8.806   4.714  -5.693
  144    H    ASN  17           H        ASN  17  -1.825   6.445  -4.418
  145    HA   ASN  17           HA       ASN  17  -3.077   5.548  -6.772
  146    HB2  ASN  17          2HB       ASN  17  -1.804   7.640  -6.652
  147    HB3  ASN  17          1HB       ASN  17  -0.318   6.729  -6.394
  148   HD21  ASN  17          1HD2      ASN  17   0.665   7.467  -8.388
  149   HD22  ASN  17          2HD2      ASN  17   0.100   6.961  -9.906
  150    H    TRP  18           H        TRP  18  -0.091   4.546  -5.171
  151    HA   TRP  18           HA       TRP  18   0.802   2.717  -7.089
  152    HB2  TRP  18          2HB       TRP  18   2.303   3.346  -5.347
  153    HB3  TRP  18          1HB       TRP  18   1.163   2.857  -4.093
  154    HD1  TRP  18           HD       TRP  18   1.324   0.454  -3.236
  155    HE1  TRP  18          1HE       TRP  18   2.653  -1.648  -3.924
  156    HE3  TRP  18          3HE       TRP  18   3.363   2.104  -7.614
  157    HZ2  TRP  18          2HZ       TRP  18   4.366  -2.504  -6.063
  158    HZ3  TRP  18          3HZ       TRP  18   4.840   0.633  -8.948
  159    HH2  TRP  18           HH       TRP  18   5.343  -1.670  -8.180
  160    H    ALA  19           H        ALA  19  -1.280   2.217  -4.243
  161    HA   ALA  19           HA       ALA  19  -1.596  -0.553  -4.523
  162    HB1  ALA  19          1HB       ALA  19  -2.298   0.324  -2.466
  163    HB2  ALA  19          2HB       ALA  19  -3.818  -0.073  -3.272
  164    HB3  ALA  19          3HB       ALA  19  -3.250   1.596  -3.231
  165    H    LYS  20           H        LYS  20  -3.442   2.150  -5.860
  166    HA   LYS  20           HA       LYS  20  -5.495   0.617  -7.065
  167    HB2  LYS  20          2HB       LYS  20  -5.614   3.073  -6.700
  168    HB3  LYS  20          1HB       LYS  20  -4.393   3.295  -7.955
  169    HG2  LYS  20          2HG       LYS  20  -5.862   2.221  -9.607
  170    HG3  LYS  20          1HG       LYS  20  -7.075   1.935  -8.359
  171    HD2  LYS  20          2HD       LYS  20  -7.278   4.375  -8.003
  172    HD3  LYS  20          1HD       LYS  20  -6.082   4.652  -9.270
  173    HE2  LYS  20          2HE       LYS  20  -7.549   3.574 -10.919
  174    HE3  LYS  20          1HE       LYS  20  -8.738   3.238  -9.659
  175    HZ1  LYS  20          1HZ       LYS  20  -9.479   5.194 -10.645
  176    HZ2  LYS  20          2HZ       LYS  20  -7.915   5.852 -10.761
  177    HZ3  LYS  20          3HZ       LYS  20  -8.679   5.732  -9.248
  178    H    SER  21           H        SER  21  -2.409   1.856  -8.311
  179    HA   SER  21           HA       SER  21  -2.681   0.977 -10.958
  180    HB2  SER  21          2HB       SER  21  -0.950   2.573 -10.241
  181    HB3  SER  21          1HB       SER  21  -0.158   1.299  -9.318
  182    HG   SER  21           HG       SER  21  -0.586   0.396 -11.769
  183    H    HIS  22           H        HIS  22  -1.285  -0.668  -8.118
  184    HA   HIS  22           HA       HIS  22  -1.269  -3.183  -9.683
  185    HB2  HIS  22          2HB       HIS  22   0.990  -2.025  -8.903
  186    HB3  HIS  22          1HB       HIS  22   0.589  -2.784  -7.367
  187    HD1  HIS  22          1HD       HIS  22   2.505  -3.476 -10.234
  188    HD2  HIS  22          2HD       HIS  22  -0.234  -5.742  -8.054
  189    HE1  HIS  22          1HE       HIS  22   2.945  -5.898 -10.828
  190    HE2  HIS  22          2HE       HIS  22   1.300  -7.294  -9.489
  191    H    VAL  23           H        VAL  23  -3.333  -3.738  -8.954
  192    HA   VAL  23           HA       VAL  23  -4.073  -3.749  -6.226
  193    HB   VAL  23           HB       VAL  23  -5.917  -5.246  -6.974
  194   HG11  VAL  23          1HG1      VAL  23  -6.762  -3.605  -8.800
  195   HG12  VAL  23          2HG1      VAL  23  -5.252  -2.742  -8.516
  196   HG13  VAL  23          3HG1      VAL  23  -6.408  -2.943  -7.203
  197   HG21  VAL  23          1HG2      VAL  23  -6.024  -5.681  -9.469
  198   HG22  VAL  23          2HG2      VAL  23  -4.760  -6.579  -8.627
  199   HG23  VAL  23          3HG2      VAL  23  -4.347  -5.143  -9.565
  200    H    GLY  24           H        GLY  24  -2.207  -5.884  -8.199
  201    HA2  GLY  24          2HA       GLY  24  -2.552  -8.296  -6.800
  202    HA3  GLY  24          1HA       GLY  24  -1.145  -7.878  -7.763
  203    H    LYS  25           H        LYS  25  -0.224  -5.618  -6.296
  204    HA   LYS  25           HA       LYS  25   1.249  -6.894  -4.249
  205    HB2  LYS  25          2HB       LYS  25   0.989  -4.105  -5.245
  206    HB3  LYS  25          1HB       LYS  25   1.486  -4.237  -3.566
  207    HG2  LYS  25          2HG       LYS  25   3.495  -4.216  -4.829
  208    HG3  LYS  25          1HG       LYS  25   3.275  -5.894  -4.359
  209    HD2  LYS  25          2HD       LYS  25   2.208  -6.330  -6.572
  210    HD3  LYS  25          1HD       LYS  25   2.557  -4.666  -7.037
  211    HE2  LYS  25          2HE       LYS  25   4.648  -6.684  -6.185
  212    HE3  LYS  25          1HE       LYS  25   4.292  -6.254  -7.858
  213    HZ1  LYS  25          1HZ       LYS  25   6.178  -5.011  -6.878
  214    HZ2  LYS  25          2HZ       LYS  25   5.100  -4.301  -5.774
  215    HZ3  LYS  25          3HZ       LYS  25   4.929  -4.010  -7.439
  216    H    VAL  26           H        VAL  26  -1.664  -4.907  -4.186
  217    HA   VAL  26           HA       VAL  26  -1.926  -4.641  -1.402
  218    HB   VAL  26           HB       VAL  26  -4.002  -4.710  -3.589
  219   HG11  VAL  26          1HG1      VAL  26  -4.242  -4.087  -0.637
  220   HG12  VAL  26          2HG1      VAL  26  -5.147  -5.287  -1.558
  221   HG13  VAL  26          3HG1      VAL  26  -5.434  -3.568  -1.828
  222   HG21  VAL  26          1HG2      VAL  26  -3.092  -2.336  -1.976
  223   HG22  VAL  26          2HG2      VAL  26  -3.849  -2.363  -3.568
  224   HG23  VAL  26          3HG2      VAL  26  -2.167  -2.864  -3.382
  225    H    TRP  27           H        TRP  27  -3.202  -7.072  -3.647
  226    HA   TRP  27           HA       TRP  27  -4.572  -8.594  -1.695
  227    HB2  TRP  27          2HB       TRP  27  -3.451  -9.270  -4.405
  228    HB3  TRP  27          1HB       TRP  27  -4.282 -10.469  -3.420
  229    HD1  TRP  27           HD       TRP  27  -4.988  -8.109  -6.039
  230    HE1  TRP  27          1HE       TRP  27  -7.475  -7.447  -6.111
  231    HE3  TRP  27          3HE       TRP  27  -6.504  -9.837  -1.469
  232    HZ2  TRP  27          2HZ       TRP  27  -9.797  -7.617  -4.460
  233    HZ3  TRP  27          3HZ       TRP  27  -8.863  -9.568  -0.749
  234    HH2  TRP  27           HH       TRP  27 -10.508  -8.461  -2.240
  235    H    GLU  28           H        GLU  28  -1.280  -8.826  -3.001
  236    HA   GLU  28           HA       GLU  28  -0.494 -11.190  -1.740
  237    HB2  GLU  28          2HB       GLU  28   0.803 -10.038  -3.532
  238    HB3  GLU  28          1HB       GLU  28   1.262  -8.806  -2.359
  239    HG2  GLU  28          2HG       GLU  28   3.063 -10.417  -2.472
  240    HG3  GLU  28          1HG       GLU  28   2.251 -10.624  -0.925
  241    H    TRP  29           H        TRP  29  -0.238  -7.791  -0.563
  242    HA   TRP  29           HA       TRP  29   1.067  -8.580   1.830
  243    HB2  TRP  29          2HB       TRP  29  -0.647  -6.123   1.684
  244    HB3  TRP  29          1HB       TRP  29   0.797  -6.417   2.629
  245    HD1  TRP  29           HD       TRP  29  -0.148  -4.380  -0.033
  246    HE1  TRP  29          1HE       TRP  29   1.738  -3.875  -1.709
  247    HE3  TRP  29          3HE       TRP  29   3.195  -7.991   1.301
  248    HZ2  TRP  29          2HZ       TRP  29   4.328  -4.853  -2.379
  249    HZ3  TRP  29          3HZ       TRP  29   5.365  -8.154   0.147
  250    HH2  TRP  29           HH       TRP  29   5.946  -6.601  -1.690
  251    H    LEU  30           H        LEU  30  -2.370  -8.171   0.975
  252    HA   LEU  30           HA       LEU  30  -3.314  -8.437   3.631
  253    HB2  LEU  30          2HB       LEU  30  -4.544  -8.707   0.922
  254    HB3  LEU  30          1HB       LEU  30  -5.420  -9.420   2.275
  255    HG   LEU  30           HG       LEU  30  -5.196  -7.188   3.470
  256   HD11  LEU  30          1HD1      LEU  30  -4.469  -5.265   2.357
  257   HD12  LEU  30          2HD1      LEU  30  -4.626  -6.003   0.766
  258   HD13  LEU  30          3HD1      LEU  30  -3.300  -6.466   1.826
  259   HD21  LEU  30          1HD2      LEU  30  -6.680  -7.206   0.830
  260   HD22  LEU  30          2HD2      LEU  30  -7.008  -6.129   2.188
  261   HD23  LEU  30          3HD2      LEU  30  -7.273  -7.863   2.355
  262    H    LYS  31           H        LYS  31  -2.661 -10.852   1.125
  263    HA   LYS  31           HA       LYS  31  -3.619 -13.081   2.571
  264    HB2  LYS  31          2HB       LYS  31  -3.051 -13.116   0.138
  265    HB3  LYS  31          1HB       LYS  31  -1.343 -13.022   0.562
  266    HG2  LYS  31          2HG       LYS  31  -1.514 -15.137   1.802
  267    HG3  LYS  31          1HG       LYS  31  -3.240 -15.219   1.441
  268    HD2  LYS  31          2HD       LYS  31  -2.738 -15.286  -0.973
  269    HD3  LYS  31          1HD       LYS  31  -1.010 -15.225  -0.611
  270    HE2  LYS  31          2HE       LYS  31  -2.875 -17.367   0.434
  271    HE3  LYS  31          1HE       LYS  31  -1.880 -17.555  -1.010
  272    HZ1  LYS  31          1HZ       LYS  31  -0.331 -18.272   0.406
  273    HZ2  LYS  31          2HZ       LYS  31  -1.127 -17.634   1.766
  274    HZ3  LYS  31          3HZ       LYS  31  -0.121 -16.640   0.825
  275    H    SER  32           H        SER  32  -0.424 -11.527   2.431
  276    HA   SER  32           HA       SER  32   0.975 -13.362   4.049
  277    HB2  SER  32          2HB       SER  32   1.436 -10.383   3.802
  278    HB3  SER  32          1HB       SER  32   2.601 -11.577   4.366
  279    HG   SER  32           HG       SER  32   1.949 -12.575   2.163
  280    H    GLY  33           H        GLY  33  -0.966 -10.525   4.867
  281    HA2  GLY  33          2HA       GLY  33  -2.214 -10.330   6.877
  282    HA3  GLY  33          1HA       GLY  33  -1.133 -11.492   7.637
  283    H    ALA  34           H        ALA  34   0.572  -9.217   5.820
  284    HA   ALA  34           HA       ALA  34   1.992  -8.161   7.983
  285    HB1  ALA  34          1HB       ALA  34   3.028  -7.986   5.879
  286    HB2  ALA  34          2HB       ALA  34   2.578  -6.321   6.253
  287    HB3  ALA  34          3HB       ALA  34   1.600  -7.268   5.134
  288    H    THR  35           H        THR  35   2.136  -5.561   8.088
  289    HA   THR  35           HA       THR  35  -0.545  -4.681   8.946
  290    HB   THR  35           HB       THR  35   0.516  -3.253  10.482
  291    HG1  THR  35          1HG       THR  35   2.977  -3.227  10.244
  292   HG21  THR  35          1HG2      THR  35   2.402  -5.607  10.335
  293   HG22  THR  35          2HG2      THR  35   0.745  -5.745  10.919
  294   HG23  THR  35          3HG2      THR  35   1.897  -4.716  11.772
  295    H    TYR  36           H        TYR  36  -1.262  -2.573   8.436
  296    HA   TYR  36           HA       TYR  36  -0.906  -1.762   5.775
  297    HB2  TYR  36          2HB       TYR  36  -1.845  -0.008   8.030
  298    HB3  TYR  36          1HB       TYR  36  -2.260   0.128   6.324
  299    HD1  TYR  36          1HD       TYR  36  -3.031  -2.454   5.405
  300    HD2  TYR  36          2HD       TYR  36  -3.627  -0.747   9.302
  301    HE1  TYR  36          1HE       TYR  36  -4.944  -3.975   5.775
  302    HE2  TYR  36          2HE       TYR  36  -5.543  -2.275   9.672
  303    HH   TYR  36           HH       TYR  36  -6.172  -4.957   7.652
  304    H    GLU  37           H        GLU  37   0.491  -0.538   8.753
  305    HA   GLU  37           HA       GLU  37   1.846   1.668   7.670
  306    HB2  GLU  37          2HB       GLU  37   1.474   1.282  10.094
  307    HB3  GLU  37          1HB       GLU  37   2.649  -0.036  10.041
  308    HG2  GLU  37          2HG       GLU  37   4.397   1.523   9.302
  309    HG3  GLU  37          1HG       GLU  37   3.232   2.843   9.290
  310    H    GLN  38           H        GLN  38   3.047  -1.592   8.420
  311    HA   GLN  38           HA       GLN  38   5.647  -1.232   7.484
  312    HB2  GLN  38          2HB       GLN  38   4.990  -3.136   8.820
  313    HB3  GLN  38          1HB       GLN  38   3.930  -3.720   7.541
  314    HG2  GLN  38          2HG       GLN  38   5.832  -4.071   6.068
  315    HG3  GLN  38          1HG       GLN  38   6.925  -3.376   7.266
  316   HE21  GLN  38          1HE2      GLN  38   5.313  -6.288   6.300
  317   HE22  GLN  38          2HE2      GLN  38   5.820  -7.249   7.603
  318    H    ILE  39           H        ILE  39   2.719  -2.236   5.737
  319    HA   ILE  39           HA       ILE  39   4.011  -2.848   3.312
  320    HB   ILE  39           HB       ILE  39   1.184  -1.969   3.897
  321   HG12  ILE  39          2HG1      ILE  39   2.189  -4.727   3.215
  322   HG13  ILE  39          1HG1      ILE  39   2.242  -4.148   4.878
  323   HG21  ILE  39          1HG2      ILE  39   1.722  -1.607   1.523
  324   HG22  ILE  39          2HG2      ILE  39   0.677  -3.009   1.689
  325   HG23  ILE  39          3HG2      ILE  39   2.407  -3.231   1.410
  326   HD11  ILE  39          1HD1      ILE  39  -0.230  -4.321   3.128
  327   HD12  ILE  39          2HD1      ILE  39  -0.185  -3.637   4.745
  328   HD13  ILE  39          3HD1      ILE  39   0.135  -5.345   4.517
  329    H    LYS  40           H        LYS  40   2.492   0.273   4.427
  330    HA   LYS  40           HA       LYS  40   3.129   1.511   1.924
  331    HB2  LYS  40          2HB       LYS  40   2.952   3.727   3.045
  332    HB3  LYS  40          1HB       LYS  40   1.494   2.707   3.172
  333    HG2  LYS  40          2HG       LYS  40   1.967   2.138   5.440
  334    HG3  LYS  40          1HG       LYS  40   3.599   2.802   5.340
  335    HD2  LYS  40          2HD       LYS  40   2.639   5.058   4.935
  336    HD3  LYS  40          1HD       LYS  40   1.019   4.382   5.117
  337    HE2  LYS  40          2HE       LYS  40   3.043   3.960   7.290
  338    HE3  LYS  40          1HE       LYS  40   2.198   5.506   7.173
  339    HZ1  LYS  40          1HZ       LYS  40   0.704   2.974   7.066
  340    HZ2  LYS  40          2HZ       LYS  40   0.164   4.520   7.521
  341    HZ3  LYS  40          3HZ       LYS  40   1.170   3.625   8.560
  342    H    GLU  41           H        GLU  41   4.843   1.058   4.951
  343    HA   GLU  41           HA       GLU  41   6.918   2.841   4.566
  344    HB2  GLU  41          2HB       GLU  41   6.587   1.569   6.640
  345    HB3  GLU  41          1HB       GLU  41   7.087   0.098   5.809
  346    HG2  GLU  41          2HG       GLU  41   9.017   0.947   6.979
  347    HG3  GLU  41          1HG       GLU  41   9.277   1.257   5.275
  348    H    TRP  42           H        TRP  42   6.645  -0.548   3.509
  349    HA   TRP  42           HA       TRP  42   9.123  -0.696   2.185
  350    HB2  TRP  42          2HB       TRP  42   6.484  -2.035   1.579
  351    HB3  TRP  42          1HB       TRP  42   8.008  -2.476   0.825
  352    HD1  TRP  42           HD       TRP  42   9.674  -2.239   3.735
  353    HE1  TRP  42          1HE       TRP  42   9.424  -4.239   5.330
  354    HE3  TRP  42          3HE       TRP  42   5.369  -4.289   1.912
  355    HZ2  TRP  42          2HZ       TRP  42   7.627  -6.433   5.780
  356    HZ3  TRP  42          3HZ       TRP  42   4.405  -6.327   2.933
  357    HH2  TRP  42           HH       TRP  42   5.533  -7.403   4.866
  358    H    ILE  43           H        ILE  43   5.913   0.222   1.092
  359    HA   ILE  43           HA       ILE  43   6.542   0.522  -1.628
  360    HB   ILE  43           HB       ILE  43   4.415   1.821   0.071
  361   HG12  ILE  43          2HG1      ILE  43   4.231  -0.397  -1.985
  362   HG13  ILE  43          1HG1      ILE  43   4.424  -0.690  -0.254
  363   HG21  ILE  43          1HG2      ILE  43   3.294   2.242  -2.151
  364   HG22  ILE  43          2HG2      ILE  43   4.839   1.873  -2.922
  365   HG23  ILE  43          3HG2      ILE  43   4.701   3.251  -1.833
  366   HD11  ILE  43          1HD1      ILE  43   2.317   0.182   0.260
  367   HD12  ILE  43          2HD1      ILE  43   2.011  -0.641  -1.265
  368   HD13  ILE  43          3HD1      ILE  43   2.219   1.111  -1.231
  369    H    GLU  44           H        GLU  44   6.513   2.969   0.947
  370    HA   GLU  44           HA       GLU  44   7.196   5.029  -0.837
  371    HB2  GLU  44          2HB       GLU  44   7.380   6.467   1.090
  372    HB3  GLU  44          1HB       GLU  44   5.966   5.413   1.283
  373    HG2  GLU  44          2HG       GLU  44   6.761   4.667   3.250
  374    HG3  GLU  44          1HG       GLU  44   8.225   4.101   2.480
  375    H    ASN  45           H        ASN  45   9.168   2.819   1.170
  376    HA   ASN  45           HA       ASN  45  11.606   4.184   0.824
  377    HB2  ASN  45          2HB       ASN  45  11.337   2.405   2.467
  378    HB3  ASN  45          1HB       ASN  45  11.062   1.231   1.178
  379   HD21  ASN  45          1HD2      ASN  45  13.226   0.895   2.989
  380   HD22  ASN  45          2HD2      ASN  45  14.677   1.118   2.140
  381    H    ALA  46           H        ALA  46   9.954   1.709  -1.137
  382    HA   ALA  46           HA       ALA  46  12.037   1.388  -3.034
  383    HB1  ALA  46          1HB       ALA  46  10.454   0.192  -4.335
  384    HB2  ALA  46          2HB       ALA  46   9.093   1.056  -3.616
  385    HB3  ALA  46          3HB       ALA  46   9.995  -0.120  -2.659
  386    H    LEU  47           H        LEU  47   9.188   3.513  -2.874
  387    HA   LEU  47           HA       LEU  47   9.409   4.681  -5.402
  388    HB2  LEU  47          2HB       LEU  47   7.578   4.853  -3.556
  389    HB3  LEU  47          1HB       LEU  47   8.510   6.237  -2.995
  390    HG   LEU  47           HG       LEU  47   7.491   5.887  -5.831
  391   HD11  LEU  47          1HD1      LEU  47   5.789   7.544  -5.257
  392   HD12  LEU  47          2HD1      LEU  47   6.427   7.665  -3.617
  393   HD13  LEU  47          3HD1      LEU  47   5.667   6.169  -4.159
  394   HD21  LEU  47          1HD2      LEU  47   7.965   8.519  -5.608
  395   HD22  LEU  47          2HD2      LEU  47   9.235   7.391  -6.080
  396   HD23  LEU  47          3HD2      LEU  47   9.134   7.953  -4.411
  397    H    GLY  48           H        GLY  48  10.855   5.673  -2.282
  398    HA2  GLY  48          2HA       GLY  48  12.102   8.016  -3.202
  399    HA3  GLY  48          1HA       GLY  48  12.626   7.051  -1.821
  400    H    TRP  49           H        TRP  49  13.230   4.649  -3.078
  401    HA   TRP  49           HA       TRP  49  15.061   5.158  -5.271
  402    HB2  TRP  49          2HB       TRP  49  17.007   4.127  -3.988
  403    HB3  TRP  49          1HB       TRP  49  16.584   5.777  -3.539
  404    HD1  TRP  49           HD       TRP  49  16.616   2.230  -2.247
  405    HE1  TRP  49          1HE       TRP  49  15.985   2.224   0.252
  406    HE3  TRP  49          3HE       TRP  49  15.160   7.088  -1.704
  407    HZ2  TRP  49          2HZ       TRP  49  14.988   4.049   2.224
  408    HZ3  TRP  49          3HZ       TRP  49  14.377   7.931   0.487
  409    HH2  TRP  49           HH       TRP  49  14.288   6.421   2.454
  410    H    ARG  50           H        ARG  50  16.032   3.167  -6.095
  411    HA   ARG  50           HA       ARG  50  14.477   0.747  -5.350
  412    HB2  ARG  50          2HB       ARG  50  13.793   1.673  -7.549
  413    HB3  ARG  50          1HB       ARG  50  15.458   1.524  -8.113
  414    HG2  ARG  50          2HG       ARG  50  15.367  -0.919  -7.659
  415    HG3  ARG  50          1HG       ARG  50  13.680  -0.747  -7.171
  416    HD2  ARG  50          2HD       ARG  50  14.762   0.032  -9.893
  417    HD3  ARG  50          1HD       ARG  50  13.944  -1.489  -9.548
  418    HE   ARG  50           HE       ARG  50  12.706   1.142  -9.751
  419   HH11  ARG  50          1HH1      ARG  50  10.433   1.135  -9.687
  420   HH12  ARG  50          2HH1      ARG  50   9.587  -0.299  -9.214
  421   HH21  ARG  50          1HH2      ARG  50  12.487  -2.155  -8.729
  422   HH22  ARG  50          2HH2      ARG  50  10.755  -2.170  -8.667
  Start of MODEL   18
    1    H    FME   1           H        FME   1 -12.492  -4.765   1.045
    2    HCN  FME   1           HF       FME   1 -12.704  -4.761   3.372
    3    HA   FME   1           HA       FME   1  -9.723  -4.023   1.404
    4    HB2  FME   1          1HB       FME   1 -11.465  -4.215  -1.060
    5    HB3  FME   1          2HB       FME   1 -10.310  -5.417  -0.480
    6    HG2  FME   1          1HG       FME   1  -8.566  -3.491  -0.665
    7    HG3  FME   1          2HG       FME   1  -9.769  -2.709  -1.693
    8    HE1  FME   1          1HE       FME   1  -6.655  -3.924  -2.941
    9    HE2  FME   1          2HE       FME   1  -7.814  -2.605  -3.066
   10    HE3  FME   1          3HE       FME   1  -7.587  -3.699  -4.428
   11    H    ALA   2           H        ALA   2 -12.736  -2.381   1.001
   12    HA   ALA   2           HA       ALA   2 -11.795   0.051  -0.093
   13    HB1  ALA   2          1HB       ALA   2 -14.140  -0.359   1.779
   14    HB2  ALA   2          2HB       ALA   2 -14.193  -0.616   0.034
   15    HB3  ALA   2          3HB       ALA   2 -13.894   0.998   0.677
   16    H    GLY   3           H        GLY   3 -12.121  -1.100   3.250
   17    HA2  GLY   3          2HA       GLY   3 -11.443   1.337   4.515
   18    HA3  GLY   3          1HA       GLY   3 -11.250  -0.266   5.226
   19    H    LEU   4           H        LEU   4  -9.497  -1.367   3.369
   20    HA   LEU   4           HA       LEU   4  -6.986  -0.560   4.315
   21    HB2  LEU   4          2HB       LEU   4  -7.582  -2.804   3.392
   22    HB3  LEU   4          1HB       LEU   4  -7.736  -2.095   1.796
   23    HG   LEU   4           HG       LEU   4  -5.541  -3.376   2.547
   24   HD11  LEU   4          1HD1      LEU   4  -4.244  -1.672   1.032
   25   HD12  LEU   4          2HD1      LEU   4  -5.839  -0.954   0.810
   26   HD13  LEU   4          3HD1      LEU   4  -5.565  -2.633   0.366
   27   HD21  LEU   4          1HD2      LEU   4  -4.875  -0.555   3.423
   28   HD22  LEU   4          2HD2      LEU   4  -3.793  -1.940   3.403
   29   HD23  LEU   4          3HD2      LEU   4  -5.155  -1.898   4.520
   30    H    LEU   5           H        LEU   5  -8.647   0.110   1.231
   31    HA   LEU   5           HA       LEU   5  -6.573   1.638   0.068
   32    HB2  LEU   5          2HB       LEU   5  -9.556   1.634  -0.397
   33    HB3  LEU   5          1HB       LEU   5  -8.415   2.544  -1.386
   34    HG   LEU   5           HG       LEU   5  -8.240  -0.447  -0.923
   35   HD11  LEU   5          1HD1      LEU   5  -9.148  -0.667  -3.213
   36   HD12  LEU   5          2HD1      LEU   5  -9.374   1.081  -3.290
   37   HD13  LEU   5          3HD1      LEU   5 -10.303   0.121  -2.140
   38   HD21  LEU   5          1HD2      LEU   5  -6.107   0.170  -1.612
   39   HD22  LEU   5          2HD2      LEU   5  -6.687   1.566  -2.521
   40   HD23  LEU   5          3HD2      LEU   5  -6.880  -0.057  -3.181
   41    H    ARG   6           H        ARG   6  -9.388   2.573   2.039
   42    HA   ARG   6           HA       ARG   6  -9.048   5.358   1.868
   43    HB2  ARG   6          2HB       ARG   6 -11.073   4.291   2.793
   44    HB3  ARG   6          1HB       ARG   6 -10.142   3.727   4.183
   45    HG2  ARG   6          2HG       ARG   6  -9.933   6.652   3.635
   46    HG3  ARG   6          1HG       ARG   6 -11.535   6.101   4.112
   47    HD2  ARG   6          2HD       ARG   6 -10.573   5.036   6.124
   48    HD3  ARG   6          1HD       ARG   6  -8.969   5.596   5.655
   49    HE   ARG   6           HE       ARG   6 -10.855   7.752   5.809
   50   HH11  ARG   6          1HH1      ARG   6 -10.643   9.188   7.549
   51   HH12  ARG   6          2HH1      ARG   6  -9.682   8.743   8.918
   52   HH21  ARG   6          1HH2      ARG   6  -8.826   5.641   7.674
   53   HH22  ARG   6          2HH2      ARG   6  -8.666   6.756   8.991
   54    H    PHE   7           H        PHE   7  -7.723   2.989   4.166
   55    HA   PHE   7           HA       PHE   7  -6.428   4.771   5.879
   56    HB2  PHE   7          2HB       PHE   7  -6.794   2.382   6.335
   57    HB3  PHE   7          1HB       PHE   7  -5.631   1.966   5.078
   58    HD1  PHE   7          1HD       PHE   7  -3.286   2.031   5.496
   59    HD2  PHE   7          2HD       PHE   7  -6.031   3.716   8.335
   60    HE1  PHE   7          1HE       PHE   7  -1.441   2.274   7.132
   61    HE2  PHE   7          2HE       PHE   7  -4.183   3.959   9.978
   62    HZ   PHE   7           HZ       PHE   7  -1.890   3.231   9.373
   63    H    LEU   8           H        LEU   8  -5.269   3.123   2.942
   64    HA   LEU   8           HA       LEU   8  -2.622   4.113   3.108
   65    HB2  LEU   8          2HB       LEU   8  -4.293   3.061   0.844
   66    HB3  LEU   8          1HB       LEU   8  -2.679   3.709   0.554
   67    HG   LEU   8           HG       LEU   8  -3.054   1.684   2.747
   68   HD11  LEU   8          1HD1      LEU   8  -4.160   0.603   0.881
   69   HD12  LEU   8          2HD1      LEU   8  -2.537  -0.084   0.993
   70   HD13  LEU   8          3HD1      LEU   8  -2.902   1.128  -0.237
   71   HD21  LEU   8          1HD2      LEU   8  -0.759   1.274   2.401
   72   HD22  LEU   8          2HD2      LEU   8  -0.882   3.011   2.132
   73   HD23  LEU   8          3HD2      LEU   8  -0.802   1.908   0.759
   74    H    LEU   9           H        LEU   9  -5.523   5.372   1.520
   75    HA   LEU   9           HA       LEU   9  -4.299   7.558   0.238
   76    HB2  LEU   9          2HB       LEU   9  -6.703   6.508   0.031
   77    HB3  LEU   9          1HB       LEU   9  -7.112   7.695   1.264
   78    HG   LEU   9           HG       LEU   9  -5.732   8.364  -1.346
   79   HD11  LEU   9          1HD1      LEU   9  -7.859   9.108  -2.165
   80   HD12  LEU   9          2HD1      LEU   9  -8.624   8.841  -0.599
   81   HD13  LEU   9          3HD1      LEU   9  -8.086   7.467  -1.565
   82   HD21  LEU   9          1HD2      LEU   9  -6.821  10.674  -0.543
   83   HD22  LEU   9          2HD2      LEU   9  -5.230  10.165   0.017
   84   HD23  LEU   9          3HD2      LEU   9  -6.643   9.924   1.045
   85    H    SER  10           H        SER  10  -5.849   7.275   3.434
   86    HA   SER  10           HA       SER  10  -5.636   9.976   4.163
   87    HB2  SER  10          2HB       SER  10  -7.029   8.357   5.387
   88    HB3  SER  10          1HB       SER  10  -5.577   7.522   5.935
   89    HG   SER  10           HG       SER  10  -6.232   8.975   7.513
   90    H    LYS  11           H        LYS  11  -3.349   7.260   4.552
   91    HA   LYS  11           HA       LYS  11  -1.465   8.788   6.061
   92    HB2  LYS  11          2HB       LYS  11  -1.180   6.218   4.499
   93    HB3  LYS  11          1HB       LYS  11   0.112   6.910   5.476
   94    HG2  LYS  11          2HG       LYS  11  -2.627   6.180   6.558
   95    HG3  LYS  11          1HG       LYS  11  -1.222   5.121   6.646
   96    HD2  LYS  11          2HD       LYS  11  -0.053   7.157   7.794
   97    HD3  LYS  11          1HD       LYS  11  -1.695   7.741   8.059
   98    HE2  LYS  11          2HE       LYS  11  -2.269   5.591   9.172
   99    HE3  LYS  11          1HE       LYS  11  -0.598   5.066   8.961
  100    HZ1  LYS  11          1HZ       LYS  11   0.051   6.267  10.691
  101    HZ2  LYS  11          2HZ       LYS  11  -1.591   6.468  11.076
  102    HZ3  LYS  11          3HZ       LYS  11  -0.779   7.649  10.165
  103    H    GLY  12           H        GLY  12  -1.728   7.999   2.594
  104    HA2  GLY  12          2HA       GLY  12  -0.283  10.378   1.920
  105    HA3  GLY  12          1HA       GLY  12   0.681   8.930   1.660
  106    H    ARG  13           H        ARG  13  -0.040  10.671  -0.409
  107    HA   ARG  13           HA       ARG  13  -2.265   9.469  -1.860
  108    HB2  ARG  13          2HB       ARG  13  -0.351  11.713  -2.556
  109    HB3  ARG  13          1HB       ARG  13  -1.608  11.127  -3.645
  110    HG2  ARG  13          2HG       ARG  13  -3.325  11.654  -1.964
  111    HG3  ARG  13          1HG       ARG  13  -2.073  12.219  -0.858
  112    HD2  ARG  13          2HD       ARG  13  -2.522  13.380  -3.617
  113    HD3  ARG  13          1HD       ARG  13  -3.200  14.067  -2.142
  114    HE   ARG  13           HE       ARG  13  -0.431  13.758  -1.765
  115   HH11  ARG  13          1HH1      ARG  13   0.954  15.547  -2.072
  116   HH12  ARG  13          2HH1      ARG  13   0.403  16.904  -2.995
  117   HH21  ARG  13          1HH2      ARG  13  -2.699  15.519  -3.676
  118   HH22  ARG  13          2HH2      ARG  13  -1.668  16.892  -3.896
  119    H    ALA  14           H        ALA  14   1.238   9.465  -1.812
  120    HA   ALA  14           HA       ALA  14   1.664   8.215  -4.314
  121    HB1  ALA  14          1HB       ALA  14   3.434   7.737  -1.932
  122    HB2  ALA  14          2HB       ALA  14   3.341   9.340  -2.658
  123    HB3  ALA  14          3HB       ALA  14   3.880   7.963  -3.622
  124    H    LEU  15           H        LEU  15   1.129   6.952  -1.051
  125    HA   LEU  15           HA       LEU  15   1.560   4.236  -1.630
  126    HB2  LEU  15          2HB       LEU  15  -0.420   5.321   0.369
  127    HB3  LEU  15          1HB       LEU  15   0.437   3.787   0.424
  128    HG   LEU  15           HG       LEU  15   1.840   6.470   0.476
  129   HD11  LEU  15          1HD1      LEU  15   0.614   6.430   2.489
  130   HD12  LEU  15          2HD1      LEU  15   2.208   5.809   2.927
  131   HD13  LEU  15          3HD1      LEU  15   0.856   4.697   2.701
  132   HD21  LEU  15          1HD2      LEU  15   3.399   4.845  -0.209
  133   HD22  LEU  15          2HD2      LEU  15   2.682   3.594   0.803
  134   HD23  LEU  15          3HD2      LEU  15   3.608   4.895   1.535
  135    H    TYR  16           H        TYR  16  -1.343   6.257  -1.804
  136    HA   TYR  16           HA       TYR  16  -3.213   4.254  -2.472
  137    HB2  TYR  16          2HB       TYR  16  -3.845   6.498  -1.728
  138    HB3  TYR  16          1HB       TYR  16  -3.147   7.191  -3.187
  139    HD1  TYR  16          1HD       TYR  16  -4.597   7.695  -4.905
  140    HD2  TYR  16          2HD       TYR  16  -5.562   4.469  -2.242
  141    HE1  TYR  16          1HE       TYR  16  -6.751   7.375  -6.077
  142    HE2  TYR  16          2HE       TYR  16  -7.717   4.139  -3.424
  143    HH   TYR  16           HH       TYR  16  -8.968   4.740  -5.156
  144    H    ASN  17           H        ASN  17  -1.211   6.391  -4.487
  145    HA   ASN  17           HA       ASN  17  -2.200   5.536  -6.976
  146    HB2  ASN  17          2HB       ASN  17  -0.843   7.561  -6.741
  147    HB3  ASN  17          1HB       ASN  17   0.552   6.590  -6.272
  148   HD21  ASN  17          1HD2      ASN  17   1.766   7.297  -8.163
  149   HD22  ASN  17          2HD2      ASN  17   1.383   6.729  -9.715
  150    H    TRP  18           H        TRP  18   0.503   4.362  -4.997
  151    HA   TRP  18           HA       TRP  18   1.517   2.437  -6.768
  152    HB2  TRP  18          2HB       TRP  18   2.787   3.001  -4.808
  153    HB3  TRP  18          1HB       TRP  18   1.453   2.562  -3.745
  154    HD1  TRP  18           HD       TRP  18   1.098   0.060  -3.162
  155    HE1  TRP  18          1HE       TRP  18   2.471  -2.081  -3.594
  156    HE3  TRP  18          3HE       TRP  18   4.449   1.853  -6.551
  157    HZ2  TRP  18          2HZ       TRP  18   4.704  -2.928  -5.182
  158    HZ3  TRP  18          3HZ       TRP  18   6.196   0.376  -7.506
  159    HH2  TRP  18           HH       TRP  18   6.331  -2.008  -6.826
  160    H    ALA  19           H        ALA  19  -0.968   2.148  -4.236
  161    HA   ALA  19           HA       ALA  19  -1.419  -0.606  -4.543
  162    HB1  ALA  19          1HB       ALA  19  -3.102   1.655  -3.504
  163    HB2  ALA  19          2HB       ALA  19  -2.343   0.339  -2.612
  164    HB3  ALA  19          3HB       ALA  19  -3.754   0.021  -3.622
  165    H    LYS  20           H        LYS  20  -2.904   2.184  -6.140
  166    HA   LYS  20           HA       LYS  20  -4.885   0.761  -7.578
  167    HB2  LYS  20          2HB       LYS  20  -4.842   3.237  -7.282
  168    HB3  LYS  20          1HB       LYS  20  -3.478   3.312  -8.397
  169    HG2  LYS  20          2HG       LYS  20  -4.839   2.293 -10.170
  170    HG3  LYS  20          1HG       LYS  20  -6.200   2.148  -9.060
  171    HD2  LYS  20          2HD       LYS  20  -6.277   4.597  -8.814
  172    HD3  LYS  20          1HD       LYS  20  -4.903   4.754  -9.912
  173    HE2  LYS  20          2HE       LYS  20  -6.989   5.128 -11.141
  174    HE3  LYS  20          1HE       LYS  20  -6.231   3.635 -11.691
  175    HZ1  LYS  20          1HZ       LYS  20  -8.790   3.913 -10.767
  176    HZ2  LYS  20          2HZ       LYS  20  -7.963   3.192  -9.470
  177    HZ3  LYS  20          3HZ       LYS  20  -7.960   2.453 -11.000
  178    H    SER  21           H        SER  21  -1.593   1.737  -8.399
  179    HA   SER  21           HA       SER  21  -1.585   0.834 -11.061
  180    HB2  SER  21          2HB       SER  21   0.731   1.088  -9.137
  181    HB3  SER  21          1HB       SER  21   0.872   0.885 -10.880
  182    HG   SER  21           HG       SER  21   0.964   3.066 -10.387
  183    H    HIS  22           H        HIS  22  -0.684  -0.812  -8.053
  184    HA   HIS  22           HA       HIS  22  -0.759  -3.383  -9.525
  185    HB2  HIS  22          2HB       HIS  22   1.335  -2.415  -7.575
  186    HB3  HIS  22          1HB       HIS  22   1.091  -4.125  -7.935
  187    HD1  HIS  22          1HD       HIS  22   2.051  -0.870  -9.603
  188    HD2  HIS  22          2HD       HIS  22   2.097  -4.956 -10.430
  189    HE1  HIS  22          1HE       HIS  22   3.363  -1.151 -11.749
  190    HE2  HIS  22          2HE       HIS  22   3.390  -3.637 -12.276
  191    H    VAL  23           H        VAL  23  -2.887  -3.654  -8.714
  192    HA   VAL  23           HA       VAL  23  -3.502  -3.559  -5.934
  193    HB   VAL  23           HB       VAL  23  -5.555  -4.799  -6.589
  194   HG11  VAL  23          1HG1      VAL  23  -5.749  -2.463  -6.784
  195   HG12  VAL  23          2HG1      VAL  23  -6.218  -3.028  -8.388
  196   HG13  VAL  23          3HG1      VAL  23  -4.598  -2.385  -8.119
  197   HG21  VAL  23          1HG2      VAL  23  -4.541  -6.223  -8.322
  198   HG22  VAL  23          2HG2      VAL  23  -4.201  -4.799  -9.307
  199   HG23  VAL  23          3HG2      VAL  23  -5.870  -5.287  -9.007
  200    H    GLY  24           H        GLY  24  -2.112  -5.966  -8.024
  201    HA2  GLY  24          2HA       GLY  24  -2.660  -8.284  -6.546
  202    HA3  GLY  24          1HA       GLY  24  -1.268  -8.057  -7.593
  203    H    LYS  25           H        LYS  25   0.153  -6.098  -6.333
  204    HA   LYS  25           HA       LYS  25   1.469  -7.556  -4.336
  205    HB2  LYS  25          2HB       LYS  25   1.579  -4.616  -5.023
  206    HB3  LYS  25          1HB       LYS  25   2.711  -5.439  -3.977
  207    HG2  LYS  25          2HG       LYS  25   2.223  -6.327  -6.801
  208    HG3  LYS  25          1HG       LYS  25   3.480  -5.178  -6.356
  209    HD2  LYS  25          2HD       LYS  25   4.254  -6.987  -4.644
  210    HD3  LYS  25          1HD       LYS  25   3.264  -8.095  -5.599
  211    HE2  LYS  25          2HE       LYS  25   4.502  -7.485  -7.636
  212    HE3  LYS  25          1HE       LYS  25   5.503  -6.374  -6.698
  213    HZ1  LYS  25          1HZ       LYS  25   6.829  -8.138  -6.446
  214    HZ2  LYS  25          2HZ       LYS  25   5.621  -9.249  -6.888
  215    HZ3  LYS  25          3HZ       LYS  25   5.699  -8.664  -5.296
  216    H    VAL  26           H        VAL  26  -1.026  -5.070  -4.118
  217    HA   VAL  26           HA       VAL  26  -0.899  -4.672  -1.309
  218    HB   VAL  26           HB       VAL  26  -3.166  -4.337  -3.290
  219   HG11  VAL  26          1HG1      VAL  26  -4.210  -4.586  -1.143
  220   HG12  VAL  26          2HG1      VAL  26  -4.074  -2.844  -1.401
  221   HG13  VAL  26          3HG1      VAL  26  -2.932  -3.672  -0.345
  222   HG21  VAL  26          1HG2      VAL  26  -2.580  -1.920  -2.908
  223   HG22  VAL  26          2HG2      VAL  26  -1.295  -2.844  -3.688
  224   HG23  VAL  26          3HG2      VAL  26  -1.190  -2.462  -1.969
  225    H    TRP  27           H        TRP  27  -2.828  -6.790  -3.383
  226    HA   TRP  27           HA       TRP  27  -4.372  -8.054  -1.401
  227    HB2  TRP  27          2HB       TRP  27  -3.468  -8.936  -4.143
  228    HB3  TRP  27          1HB       TRP  27  -4.423  -9.991  -3.104
  229    HD1  TRP  27           HD       TRP  27  -4.907  -6.205  -3.249
  230    HE1  TRP  27          1HE       TRP  27  -7.279  -5.709  -4.135
  231    HE3  TRP  27          3HE       TRP  27  -6.366 -10.925  -4.498
  232    HZ2  TRP  27          2HZ       TRP  27  -9.519  -7.154  -5.227
  233    HZ3  TRP  27          3HZ       TRP  27  -8.610 -11.348  -5.454
  234    HH2  TRP  27           HH       TRP  27 -10.188  -9.471  -5.821
  235    H    GLU  28           H        GLU  28  -1.248  -8.833  -2.801
  236    HA   GLU  28           HA       GLU  28  -0.665 -11.248  -1.630
  237    HB2  GLU  28          2HB       GLU  28   0.804 -10.390  -3.310
  238    HB3  GLU  28          1HB       GLU  28   1.122  -8.924  -2.408
  239    HG2  GLU  28          2HG       GLU  28   3.054 -10.362  -2.246
  240    HG3  GLU  28          1HG       GLU  28   2.309 -10.305  -0.666
  241    H    TRP  29           H        TRP  29   0.076  -7.953  -0.257
  242    HA   TRP  29           HA       TRP  29   1.070  -9.283   2.131
  243    HB2  TRP  29          2HB       TRP  29   0.443  -6.362   1.728
  244    HB3  TRP  29          1HB       TRP  29   1.164  -7.057   3.179
  245    HD1  TRP  29           HD       TRP  29   3.444  -8.645   2.660
  246    HE1  TRP  29          1HE       TRP  29   5.346  -8.117   0.987
  247    HE3  TRP  29          3HE       TRP  29   1.098  -5.232  -0.233
  248    HZ2  TRP  29          2HZ       TRP  29   5.786  -6.462  -1.296
  249    HZ3  TRP  29          3HZ       TRP  29   2.233  -4.208  -2.141
  250    HH2  TRP  29           HH       TRP  29   4.580  -4.817  -2.688
  251    H    LEU  30           H        LEU  30  -2.040  -7.954   1.213
  252    HA   LEU  30           HA       LEU  30  -3.196  -7.944   3.797
  253    HB2  LEU  30          2HB       LEU  30  -4.249  -8.060   1.008
  254    HB3  LEU  30          1HB       LEU  30  -5.351  -8.537   2.294
  255    HG   LEU  30           HG       LEU  30  -5.338  -6.056   1.568
  256   HD11  LEU  30          1HD1      LEU  30  -4.913  -6.634   4.513
  257   HD12  LEU  30          2HD1      LEU  30  -6.398  -7.012   3.642
  258   HD13  LEU  30          3HD1      LEU  30  -5.872  -5.338   3.809
  259   HD21  LEU  30          1HD2      LEU  30  -2.682  -6.110   1.876
  260   HD22  LEU  30          2HD2      LEU  30  -3.101  -5.675   3.522
  261   HD23  LEU  30          3HD2      LEU  30  -3.612  -4.655   2.182
  262    H    LYS  31           H        LYS  31  -2.947 -10.540   1.365
  263    HA   LYS  31           HA       LYS  31  -4.365 -12.488   2.881
  264    HB2  LYS  31          2HB       LYS  31  -2.253 -12.800   0.742
  265    HB3  LYS  31          1HB       LYS  31  -3.232 -14.120   1.377
  266    HG2  LYS  31          2HG       LYS  31  -4.433 -11.628   0.147
  267    HG3  LYS  31          1HG       LYS  31  -4.068 -13.075  -0.790
  268    HD2  LYS  31          2HD       LYS  31  -5.490 -14.330   0.984
  269    HD3  LYS  31          1HD       LYS  31  -6.094 -12.732   1.423
  270    HE2  LYS  31          2HE       LYS  31  -6.167 -13.882  -1.378
  271    HE3  LYS  31          1HE       LYS  31  -7.533 -13.858  -0.263
  272    HZ1  LYS  31          1HZ       LYS  31  -6.804 -11.867  -2.004
  273    HZ2  LYS  31          2HZ       LYS  31  -6.326 -11.289  -0.478
  274    HZ3  LYS  31          3HZ       LYS  31  -7.940 -11.751  -0.750
  275    H    SER  32           H        SER  32  -0.930 -11.676   2.580
  276    HA   SER  32           HA       SER  32   0.123 -13.749   4.145
  277    HB2  SER  32          2HB       SER  32   1.100 -10.910   3.789
  278    HB3  SER  32          1HB       SER  32   2.045 -12.216   4.501
  279    HG   SER  32           HG       SER  32   0.905 -12.902   2.117
  280    H    GLY  33           H        GLY  33  -1.191 -10.599   5.018
  281    HA2  GLY  33          2HA       GLY  33  -2.402 -10.274   7.061
  282    HA3  GLY  33          1HA       GLY  33  -1.378 -11.479   7.831
  283    H    ALA  34           H        ALA  34   0.273  -9.279   5.785
  284    HA   ALA  34           HA       ALA  34   1.844  -8.239   7.908
  285    HB1  ALA  34          1HB       ALA  34   1.708  -6.708   5.355
  286    HB2  ALA  34          2HB       ALA  34   2.258  -8.379   5.255
  287    HB3  ALA  34          3HB       ALA  34   3.109  -7.228   6.286
  288    H    THR  35           H        THR  35   1.974  -6.068   8.686
  289    HA   THR  35           HA       THR  35  -0.593  -4.924   9.227
  290    HB   THR  35           HB       THR  35   0.833  -3.089  10.314
  291    HG1  THR  35          1HG       THR  35   2.805  -4.929   9.459
  292   HG21  THR  35          1HG2      THR  35  -0.057  -4.819  11.684
  293   HG22  THR  35          2HG2      THR  35   1.660  -4.736  12.078
  294   HG23  THR  35          3HG2      THR  35   1.056  -6.013  11.019
  295    H    TYR  36           H        TYR  36  -1.349  -2.852   8.664
  296    HA   TYR  36           HA       TYR  36  -1.041  -2.148   5.951
  297    HB2  TYR  36          2HB       TYR  36  -2.039  -0.339   8.175
  298    HB3  TYR  36          1HB       TYR  36  -2.441  -0.247   6.460
  299    HD1  TYR  36          1HD       TYR  36  -3.228  -2.705   5.506
  300    HD2  TYR  36          2HD       TYR  36  -3.688  -1.243   9.518
  301    HE1  TYR  36          1HE       TYR  36  -5.107  -4.283   5.869
  302    HE2  TYR  36          2HE       TYR  36  -5.565  -2.812   9.875
  303    HH   TYR  36           HH       TYR  36  -6.803  -4.827   7.249
  304    H    GLU  37           H        GLU  37   0.446  -0.974   8.918
  305    HA   GLU  37           HA       GLU  37   1.744   1.286   7.843
  306    HB2  GLU  37          2HB       GLU  37   1.426   0.910  10.243
  307    HB3  GLU  37          1HB       GLU  37   2.552  -0.446  10.181
  308    HG2  GLU  37          2HG       GLU  37   4.336   1.071   9.403
  309    HG3  GLU  37          1HG       GLU  37   3.203   2.422   9.452
  310    H    GLN  38           H        GLN  38   2.860  -2.040   8.367
  311    HA   GLN  38           HA       GLN  38   5.472  -1.636   7.408
  312    HB2  GLN  38          2HB       GLN  38   4.812  -3.601   8.695
  313    HB3  GLN  38          1HB       GLN  38   3.771  -4.142   7.381
  314    HG2  GLN  38          2HG       GLN  38   5.697  -4.368   5.903
  315    HG3  GLN  38          1HG       GLN  38   6.764  -3.719   7.150
  316   HE21  GLN  38          1HE2      GLN  38   7.895  -5.362   8.193
  317   HE22  GLN  38          2HE2      GLN  38   7.302  -6.926   8.482
  318    H    ILE  39           H        ILE  39   2.460  -2.493   5.754
  319    HA   ILE  39           HA       ILE  39   3.550  -3.024   3.218
  320    HB   ILE  39           HB       ILE  39   0.831  -1.996   4.034
  321   HG12  ILE  39          2HG1      ILE  39   1.659  -4.718   3.015
  322   HG13  ILE  39          1HG1      ILE  39   1.674  -4.307   4.729
  323   HG21  ILE  39          1HG2      ILE  39   0.964  -1.326   1.780
  324   HG22  ILE  39          2HG2      ILE  39   0.230  -2.925   1.684
  325   HG23  ILE  39          3HG2      ILE  39   1.948  -2.721   1.324
  326   HD11  ILE  39          1HD1      ILE  39  -0.634  -4.113   4.846
  327   HD12  ILE  39          2HD1      ILE  39  -0.464  -5.400   3.658
  328   HD13  ILE  39          3HD1      ILE  39  -0.798  -3.755   3.127
  329    H    LYS  40           H        LYS  40   2.263   0.108   4.558
  330    HA   LYS  40           HA       LYS  40   2.893   1.422   2.089
  331    HB2  LYS  40          2HB       LYS  40   2.835   3.588   3.242
  332    HB3  LYS  40          1HB       LYS  40   1.361   2.622   3.504
  333    HG2  LYS  40          2HG       LYS  40   2.103   1.976   5.708
  334    HG3  LYS  40          1HG       LYS  40   3.681   2.730   5.459
  335    HD2  LYS  40          2HD       LYS  40   2.527   4.930   5.170
  336    HD3  LYS  40          1HD       LYS  40   1.000   4.145   5.554
  337    HE2  LYS  40          2HE       LYS  40   1.786   3.579   7.780
  338    HE3  LYS  40          1HE       LYS  40   3.397   4.193   7.404
  339    HZ1  LYS  40          1HZ       LYS  40   2.755   6.276   7.767
  340    HZ2  LYS  40          2HZ       LYS  40   1.363   5.632   8.494
  341    HZ3  LYS  40          3HZ       LYS  40   1.334   6.097   6.861
  342    H    GLU  41           H        GLU  41   4.707   0.778   5.028
  343    HA   GLU  41           HA       GLU  41   6.834   2.500   4.607
  344    HB2  GLU  41          2HB       GLU  41   6.515   1.189   6.649
  345    HB3  GLU  41          1HB       GLU  41   6.941  -0.274   5.758
  346    HG2  GLU  41          2HG       GLU  41   9.153   0.645   5.256
  347    HG3  GLU  41          1HG       GLU  41   8.737   2.146   6.083
  348    H    TRP  42           H        TRP  42   6.423  -0.869   3.475
  349    HA   TRP  42           HA       TRP  42   8.906  -0.897   2.107
  350    HB2  TRP  42          2HB       TRP  42   6.387  -2.483   1.587
  351    HB3  TRP  42          1HB       TRP  42   7.923  -2.771   0.786
  352    HD1  TRP  42           HD       TRP  42   9.859  -2.497   3.348
  353    HE1  TRP  42          1HE       TRP  42   9.864  -4.384   5.081
  354    HE3  TRP  42          3HE       TRP  42   5.290  -4.602   2.392
  355    HZ2  TRP  42          2HZ       TRP  42   8.170  -6.526   5.959
  356    HZ3  TRP  42          3HZ       TRP  42   4.523  -6.570   3.689
  357    HH2  TRP  42           HH       TRP  42   5.955  -7.534   5.470
  358    H    ILE  43           H        ILE  43   5.647   0.004   1.122
  359    HA   ILE  43           HA       ILE  43   6.205   0.334  -1.624
  360    HB   ILE  43           HB       ILE  43   4.161   1.639   0.177
  361   HG12  ILE  43          2HG1      ILE  43   3.831  -0.508  -1.940
  362   HG13  ILE  43          1HG1      ILE  43   4.090  -0.869  -0.230
  363   HG21  ILE  43          1HG2      ILE  43   4.581   1.806  -2.807
  364   HG22  ILE  43          2HG2      ILE  43   4.395   3.128  -1.655
  365   HG23  ILE  43          3HG2      ILE  43   3.011   2.111  -2.059
  366   HD11  ILE  43          1HD1      ILE  43   2.043   0.144   0.404
  367   HD12  ILE  43          2HD1      ILE  43   1.646  -0.772  -1.045
  368   HD13  ILE  43          3HD1      ILE  43   1.874   0.974  -1.141
  369    H    GLU  44           H        GLU  44   6.308   2.738   1.021
  370    HA   GLU  44           HA       GLU  44   7.014   4.827  -0.736
  371    HB2  GLU  44          2HB       GLU  44   7.266   6.218   1.201
  372    HB3  GLU  44          1HB       GLU  44   5.849   5.185   1.424
  373    HG2  GLU  44          2HG       GLU  44   6.686   4.372   3.347
  374    HG3  GLU  44          1HG       GLU  44   8.122   3.794   2.516
  375    H    ASN  45           H        ASN  45   8.979   2.497   1.162
  376    HA   ASN  45           HA       ASN  45  11.449   3.796   0.753
  377    HB2  ASN  45          2HB       ASN  45  10.646   0.926   1.231
  378    HB3  ASN  45          1HB       ASN  45  12.330   1.372   0.951
  379   HD21  ASN  45          1HD2      ASN  45  11.432   0.337   3.528
  380   HD22  ASN  45          2HD2      ASN  45  11.574   1.598   4.658
  381    H    ALA  46           H        ALA  46   9.634   1.410  -1.224
  382    HA   ALA  46           HA       ALA  46  11.663   1.090  -3.180
  383    HB1  ALA  46          1HB       ALA  46   8.668   0.687  -3.289
  384    HB2  ALA  46          2HB       ALA  46   9.913  -0.542  -3.061
  385    HB3  ALA  46          3HB       ALA  46   9.752   0.272  -4.617
  386    H    LEU  47           H        LEU  47   8.920   3.295  -2.890
  387    HA   LEU  47           HA       LEU  47   9.098   4.513  -5.409
  388    HB2  LEU  47          2HB       LEU  47   7.329   4.720  -3.488
  389    HB3  LEU  47          1HB       LEU  47   8.340   6.059  -2.949
  390    HG   LEU  47           HG       LEU  47   7.224   5.804  -5.764
  391   HD11  LEU  47          1HD1      LEU  47   6.290   7.526  -3.450
  392   HD12  LEU  47          2HD1      LEU  47   5.439   6.119  -4.089
  393   HD13  LEU  47          3HD1      LEU  47   5.639   7.557  -5.089
  394   HD21  LEU  47          1HD2      LEU  47   8.936   7.824  -4.333
  395   HD22  LEU  47          2HD2      LEU  47   7.788   8.398  -5.543
  396   HD23  LEU  47          3HD2      LEU  47   9.035   7.248  -5.997
  397    H    GLY  48           H        GLY  48  10.657   5.368  -2.301
  398    HA2  GLY  48          2HA       GLY  48  11.963   7.705  -3.188
  399    HA3  GLY  48          1HA       GLY  48  12.453   6.712  -1.817
  400    H    TRP  49           H        TRP  49  12.967   4.294  -3.158
  401    HA   TRP  49           HA       TRP  49  15.621   4.651  -4.006
  402    HB2  TRP  49          2HB       TRP  49  14.904   2.517  -3.143
  403    HB3  TRP  49          1HB       TRP  49  13.716   2.342  -4.433
  404    HD1  TRP  49           HD       TRP  49  17.478   2.247  -3.777
  405    HE1  TRP  49          1HE       TRP  49  18.641   1.076  -5.757
  406    HE3  TRP  49          3HE       TRP  49  13.527   1.785  -6.990
  407    HZ2  TRP  49          2HZ       TRP  49  17.991   0.075  -8.350
  408    HZ3  TRP  49          3HZ       TRP  49  13.834   0.720  -9.209
  409    HH2  TRP  49           HH       TRP  49  16.059  -0.133  -9.892
  410    H    ARG  50           H        ARG  50  12.611   4.303  -5.872
  411    HA   ARG  50           HA       ARG  50  13.749   4.098  -8.433
  412    HB2  ARG  50          2HB       ARG  50  11.122   5.269  -7.503
  413    HB3  ARG  50          1HB       ARG  50  11.542   5.069  -9.203
  414    HG2  ARG  50          2HG       ARG  50  11.867   2.646  -8.840
  415    HG3  ARG  50          1HG       ARG  50  11.440   2.847  -7.144
  416    HD2  ARG  50          2HD       ARG  50   9.206   3.664  -7.790
  417    HD3  ARG  50          1HD       ARG  50   9.629   3.489  -9.488
  418    HE   ARG  50           HE       ARG  50   9.059   1.320  -7.603
  419   HH11  ARG  50          1HH1      ARG  50   8.715  -0.690  -8.590
  420   HH12  ARG  50          2HH1      ARG  50   9.065  -0.896 -10.274
  421   HH21  ARG  50          1HH2      ARG  50  10.162   2.355 -10.725
  422   HH22  ARG  50          2HH2      ARG  50   9.892   0.816 -11.474
  Start of MODEL   19
    1    H    FME   1           H        FME   1 -12.190  -5.071   1.366
    2    HCN  FME   1           HF       FME   1 -12.689  -4.257   3.499
    3    HA   FME   1           HA       FME   1  -9.661  -3.985   1.251
    4    HB2  FME   1          1HB       FME   1 -11.628  -3.997  -1.052
    5    HB3  FME   1          2HB       FME   1 -10.734  -5.414  -0.505
    6    HG2  FME   1          1HG       FME   1  -8.610  -4.289  -0.969
    7    HG3  FME   1          2HG       FME   1  -9.468  -2.822  -1.443
    8    HE1  FME   1          1HE       FME   1  -7.917  -4.229  -4.664
    9    HE2  FME   1          2HE       FME   1  -7.511  -3.562  -3.082
   10    HE3  FME   1          3HE       FME   1  -8.614  -2.689  -4.142
   11    H    ALA   2           H        ALA   2 -12.744  -2.342   0.944
   12    HA   ALA   2           HA       ALA   2 -11.813   0.082  -0.143
   13    HB1  ALA   2          1HB       ALA   2 -14.116  -0.240   1.792
   14    HB2  ALA   2          2HB       ALA   2 -14.218  -0.622   0.072
   15    HB3  ALA   2          3HB       ALA   2 -13.897   1.033   0.591
   16    H    GLY   3           H        GLY   3 -12.104  -1.012   3.217
   17    HA2  GLY   3          2HA       GLY   3 -11.407   1.403   4.488
   18    HA3  GLY   3          1HA       GLY   3 -11.203  -0.205   5.171
   19    H    LEU   4           H        LEU   4  -9.457  -1.284   3.299
   20    HA   LEU   4           HA       LEU   4  -6.961  -0.487   4.271
   21    HB2  LEU   4          2HB       LEU   4  -7.588  -2.709   3.301
   22    HB3  LEU   4          1HB       LEU   4  -7.651  -1.969   1.715
   23    HG   LEU   4           HG       LEU   4  -5.513  -3.308   2.555
   24   HD11  LEU   4          1HD1      LEU   4  -4.112  -1.747   1.079
   25   HD12  LEU   4          2HD1      LEU   4  -5.589  -0.812   0.878
   26   HD13  LEU   4          3HD1      LEU   4  -5.536  -2.490   0.361
   27   HD21  LEU   4          1HD2      LEU   4  -4.822  -0.499   3.448
   28   HD22  LEU   4          2HD2      LEU   4  -3.771  -1.906   3.455
   29   HD23  LEU   4          3HD2      LEU   4  -5.153  -1.839   4.544
   30    H    LEU   5           H        LEU   5  -8.586   0.206   1.197
   31    HA   LEU   5           HA       LEU   5  -6.503   1.707   0.020
   32    HB2  LEU   5          2HB       LEU   5  -9.499   1.735  -0.390
   33    HB3  LEU   5          1HB       LEU   5  -8.369   2.635  -1.401
   34    HG   LEU   5           HG       LEU   5  -8.255  -0.365  -0.958
   35   HD11  LEU   5          1HD1      LEU   5  -9.107  -0.512  -3.289
   36   HD12  LEU   5          2HD1      LEU   5  -9.317   1.239  -3.305
   37   HD13  LEU   5          3HD1      LEU   5 -10.273   0.248  -2.205
   38   HD21  LEU   5          1HD2      LEU   5  -6.847   0.055  -3.212
   39   HD22  LEU   5          2HD2      LEU   5  -6.095   0.146  -1.622
   40   HD23  LEU   5          3HD2      LEU   5  -6.583   1.624  -2.452
   41    H    ARG   6           H        ARG   6  -9.308   2.647   1.980
   42    HA   ARG   6           HA       ARG   6  -8.969   5.436   1.843
   43    HB2  ARG   6          2HB       ARG   6 -10.994   4.304   2.745
   44    HB3  ARG   6          1HB       ARG   6 -10.066   3.815   4.158
   45    HG2  ARG   6          2HG       ARG   6  -9.930   6.727   3.544
   46    HG3  ARG   6          1HG       ARG   6 -11.530   6.148   3.990
   47    HD2  ARG   6          2HD       ARG   6  -9.023   5.651   5.615
   48    HD3  ARG   6          1HD       ARG   6 -10.196   6.921   5.950
   49    HE   ARG   6           HE       ARG   6 -11.645   4.551   5.847
   50   HH11  ARG   6          1HH1      ARG   6 -12.101   3.386   7.755
   51   HH12  ARG   6          2HH1      ARG   6 -11.094   3.595   9.147
   52   HH21  ARG   6          1HH2      ARG   6  -9.005   5.901   7.604
   53   HH22  ARG   6          2HH2      ARG   6  -9.336   5.031   9.065
   54    H    PHE   7           H        PHE   7  -7.697   3.053   4.154
   55    HA   PHE   7           HA       PHE   7  -6.426   4.846   5.889
   56    HB2  PHE   7          2HB       PHE   7  -6.775   2.421   6.331
   57    HB3  PHE   7          1HB       PHE   7  -5.548   2.053   5.121
   58    HD1  PHE   7          1HD       PHE   7  -3.247   2.103   5.651
   59    HD2  PHE   7          2HD       PHE   7  -6.095   3.833   8.365
   60    HE1  PHE   7          1HE       PHE   7  -1.469   2.346   7.363
   61    HE2  PHE   7          2HE       PHE   7  -4.312   4.077  10.075
   62    HZ   PHE   7           HZ       PHE   7  -2.002   3.331   9.573
   63    H    LEU   8           H        LEU   8  -5.216   3.191   2.959
   64    HA   LEU   8           HA       LEU   8  -2.583   4.187   3.192
   65    HB2  LEU   8          2HB       LEU   8  -4.205   3.160   0.872
   66    HB3  LEU   8          1HB       LEU   8  -2.578   3.791   0.628
   67    HG   LEU   8           HG       LEU   8  -3.080   1.720   2.761
   68   HD11  LEU   8          1HD1      LEU   8  -4.065   0.862   0.661
   69   HD12  LEU   8          2HD1      LEU   8  -2.608  -0.028   1.092
   70   HD13  LEU   8          3HD1      LEU   8  -2.555   1.191  -0.182
   71   HD21  LEU   8          1HD2      LEU   8  -0.849   3.096   2.229
   72   HD22  LEU   8          2HD2      LEU   8  -0.657   1.864   0.986
   73   HD23  LEU   8          3HD2      LEU   8  -0.783   1.397   2.682
   74    H    LEU   9           H        LEU   9  -5.447   5.442   1.542
   75    HA   LEU   9           HA       LEU   9  -4.212   7.647   0.288
   76    HB2  LEU   9          2HB       LEU   9  -6.625   6.591   0.057
   77    HB3  LEU   9          1HB       LEU   9  -7.034   7.809   1.266
   78    HG   LEU   9           HG       LEU   9  -5.652   8.380  -1.372
   79   HD11  LEU   9          1HD1      LEU   9  -8.510   8.873  -0.496
   80   HD12  LEU   9          2HD1      LEU   9  -7.991   7.630  -1.634
   81   HD13  LEU   9          3HD1      LEU   9  -7.810   9.334  -2.047
   82   HD21  LEU   9          1HD2      LEU   9  -5.025  10.171  -0.023
   83   HD22  LEU   9          2HD2      LEU   9  -6.468  10.057   0.984
   84   HD23  LEU   9          3HD2      LEU   9  -6.571  10.760  -0.634
   85    H    SER  10           H        SER  10  -5.801   7.325   3.468
   86    HA   SER  10           HA       SER  10  -5.619  10.025   4.244
   87    HB2  SER  10          2HB       SER  10  -5.581   7.560   5.989
   88    HB3  SER  10          1HB       SER  10  -5.887   9.203   6.542
   89    HG   SER  10           HG       SER  10  -7.422   8.581   4.409
   90    H    LYS  11           H        LYS  11  -3.329   7.331   4.631
   91    HA   LYS  11           HA       LYS  11  -1.477   8.877   6.175
   92    HB2  LYS  11          2HB       LYS  11  -1.109   6.336   4.572
   93    HB3  LYS  11          1HB       LYS  11   0.134   7.035   5.606
   94    HG2  LYS  11          2HG       LYS  11  -2.626   6.259   6.594
   95    HG3  LYS  11          1HG       LYS  11  -1.220   5.202   6.700
   96    HD2  LYS  11          2HD       LYS  11  -0.086   7.242   7.889
   97    HD3  LYS  11          1HD       LYS  11  -1.741   7.796   8.141
   98    HE2  LYS  11          2HE       LYS  11  -2.311   5.691   9.251
   99    HE3  LYS  11          1HE       LYS  11  -0.675   5.090   8.979
  100    HZ1  LYS  11          1HZ       LYS  11   0.196   6.855  10.336
  101    HZ2  LYS  11          2HZ       LYS  11  -0.995   6.020  11.214
  102    HZ3  LYS  11          3HZ       LYS  11  -1.346   7.533  10.528
  103    H    GLY  12           H        GLY  12  -1.709   8.105   2.702
  104    HA2  GLY  12          2HA       GLY  12  -0.343  10.539   2.017
  105    HA3  GLY  12          1HA       GLY  12   0.663   9.121   1.760
  106    H    ARG  13           H        ARG  13  -0.066  10.785  -0.338
  107    HA   ARG  13           HA       ARG  13  -2.300   9.534  -1.734
  108    HB2  ARG  13          2HB       ARG  13  -1.944  11.981  -1.877
  109    HB3  ARG  13          1HB       ARG  13  -0.396  11.687  -2.671
  110    HG2  ARG  13          2HG       ARG  13  -1.553  10.476  -4.485
  111    HG3  ARG  13          1HG       ARG  13  -3.103  10.780  -3.696
  112    HD2  ARG  13          2HD       ARG  13  -2.636  13.237  -3.861
  113    HD3  ARG  13          1HD       ARG  13  -1.192  12.861  -4.792
  114    HE   ARG  13           HE       ARG  13  -3.954  12.637  -5.706
  115   HH11  ARG  13          1HH1      ARG  13  -4.182  12.261  -7.923
  116   HH12  ARG  13          2HH1      ARG  13  -2.798  11.822  -8.871
  117   HH21  ARG  13          1HH2      ARG  13  -0.612  11.885  -6.174
  118   HH22  ARG  13          2HH2      ARG  13  -0.768  11.607  -7.876
  119    H    ALA  14           H        ALA  14   1.201   9.559  -1.765
  120    HA   ALA  14           HA       ALA  14   1.634   8.340  -4.269
  121    HB1  ALA  14          1HB       ALA  14   3.185   8.454  -1.694
  122    HB2  ALA  14          2HB       ALA  14   3.552   9.222  -3.237
  123    HB3  ALA  14          3HB       ALA  14   3.762   7.479  -3.047
  124    H    LEU  15           H        LEU  15   1.057   7.003  -1.030
  125    HA   LEU  15           HA       LEU  15   1.469   4.299  -1.644
  126    HB2  LEU  15          2HB       LEU  15  -0.536   5.434   0.330
  127    HB3  LEU  15          1HB       LEU  15   0.258   3.866   0.392
  128    HG   LEU  15           HG       LEU  15   1.748   6.494   0.491
  129   HD11  LEU  15          1HD1      LEU  15   0.694   4.720   2.694
  130   HD12  LEU  15          2HD1      LEU  15   0.474   6.455   2.486
  131   HD13  LEU  15          3HD1      LEU  15   2.054   5.817   2.944
  132   HD21  LEU  15          1HD2      LEU  15   2.492   3.586   0.753
  133   HD22  LEU  15          2HD2      LEU  15   3.473   4.841   1.505
  134   HD23  LEU  15          3HD2      LEU  15   3.241   4.837  -0.238
  135    H    TYR  16           H        TYR  16  -1.427   6.342  -1.805
  136    HA   TYR  16           HA       TYR  16  -3.310   4.367  -2.508
  137    HB2  TYR  16          2HB       TYR  16  -3.976   6.584  -1.719
  138    HB3  TYR  16          1HB       TYR  16  -3.264   7.330  -3.146
  139    HD1  TYR  16          1HD       TYR  16  -4.666   7.813  -4.921
  140    HD2  TYR  16          2HD       TYR  16  -5.678   4.607  -2.257
  141    HE1  TYR  16          1HE       TYR  16  -6.792   7.481  -6.140
  142    HE2  TYR  16          2HE       TYR  16  -7.807   4.267  -3.471
  143    HH   TYR  16           HH       TYR  16  -8.797   4.728  -5.634
  144    H    ASN  17           H        ASN  17  -1.295   6.503  -4.500
  145    HA   ASN  17           HA       ASN  17  -2.259   5.649  -7.017
  146    HB2  ASN  17          2HB       ASN  17   0.324   6.887  -6.099
  147    HB3  ASN  17          1HB       ASN  17   0.075   6.434  -7.784
  148   HD21  ASN  17          1HD2      ASN  17   0.378   9.181  -7.031
  149   HD22  ASN  17          2HD2      ASN  17  -1.102   9.969  -7.286
  150    H    TRP  18           H        TRP  18   0.436   4.493  -5.008
  151    HA   TRP  18           HA       TRP  18   1.492   2.592  -6.769
  152    HB2  TRP  18          2HB       TRP  18   2.722   3.151  -4.788
  153    HB3  TRP  18          1HB       TRP  18   1.373   2.693  -3.744
  154    HD1  TRP  18           HD       TRP  18   1.023   0.161  -3.216
  155    HE1  TRP  18          1HE       TRP  18   2.447  -1.946  -3.644
  156    HE3  TRP  18          3HE       TRP  18   4.426   2.064  -6.508
  157    HZ2  TRP  18          2HZ       TRP  18   4.728  -2.721  -5.198
  158    HZ3  TRP  18          3HZ       TRP  18   6.210   0.626  -7.449
  159    HH2  TRP  18           HH       TRP  18   6.365  -1.760  -6.798
  160    H    ALA  19           H        ALA  19  -1.036   2.249  -4.286
  161    HA   ALA  19           HA       ALA  19  -1.488  -0.508  -4.604
  162    HB1  ALA  19          1HB       ALA  19  -3.721  -0.007  -3.565
  163    HB2  ALA  19          2HB       ALA  19  -3.335   1.711  -3.688
  164    HB3  ALA  19          3HB       ALA  19  -2.352   0.656  -2.672
  165    H    LYS  20           H        LYS  20  -2.979   2.301  -6.150
  166    HA   LYS  20           HA       LYS  20  -4.924   0.912  -7.641
  167    HB2  LYS  20          2HB       LYS  20  -4.908   3.372  -7.284
  168    HB3  LYS  20          1HB       LYS  20  -3.520   3.493  -8.368
  169    HG2  LYS  20          2HG       LYS  20  -4.829   2.513 -10.192
  170    HG3  LYS  20          1HG       LYS  20  -6.212   2.322  -9.114
  171    HD2  LYS  20          2HD       LYS  20  -6.292   4.768  -8.784
  172    HD3  LYS  20          1HD       LYS  20  -4.920   4.959  -9.879
  173    HE2  LYS  20          2HE       LYS  20  -6.226   3.906 -11.696
  174    HE3  LYS  20          1HE       LYS  20  -7.599   3.740 -10.602
  175    HZ1  LYS  20          1HZ       LYS  20  -6.782   5.994 -12.098
  176    HZ2  LYS  20          2HZ       LYS  20  -6.783   6.376 -10.442
  177    HZ3  LYS  20          3HZ       LYS  20  -8.191   5.778 -11.179
  178    H    SER  21           H        SER  21  -1.617   1.902  -8.435
  179    HA   SER  21           HA       SER  21  -1.575   1.023 -11.104
  180    HB2  SER  21          2HB       SER  21   0.104   2.527 -10.138
  181    HB3  SER  21          1HB       SER  21   0.698   1.217  -9.121
  182    HG   SER  21           HG       SER  21   1.915   1.408 -11.038
  183    H    HIS  22           H        HIS  22  -0.686  -0.672  -8.101
  184    HA   HIS  22           HA       HIS  22  -0.823  -3.216  -9.607
  185    HB2  HIS  22          2HB       HIS  22   1.362  -2.295  -7.742
  186    HB3  HIS  22          1HB       HIS  22   1.095  -3.996  -8.120
  187    HD1  HIS  22          1HD       HIS  22   2.002  -0.717  -9.787
  188    HD2  HIS  22          2HD       HIS  22   2.014  -4.797 -10.637
  189    HE1  HIS  22          1HE       HIS  22   3.248  -0.991 -11.975
  190    HE2  HIS  22          2HE       HIS  22   3.256  -3.473 -12.513
  191    H    VAL  23           H        VAL  23  -2.891  -3.571  -8.729
  192    HA   VAL  23           HA       VAL  23  -3.432  -3.496  -5.932
  193    HB   VAL  23           HB       VAL  23  -5.499  -4.715  -6.535
  194   HG11  VAL  23          1HG1      VAL  23  -6.248  -2.991  -8.321
  195   HG12  VAL  23          2HG1      VAL  23  -4.618  -2.338  -8.170
  196   HG13  VAL  23          3HG1      VAL  23  -5.687  -2.373  -6.768
  197   HG21  VAL  23          1HG2      VAL  23  -4.538  -6.168  -8.289
  198   HG22  VAL  23          2HG2      VAL  23  -4.262  -4.757  -9.311
  199   HG23  VAL  23          3HG2      VAL  23  -5.908  -5.252  -8.914
  200    H    GLY  24           H        GLY  24  -2.082  -5.876  -8.076
  201    HA2  GLY  24          2HA       GLY  24  -2.559  -8.220  -6.606
  202    HA3  GLY  24          1HA       GLY  24  -1.217  -7.971  -7.713
  203    H    LYS  25           H        LYS  25   0.160  -5.917  -6.428
  204    HA   LYS  25           HA       LYS  25   1.638  -7.389  -4.540
  205    HB2  LYS  25          2HB       LYS  25   1.585  -4.407  -5.089
  206    HB3  LYS  25          1HB       LYS  25   2.806  -5.241  -4.154
  207    HG2  LYS  25          2HG       LYS  25   2.164  -5.972  -6.996
  208    HG3  LYS  25          1HG       LYS  25   3.447  -4.849  -6.546
  209    HD2  LYS  25          2HD       LYS  25   4.231  -6.821  -4.960
  210    HD3  LYS  25          1HD       LYS  25   3.269  -7.811  -6.062
  211    HE2  LYS  25          2HE       LYS  25   5.369  -7.848  -7.074
  212    HE3  LYS  25          1HE       LYS  25   4.554  -6.547  -7.935
  213    HZ1  LYS  25          1HZ       LYS  25   6.928  -6.228  -6.881
  214    HZ2  LYS  25          2HZ       LYS  25   6.017  -5.860  -5.495
  215    HZ3  LYS  25          3HZ       LYS  25   5.803  -4.962  -6.921
  216    H    VAL  26           H        VAL  26  -0.933  -5.002  -4.125
  217    HA   VAL  26           HA       VAL  26  -0.718  -4.751  -1.294
  218    HB   VAL  26           HB       VAL  26  -3.033  -4.315  -3.196
  219   HG11  VAL  26          1HG1      VAL  26  -4.012  -3.008  -1.270
  220   HG12  VAL  26          2HG1      VAL  26  -2.779  -3.724  -0.231
  221   HG13  VAL  26          3HG1      VAL  26  -3.978  -4.754  -1.016
  222   HG21  VAL  26          1HG2      VAL  26  -1.347  -2.282  -1.708
  223   HG22  VAL  26          2HG2      VAL  26  -2.462  -1.991  -3.044
  224   HG23  VAL  26          3HG2      VAL  26  -0.947  -2.843  -3.332
  225    H    TRP  27           H        TRP  27  -2.654  -6.765  -3.444
  226    HA   TRP  27           HA       TRP  27  -4.164  -8.142  -1.529
  227    HB2  TRP  27          2HB       TRP  27  -3.165  -8.932  -4.262
  228    HB3  TRP  27          1HB       TRP  27  -4.172  -9.993  -3.279
  229    HD1  TRP  27           HD       TRP  27  -4.960  -6.381  -2.801
  230    HE1  TRP  27          1HE       TRP  27  -7.155  -5.790  -4.010
  231    HE3  TRP  27          3HE       TRP  27  -5.617 -10.621  -5.566
  232    HZ2  TRP  27          2HZ       TRP  27  -8.947  -6.950  -5.905
  233    HZ3  TRP  27          3HZ       TRP  27  -7.578 -10.851  -7.065
  234    HH2  TRP  27           HH       TRP  27  -9.242  -9.022  -7.236
  235    H    GLU  28           H        GLU  28  -1.012  -8.841  -2.950
  236    HA   GLU  28           HA       GLU  28  -0.370 -11.275  -1.869
  237    HB2  GLU  28          2HB       GLU  28   0.990 -10.154  -3.555
  238    HB3  GLU  28          1HB       GLU  28   1.394  -8.869  -2.438
  239    HG2  GLU  28          2HG       GLU  28   3.271 -10.332  -2.547
  240    HG3  GLU  28          1HG       GLU  28   2.519 -10.584  -0.980
  241    H    TRP  29           H        TRP  29   0.332  -8.008  -0.389
  242    HA   TRP  29           HA       TRP  29   1.347  -9.406   1.962
  243    HB2  TRP  29          2HB       TRP  29   0.714  -6.492   1.570
  244    HB3  TRP  29          1HB       TRP  29   1.498  -7.173   3.004
  245    HD1  TRP  29           HD       TRP  29   3.671  -8.945   2.239
  246    HE1  TRP  29          1HE       TRP  29   5.499  -8.440   0.482
  247    HE3  TRP  29          3HE       TRP  29   1.398  -5.183  -0.297
  248    HZ2  TRP  29          2HZ       TRP  29   5.918  -6.665  -1.720
  249    HZ3  TRP  29          3HZ       TRP  29   2.496  -4.128  -2.210
  250    HH2  TRP  29           HH       TRP  29   4.756  -4.856  -2.935
  251    H    LEU  30           H        LEU  30  -1.784  -8.053   1.108
  252    HA   LEU  30           HA       LEU  30  -2.890  -8.077   3.705
  253    HB2  LEU  30          2HB       LEU  30  -4.055  -8.377   0.949
  254    HB3  LEU  30          1HB       LEU  30  -5.077  -8.596   2.368
  255    HG   LEU  30           HG       LEU  30  -3.357  -6.144   1.882
  256   HD11  LEU  30          1HD1      LEU  30  -6.358  -6.352   1.536
  257   HD12  LEU  30          2HD1      LEU  30  -5.234  -6.555   0.191
  258   HD13  LEU  30          3HD1      LEU  30  -5.300  -5.025   1.061
  259   HD21  LEU  30          1HD2      LEU  30  -5.309  -5.346   3.577
  260   HD22  LEU  30          2HD2      LEU  30  -3.797  -6.034   4.149
  261   HD23  LEU  30          3HD2      LEU  30  -5.235  -7.047   4.037
  262    H    LYS  31           H        LYS  31  -2.639 -10.626   1.237
  263    HA   LYS  31           HA       LYS  31  -4.008 -12.630   2.702
  264    HB2  LYS  31          2HB       LYS  31  -3.545 -12.762   0.267
  265    HB3  LYS  31          1HB       LYS  31  -1.833 -12.981   0.629
  266    HG2  LYS  31          2HG       LYS  31  -2.368 -15.023   1.916
  267    HG3  LYS  31          1HG       LYS  31  -4.078 -14.804   1.543
  268    HD2  LYS  31          2HD       LYS  31  -3.593 -15.010  -0.863
  269    HD3  LYS  31          1HD       LYS  31  -1.877 -15.214  -0.508
  270    HE2  LYS  31          2HE       LYS  31  -2.919 -17.406  -0.859
  271    HE3  LYS  31          1HE       LYS  31  -2.428 -17.246   0.828
  272    HZ1  LYS  31          1HZ       LYS  31  -5.043 -16.219   0.400
  273    HZ2  LYS  31          2HZ       LYS  31  -4.519 -17.407   1.496
  274    HZ3  LYS  31          3HZ       LYS  31  -4.945 -17.838  -0.093
  275    H    SER  32           H        SER  32  -0.589 -11.760   2.428
  276    HA   SER  32           HA       SER  32   0.501 -13.829   3.985
  277    HB2  SER  32          2HB       SER  32   1.465 -10.983   3.659
  278    HB3  SER  32          1HB       SER  32   2.425 -12.322   4.279
  279    HG   SER  32           HG       SER  32   2.632 -11.838   1.972
  280    H    GLY  33           H        GLY  33  -0.776 -10.653   4.918
  281    HA2  GLY  33          2HA       GLY  33  -1.962 -10.441   7.023
  282    HA3  GLY  33          1HA       GLY  33  -0.826 -11.577   7.736
  283    H    ALA  34           H        ALA  34   0.574  -9.267   5.624
  284    HA   ALA  34           HA       ALA  34   2.158  -8.144   7.694
  285    HB1  ALA  34          1HB       ALA  34   3.323  -7.155   6.001
  286    HB2  ALA  34          2HB       ALA  34   1.867  -6.567   5.195
  287    HB3  ALA  34          3HB       ALA  34   2.379  -8.244   4.983
  288    H    THR  35           H        THR  35   2.136  -6.005   8.548
  289    HA   THR  35           HA       THR  35  -0.508  -5.018   9.095
  290    HB   THR  35           HB       THR  35   0.799  -3.182  10.300
  291    HG1  THR  35          1HG       THR  35   3.018  -3.736  10.596
  292   HG21  THR  35          1HG2      THR  35   1.351  -4.664  12.141
  293   HG22  THR  35          2HG2      THR  35   1.442  -6.049  11.050
  294   HG23  THR  35          3HG2      THR  35  -0.110  -5.266  11.356
  295    H    TYR  36           H        TYR  36  -1.262  -2.855   8.706
  296    HA   TYR  36           HA       TYR  36  -0.990  -2.025   6.036
  297    HB2  TYR  36          2HB       TYR  36  -1.958  -0.322   8.341
  298    HB3  TYR  36          1HB       TYR  36  -2.348  -0.127   6.631
  299    HD1  TYR  36          1HD       TYR  36  -3.150  -2.535   5.554
  300    HD2  TYR  36          2HD       TYR  36  -3.679  -1.248   9.615
  301    HE1  TYR  36          1HE       TYR  36  -5.062  -4.079   5.784
  302    HE2  TYR  36          2HE       TYR  36  -5.602  -2.801   9.849
  303    HH   TYR  36           HH       TYR  36  -6.816  -4.648   7.079
  304    H    GLU  37           H        GLU  37   0.479  -0.842   9.014
  305    HA   GLU  37           HA       GLU  37   1.758   1.394   7.917
  306    HB2  GLU  37          2HB       GLU  37   1.486   1.031  10.329
  307    HB3  GLU  37          1HB       GLU  37   2.621  -0.321  10.243
  308    HG2  GLU  37          2HG       GLU  37   4.385   1.190   9.446
  309    HG3  GLU  37          1HG       GLU  37   3.254   2.543   9.489
  310    H    GLN  38           H        GLN  38   2.966  -1.910   8.449
  311    HA   GLN  38           HA       GLN  38   5.558  -1.536   7.440
  312    HB2  GLN  38          2HB       GLN  38   4.989  -3.485   8.716
  313    HB3  GLN  38          1HB       GLN  38   3.772  -3.965   7.536
  314    HG2  GLN  38          2HG       GLN  38   5.473  -4.365   5.868
  315    HG3  GLN  38          1HG       GLN  38   6.726  -3.718   6.929
  316   HE21  GLN  38          1HE2      GLN  38   5.476  -6.593   5.852
  317   HE22  GLN  38          2HE2      GLN  38   5.892  -7.587   7.163
  318    H    ILE  39           H        ILE  39   2.539  -2.452   5.820
  319    HA   ILE  39           HA       ILE  39   3.595  -2.967   3.276
  320    HB   ILE  39           HB       ILE  39   0.884  -1.999   4.177
  321   HG12  ILE  39          2HG1      ILE  39   1.748  -4.687   3.090
  322   HG13  ILE  39          1HG1      ILE  39   1.781  -4.308   4.810
  323   HG21  ILE  39          1HG2      ILE  39   0.933  -1.289   1.940
  324   HG22  ILE  39          2HG2      ILE  39   0.260  -2.918   1.815
  325   HG23  ILE  39          3HG2      ILE  39   1.960  -2.632   1.437
  326   HD11  ILE  39          1HD1      ILE  39  -0.334  -5.469   3.883
  327   HD12  ILE  39          2HD1      ILE  39  -0.720  -3.903   3.168
  328   HD13  ILE  39          3HD1      ILE  39  -0.567  -4.061   4.920
  329    H    LYS  40           H        LYS  40   2.281   0.156   4.646
  330    HA   LYS  40           HA       LYS  40   2.834   1.456   2.152
  331    HB2  LYS  40          2HB       LYS  40   2.750   3.643   3.282
  332    HB3  LYS  40          1HB       LYS  40   1.290   2.649   3.561
  333    HG2  LYS  40          2HG       LYS  40   2.057   2.031   5.764
  334    HG3  LYS  40          1HG       LYS  40   3.623   2.799   5.493
  335    HD2  LYS  40          2HD       LYS  40   2.463   4.991   5.210
  336    HD3  LYS  40          1HD       LYS  40   0.934   4.197   5.581
  337    HE2  LYS  40          2HE       LYS  40   1.684   3.649   7.810
  338    HE3  LYS  40          1HE       LYS  40   3.313   4.233   7.462
  339    HZ1  LYS  40          1HZ       LYS  40   1.603   6.293   6.824
  340    HZ2  LYS  40          2HZ       LYS  40   2.624   6.199   8.179
  341    HZ3  LYS  40          3HZ       LYS  40   1.011   5.671   8.287
  342    H    GLU  41           H        GLU  41   4.734   0.906   5.074
  343    HA   GLU  41           HA       GLU  41   6.781   2.729   4.572
  344    HB2  GLU  41          2HB       GLU  41   6.584   1.418   6.649
  345    HB3  GLU  41          1HB       GLU  41   7.029  -0.037   5.765
  346    HG2  GLU  41          2HG       GLU  41   9.032   0.761   6.830
  347    HG3  GLU  41          1HG       GLU  41   9.192   1.153   5.120
  348    H    TRP  42           H        TRP  42   6.414  -0.645   3.502
  349    HA   TRP  42           HA       TRP  42   8.844  -0.741   2.043
  350    HB2  TRP  42          2HB       TRP  42   6.249  -2.242   1.630
  351    HB3  TRP  42          1HB       TRP  42   7.788  -2.667   0.890
  352    HD1  TRP  42           HD       TRP  42   8.868  -1.588   4.130
  353    HE1  TRP  42          1HE       TRP  42   9.031  -3.537   5.798
  354    HE3  TRP  42          3HE       TRP  42   6.113  -5.083   1.656
  355    HZ2  TRP  42          2HZ       TRP  42   8.102  -6.229   6.062
  356    HZ3  TRP  42          3HZ       TRP  42   5.741  -7.324   2.637
  357    HH2  TRP  42           HH       TRP  42   6.737  -7.904   4.838
  358    H    ILE  43           H        ILE  43   5.546   0.148   1.138
  359    HA   ILE  43           HA       ILE  43   6.075   0.481  -1.621
  360    HB   ILE  43           HB       ILE  43   3.979   1.712   0.168
  361   HG12  ILE  43          2HG1      ILE  43   3.763  -0.479  -1.922
  362   HG13  ILE  43          1HG1      ILE  43   4.069  -0.815  -0.215
  363   HG21  ILE  43          1HG2      ILE  43   4.171   3.174  -1.720
  364   HG22  ILE  43          2HG2      ILE  43   2.819   2.100  -2.078
  365   HG23  ILE  43          3HG2      ILE  43   4.390   1.823  -2.832
  366   HD11  ILE  43          1HD1      ILE  43   1.625  -0.888  -0.928
  367   HD12  ILE  43          2HD1      ILE  43   1.736   0.860  -1.160
  368   HD13  ILE  43          3HD1      ILE  43   1.990   0.165   0.440
  369    H    GLU  44           H        GLU  44   6.159   2.905   1.016
  370    HA   GLU  44           HA       GLU  44   6.716   5.004  -0.778
  371    HB2  GLU  44          2HB       GLU  44   7.082   6.425   1.133
  372    HB3  GLU  44          1HB       GLU  44   5.659   5.413   1.418
  373    HG2  GLU  44          2HG       GLU  44   6.565   4.609   3.319
  374    HG3  GLU  44          1HG       GLU  44   7.970   4.021   2.440
  375    H    ASN  45           H        ASN  45   8.825   2.747   1.014
  376    HA   ASN  45           HA       ASN  45  11.257   4.101   0.472
  377    HB2  ASN  45          2HB       ASN  45  11.069   2.218   2.058
  378    HB3  ASN  45          1HB       ASN  45  10.707   1.135   0.716
  379   HD21  ASN  45          1HD2      ASN  45  12.675  -0.123   1.095
  380   HD22  ASN  45          2HD2      ASN  45  14.203   0.505   0.707
  381    H    ALA  46           H        ALA  46   9.388   1.663  -1.347
  382    HA   ALA  46           HA       ALA  46  11.238   1.338  -3.457
  383    HB1  ALA  46          1HB       ALA  46   8.243   0.960  -3.347
  384    HB2  ALA  46          2HB       ALA  46   9.484  -0.280  -3.172
  385    HB3  ALA  46          3HB       ALA  46   9.235   0.505  -4.733
  386    H    LEU  47           H        LEU  47   8.467   3.505  -3.033
  387    HA   LEU  47           HA       LEU  47   8.431   4.705  -5.555
  388    HB2  LEU  47          2HB       LEU  47   6.846   4.874  -3.441
  389    HB3  LEU  47          1HB       LEU  47   7.832   6.277  -3.070
  390    HG   LEU  47           HG       LEU  47   5.977   7.100  -4.319
  391   HD11  LEU  47          1HD1      LEU  47   8.309   7.854  -5.057
  392   HD12  LEU  47          2HD1      LEU  47   6.992   8.140  -6.185
  393   HD13  LEU  47          3HD1      LEU  47   8.092   6.791  -6.447
  394   HD21  LEU  47          1HD2      LEU  47   5.021   6.111  -6.203
  395   HD22  LEU  47          2HD2      LEU  47   5.520   4.698  -5.276
  396   HD23  LEU  47          3HD2      LEU  47   6.498   5.254  -6.633
  397    H    GLY  48           H        GLY  48  10.219   5.639  -2.582
  398    HA2  GLY  48          2HA       GLY  48  11.355   7.996  -3.630
  399    HA3  GLY  48          1HA       GLY  48  11.994   7.064  -2.278
  400    H    TRP  49           H        TRP  49  12.486   4.620  -3.608
  401    HA   TRP  49           HA       TRP  49  14.006   4.982  -5.995
  402    HB2  TRP  49          2HB       TRP  49  16.254   4.783  -5.107
  403    HB3  TRP  49          1HB       TRP  49  15.471   6.197  -4.400
  404    HD1  TRP  49           HD       TRP  49  14.478   5.900  -1.879
  405    HE1  TRP  49          1HE       TRP  49  15.321   4.437   0.069
  406    HE3  TRP  49          3HE       TRP  49  17.421   2.607  -4.450
  407    HZ2  TRP  49          2HZ       TRP  49  17.016   2.170   0.483
  408    HZ3  TRP  49          3HZ       TRP  49  18.637   0.811  -3.253
  409    HH2  TRP  49           HH       TRP  49  18.440   0.587  -0.792
  410    H    ARG  50           H        ARG  50  12.327   3.125  -5.937
  411    HA   ARG  50           HA       ARG  50  11.807   0.868  -5.645
  412    HB2  ARG  50          2HB       ARG  50  14.538   0.926  -6.942
  413    HB3  ARG  50          1HB       ARG  50  13.554  -0.533  -6.820
  414    HG2  ARG  50          2HG       ARG  50  11.724   0.591  -8.035
  415    HG3  ARG  50          1HG       ARG  50  12.704   2.052  -8.158
  416    HD2  ARG  50          2HD       ARG  50  14.408   0.800  -9.429
  417    HD3  ARG  50          1HD       ARG  50  13.422  -0.654  -9.313
  418    HE   ARG  50           HE       ARG  50  12.895   1.675 -10.999
  419   HH11  ARG  50          1HH1      ARG  50  11.275   1.340 -12.550
  420   HH12  ARG  50          2HH1      ARG  50  10.271  -0.070 -12.458
  421   HH21  ARG  50          1HH2      ARG  50  11.794  -1.296  -9.597
  422   HH22  ARG  50          2HH2      ARG  50  10.567  -1.561 -10.790
  Start of MODEL   20
    1    H    FME   1           H        FME   1 -12.044  -4.867   1.313
    2    HCN  FME   1           HF       FME   1 -11.841  -4.418   3.597
    3    HA   FME   1           HA       FME   1  -9.433  -3.918   0.845
    4    HB2  FME   1          1HB       FME   1 -11.709  -3.868  -1.135
    5    HB3  FME   1          2HB       FME   1 -10.814  -5.334  -0.721
    6    HG2  FME   1          1HG       FME   1  -8.706  -4.185  -1.374
    7    HG3  FME   1          2HG       FME   1  -9.652  -2.778  -1.863
    8    HE1  FME   1          1HE       FME   1  -7.609  -4.983  -3.450
    9    HE2  FME   1          2HE       FME   1  -8.051  -3.399  -4.081
   10    HE3  FME   1          3HE       FME   1  -8.313  -4.838  -5.066
   11    H    ALA   2           H        ALA   2 -12.594  -2.298   0.727
   12    HA   ALA   2           HA       ALA   2 -11.694   0.168  -0.309
   13    HB1  ALA   2          1HB       ALA   2 -13.777   1.065   0.759
   14    HB2  ALA   2          2HB       ALA   2 -14.017  -0.519   1.497
   15    HB3  ALA   2          3HB       ALA   2 -14.042  -0.344  -0.260
   16    H    GLY   3           H        GLY   3 -11.906  -1.090   2.980
   17    HA2  GLY   3          2HA       GLY   3 -11.277   1.306   4.341
   18    HA3  GLY   3          1HA       GLY   3 -11.039  -0.325   4.969
   19    H    LEU   4           H        LEU   4  -9.266  -1.329   3.068
   20    HA   LEU   4           HA       LEU   4  -6.779  -0.455   4.046
   21    HB2  LEU   4          2HB       LEU   4  -7.098  -2.684   3.104
   22    HB3  LEU   4          1HB       LEU   4  -7.465  -2.004   1.527
   23    HG   LEU   4           HG       LEU   4  -5.105  -2.908   1.826
   24   HD11  LEU   4          1HD1      LEU   4  -4.351  -1.478   0.233
   25   HD12  LEU   4          2HD1      LEU   4  -4.669  -0.040   1.203
   26   HD13  LEU   4          3HD1      LEU   4  -5.970  -0.804   0.311
   27   HD21  LEU   4          1HD2      LEU   4  -4.987  -1.864   4.194
   28   HD22  LEU   4          2HD2      LEU   4  -4.560  -0.371   3.364
   29   HD23  LEU   4          3HD2      LEU   4  -3.535  -1.798   3.187
   30    H    LEU   5           H        LEU   5  -8.461   0.260   0.995
   31    HA   LEU   5           HA       LEU   5  -6.437   1.879  -0.142
   32    HB2  LEU   5          2HB       LEU   5  -9.442   1.862  -0.501
   33    HB3  LEU   5          1HB       LEU   5  -8.352   2.827  -1.493
   34    HG   LEU   5           HG       LEU   5  -8.179  -0.182  -1.195
   35   HD11  LEU   5          1HD1      LEU   5  -9.211  -0.314  -3.392
   36   HD12  LEU   5          2HD1      LEU   5  -9.261   1.447  -3.519
   37   HD13  LEU   5          3HD1      LEU   5 -10.269   0.620  -2.331
   38   HD21  LEU   5          1HD2      LEU   5  -6.644   1.900  -2.723
   39   HD22  LEU   5          2HD2      LEU   5  -6.862   0.307  -3.449
   40   HD23  LEU   5          3HD2      LEU   5  -6.051   0.458  -1.893
   41    H    ARG   6           H        ARG   6  -9.258   2.694   1.893
   42    HA   ARG   6           HA       ARG   6  -8.974   5.488   1.867
   43    HB2  ARG   6          2HB       ARG   6 -10.941   4.239   2.794
   44    HB3  ARG   6          1HB       ARG   6  -9.945   3.800   4.189
   45    HG2  ARG   6          2HG       ARG   6  -9.546   6.493   4.185
   46    HG3  ARG   6          1HG       ARG   6 -11.135   6.442   3.437
   47    HD2  ARG   6          2HD       ARG   6 -11.945   5.054   5.342
   48    HD3  ARG   6          1HD       ARG   6 -10.355   5.211   6.092
   49    HE   ARG   6           HE       ARG   6 -10.868   7.420   6.650
   50   HH11  ARG   6          1HH1      ARG   6 -12.263   9.215   6.753
   51   HH12  ARG   6          2HH1      ARG   6 -13.754   9.196   5.870
   52   HH21  ARG   6          1HH2      ARG   6 -13.201   6.083   4.470
   53   HH22  ARG   6          2HH2      ARG   6 -14.273   7.438   4.573
   54    H    PHE   7           H        PHE   7  -7.612   3.042   4.034
   55    HA   PHE   7           HA       PHE   7  -6.348   4.774   5.832
   56    HB2  PHE   7          2HB       PHE   7  -6.680   2.317   6.127
   57    HB3  PHE   7          1HB       PHE   7  -5.444   2.031   4.909
   58    HD1  PHE   7          1HD       PHE   7  -3.126   2.170   5.431
   59    HD2  PHE   7          2HD       PHE   7  -6.068   3.542   8.242
   60    HE1  PHE   7          1HE       PHE   7  -1.362   2.386   7.157
   61    HE2  PHE   7          2HE       PHE   7  -4.310   3.754   9.975
   62    HZ   PHE   7           HZ       PHE   7  -1.958   3.180   9.440
   63    H    LEU   8           H        LEU   8  -5.148   3.217   2.850
   64    HA   LEU   8           HA       LEU   8  -2.522   4.223   3.078
   65    HB2  LEU   8          2HB       LEU   8  -4.127   3.188   0.746
   66    HB3  LEU   8          1HB       LEU   8  -2.507   3.845   0.510
   67    HG   LEU   8           HG       LEU   8  -3.219   1.575   2.408
   68   HD11  LEU   8          1HD1      LEU   8  -2.435   0.069   0.781
   69   HD12  LEU   8          2HD1      LEU   8  -1.571   1.331  -0.105
   70   HD13  LEU   8          3HD1      LEU   8  -3.335   1.246  -0.186
   71   HD21  LEU   8          1HD2      LEU   8  -0.779   3.206   2.036
   72   HD22  LEU   8          2HD2      LEU   8  -0.468   1.480   1.914
   73   HD23  LEU   8          3HD2      LEU   8  -1.226   2.143   3.357
   74    H    LEU   9           H        LEU   9  -5.399   5.501   1.499
   75    HA   LEU   9           HA       LEU   9  -4.188   7.704   0.253
   76    HB2  LEU   9          2HB       LEU   9  -6.457   6.891  -0.229
   77    HB3  LEU   9          1HB       LEU   9  -6.993   7.463   1.346
   78    HG   LEU   9           HG       LEU   9  -6.318   9.771   0.707
   79   HD11  LEU   9          1HD1      LEU   9  -6.050   9.950  -1.941
   80   HD12  LEU   9          2HD1      LEU   9  -5.433   8.309  -1.755
   81   HD13  LEU   9          3HD1      LEU   9  -4.651   9.641  -0.908
   82   HD21  LEU   9          1HD2      LEU   9  -8.270   8.259  -1.034
   83   HD22  LEU   9          2HD2      LEU   9  -8.087  10.006  -1.149
   84   HD23  LEU   9          3HD2      LEU   9  -8.620   9.275   0.368
   85    H    SER  10           H        SER  10  -5.702   7.417   3.470
   86    HA   SER  10           HA       SER  10  -5.458  10.132   4.181
   87    HB2  SER  10          2HB       SER  10  -5.716   9.327   6.499
   88    HB3  SER  10          1HB       SER  10  -6.883   8.578   5.408
   89    HG   SER  10           HG       SER  10  -4.539   7.211   5.502
   90    H    LYS  11           H        LYS  11  -3.242   7.385   4.482
   91    HA   LYS  11           HA       LYS  11  -1.322   8.879   6.007
   92    HB2  LYS  11          2HB       LYS  11  -1.069   6.331   4.402
   93    HB3  LYS  11          1HB       LYS  11   0.215   6.991   5.414
   94    HG2  LYS  11          2HG       LYS  11  -2.555   6.320   6.457
   95    HG3  LYS  11          1HG       LYS  11  -1.187   5.209   6.541
   96    HD2  LYS  11          2HD       LYS  11   0.036   7.219   7.701
   97    HD3  LYS  11          1HD       LYS  11  -1.587   7.822   7.982
   98    HE2  LYS  11          2HE       LYS  11  -0.655   5.067   8.796
   99    HE3  LYS  11          1HE       LYS  11  -0.739   6.452   9.877
  100    HZ1  LYS  11          1HZ       LYS  11  -2.735   4.885   9.782
  101    HZ2  LYS  11          2HZ       LYS  11  -3.080   5.624   8.290
  102    HZ3  LYS  11          3HZ       LYS  11  -3.029   6.555   9.707
  103    H    GLY  12           H        GLY  12  -1.615   8.109   2.555
  104    HA2  GLY  12          2HA       GLY  12  -0.199  10.489   1.797
  105    HA3  GLY  12          1HA       GLY  12   0.760   9.031   1.552
  106    H    ARG  13           H        ARG  13  -0.053  10.701  -0.566
  107    HA   ARG  13           HA       ARG  13  -2.328   9.446  -1.872
  108    HB2  ARG  13          2HB       ARG  13  -0.402  11.610  -2.715
  109    HB3  ARG  13          1HB       ARG  13  -1.734  11.037  -3.723
  110    HG2  ARG  13          2HG       ARG  13  -3.337  11.639  -1.946
  111    HG3  ARG  13          1HG       ARG  13  -2.000  12.223  -0.947
  112    HD2  ARG  13          2HD       ARG  13  -2.662  13.290  -3.705
  113    HD3  ARG  13          1HD       ARG  13  -3.170  14.051  -2.197
  114    HE   ARG  13           HE       ARG  13  -0.477  14.025  -3.306
  115   HH11  ARG  13          1HH1      ARG  13   1.027  15.309  -2.172
  116   HH12  ARG  13          2HH1      ARG  13   0.628  15.909  -0.598
  117   HH21  ARG  13          1HH2      ARG  13  -2.514  14.451  -0.541
  118   HH22  ARG  13          2HH2      ARG  13  -1.378  15.432   0.320
  119    H    ALA  14           H        ALA  14   1.170   9.408  -1.982
  120    HA   ALA  14           HA       ALA  14   1.499   8.141  -4.478
  121    HB1  ALA  14          1HB       ALA  14   3.224   9.254  -2.864
  122    HB2  ALA  14          2HB       ALA  14   3.732   7.920  -3.894
  123    HB3  ALA  14          3HB       ALA  14   3.366   7.640  -2.188
  124    H    LEU  15           H        LEU  15   1.091   6.806  -1.207
  125    HA   LEU  15           HA       LEU  15   1.493   4.097  -1.885
  126    HB2  LEU  15          2HB       LEU  15  -0.363   5.116   0.263
  127    HB3  LEU  15          1HB       LEU  15   0.522   3.598   0.222
  128    HG   LEU  15           HG       LEU  15   1.957   6.270   0.215
  129   HD11  LEU  15          1HD1      LEU  15   0.907   4.677   2.546
  130   HD12  LEU  15          2HD1      LEU  15   0.727   6.398   2.222
  131   HD13  LEU  15          3HD1      LEU  15   2.297   5.754   2.698
  132   HD21  LEU  15          1HD2      LEU  15   3.705   4.755   1.320
  133   HD22  LEU  15          2HD2      LEU  15   3.411   4.492  -0.393
  134   HD23  LEU  15          3HD2      LEU  15   2.714   3.401   0.803
  135    H    TYR  16           H        TYR  16  -1.387   6.148  -1.846
  136    HA   TYR  16           HA       TYR  16  -3.304   4.157  -2.390
  137    HB2  TYR  16          2HB       TYR  16  -3.978   6.360  -1.630
  138    HB3  TYR  16          1HB       TYR  16  -3.270   7.113  -3.057
  139    HD1  TYR  16          1HD       TYR  16  -4.458   7.228  -5.104
  140    HD2  TYR  16          2HD       TYR  16  -5.915   4.747  -1.915
  141    HE1  TYR  16          1HE       TYR  16  -6.568   6.868  -6.355
  142    HE2  TYR  16          2HE       TYR  16  -8.028   4.382  -3.164
  143    HH   TYR  16           HH       TYR  16  -8.744   6.152  -6.122
  144    H    ASN  17           H        ASN  17  -1.445   6.293  -4.538
  145    HA   ASN  17           HA       ASN  17  -2.589   5.425  -6.960
  146    HB2  ASN  17          2HB       ASN  17  -1.211   7.444  -6.778
  147    HB3  ASN  17          1HB       ASN  17   0.207   6.461  -6.414
  148   HD21  ASN  17          1HD2      ASN  17   1.414   6.898  -8.316
  149   HD22  ASN  17          2HD2      ASN  17   0.889   6.466  -9.870
  150    H    TRP  18           H        TRP  18   0.217   4.275  -5.136
  151    HA   TRP  18           HA       TRP  18   1.165   2.340  -6.926
  152    HB2  TRP  18          2HB       TRP  18   2.584   2.942  -5.134
  153    HB3  TRP  18          1HB       TRP  18   1.317   2.681  -3.936
  154    HD1  TRP  18           HD       TRP  18   0.961   0.281  -3.015
  155    HE1  TRP  18          1HE       TRP  18   2.228  -1.946  -3.308
  156    HE3  TRP  18          3HE       TRP  18   4.029   1.532  -6.896
  157    HZ2  TRP  18          2HZ       TRP  18   4.286  -3.050  -4.982
  158    HZ3  TRP  18          3HZ       TRP  18   5.637  -0.114  -7.816
  159    HH2  TRP  18           HH       TRP  18   5.771  -2.403  -6.867
  160    H    ALA  19           H        ALA  19  -1.168   2.051  -4.239
  161    HA   ALA  19           HA       ALA  19  -1.642  -0.705  -4.465
  162    HB1  ALA  19          1HB       ALA  19  -3.906  -0.043  -3.384
  163    HB2  ALA  19          2HB       ALA  19  -3.228   1.585  -3.342
  164    HB3  ALA  19          3HB       ALA  19  -2.422   0.273  -2.486
  165    H    LYS  20           H        LYS  20  -3.238   2.067  -5.989
  166    HA   LYS  20           HA       LYS  20  -5.299   0.612  -7.273
  167    HB2  LYS  20          2HB       LYS  20  -5.295   3.085  -7.000
  168    HB3  LYS  20          1HB       LYS  20  -3.994   3.192  -8.187
  169    HG2  LYS  20          2HG       LYS  20  -5.418   2.147  -9.882
  170    HG3  LYS  20          1HG       LYS  20  -6.717   1.959  -8.705
  171    HD2  LYS  20          2HD       LYS  20  -6.806   4.414  -8.423
  172    HD3  LYS  20          1HD       LYS  20  -5.526   4.590  -9.623
  173    HE2  LYS  20          2HE       LYS  20  -7.703   4.942 -10.688
  174    HE3  LYS  20          1HE       LYS  20  -6.963   3.468 -11.304
  175    HZ1  LYS  20          1HZ       LYS  20  -8.894   3.475  -9.055
  176    HZ2  LYS  20          2HZ       LYS  20  -8.352   2.144  -9.961
  177    HZ3  LYS  20          3HZ       LYS  20  -9.371   3.300 -10.673
  178    H    SER  21           H        SER  21  -2.079   1.635  -8.364
  179    HA   SER  21           HA       SER  21  -2.245   0.680 -11.006
  180    HB2  SER  21          2HB       SER  21   0.226   0.808 -10.976
  181    HB3  SER  21          1HB       SER  21  -0.526   2.255 -10.303
  182    HG   SER  21           HG       SER  21  -0.271   0.673  -8.282
  183    H    HIS  22           H        HIS  22  -1.101  -0.938  -8.031
  184    HA   HIS  22           HA       HIS  22  -1.154  -3.508  -9.512
  185    HB2  HIS  22          2HB       HIS  22   0.848  -2.525  -7.458
  186    HB3  HIS  22          1HB       HIS  22   0.693  -4.218  -7.935
  187    HD1  HIS  22          1HD       HIS  22   1.415  -0.814  -9.461
  188    HD2  HIS  22          2HD       HIS  22   1.933  -4.861 -10.310
  189    HE1  HIS  22          1HE       HIS  22   2.775  -0.932 -11.596
  190    HE2  HIS  22          2HE       HIS  22   3.086  -3.393 -12.135
  191    H    VAL  23           H        VAL  23  -3.282  -3.835  -8.772
  192    HA   VAL  23           HA       VAL  23  -4.033  -3.770  -6.030
  193    HB   VAL  23           HB       VAL  23  -6.016  -5.030  -6.782
  194   HG11  VAL  23          1HG1      VAL  23  -6.873  -3.338  -8.273
  195   HG12  VAL  23          2HG1      VAL  23  -5.256  -2.935  -8.843
  196   HG13  VAL  23          3HG1      VAL  23  -5.736  -2.531  -7.192
  197   HG21  VAL  23          1HG2      VAL  23  -4.805  -6.513  -8.384
  198   HG22  VAL  23          2HG2      VAL  23  -4.568  -5.129  -9.452
  199   HG23  VAL  23          3HG2      VAL  23  -6.193  -5.723  -9.133
  200    H    GLY  24           H        GLY  24  -2.371  -5.988  -8.035
  201    HA2  GLY  24          2HA       GLY  24  -2.811  -8.401  -6.650
  202    HA3  GLY  24          1HA       GLY  24  -1.408  -8.034  -7.651
  203    H    LYS  25           H        LYS  25  -0.434  -5.788  -6.217
  204    HA   LYS  25           HA       LYS  25   1.131  -7.064  -4.235
  205    HB2  LYS  25          2HB       LYS  25   0.630  -4.118  -4.739
  206    HB3  LYS  25          1HB       LYS  25   1.845  -4.738  -3.628
  207    HG2  LYS  25          2HG       LYS  25   1.787  -5.711  -6.469
  208    HG3  LYS  25          1HG       LYS  25   2.529  -4.164  -6.095
  209    HD2  LYS  25          2HD       LYS  25   4.018  -5.280  -4.445
  210    HD3  LYS  25          1HD       LYS  25   3.298  -6.835  -4.873
  211    HE2  LYS  25          2HE       LYS  25   5.333  -6.620  -6.146
  212    HE3  LYS  25          1HE       LYS  25   3.979  -6.413  -7.263
  213    HZ1  LYS  25          1HZ       LYS  25   5.502  -4.696  -7.715
  214    HZ2  LYS  25          2HZ       LYS  25   5.698  -4.310  -6.073
  215    HZ3  LYS  25          3HZ       LYS  25   4.234  -3.967  -6.862
  216    H    VAL  26           H        VAL  26  -1.750  -5.041  -4.064
  217    HA   VAL  26           HA       VAL  26  -1.920  -4.757  -1.267
  218    HB   VAL  26           HB       VAL  26  -4.040  -4.767  -3.409
  219   HG11  VAL  26          1HG1      VAL  26  -5.388  -3.597  -1.564
  220   HG12  VAL  26          2HG1      VAL  26  -4.192  -4.232  -0.435
  221   HG13  VAL  26          3HG1      VAL  26  -5.173  -5.339  -1.393
  222   HG21  VAL  26          1HG2      VAL  26  -2.264  -2.970  -3.398
  223   HG22  VAL  26          2HG2      VAL  26  -2.821  -2.506  -1.790
  224   HG23  VAL  26          3HG2      VAL  26  -3.903  -2.355  -3.177
  225    H    TRP  27           H        TRP  27  -3.294  -7.140  -3.484
  226    HA   TRP  27           HA       TRP  27  -4.663  -8.682  -1.549
  227    HB2  TRP  27          2HB       TRP  27  -3.598  -9.300  -4.302
  228    HB3  TRP  27          1HB       TRP  27  -4.373 -10.539  -3.317
  229    HD1  TRP  27           HD       TRP  27  -5.196  -8.146  -5.872
  230    HE1  TRP  27          1HE       TRP  27  -7.702  -7.549  -5.875
  231    HE3  TRP  27          3HE       TRP  27  -6.552  -9.968  -1.289
  232    HZ2  TRP  27          2HZ       TRP  27  -9.984  -7.816  -4.169
  233    HZ3  TRP  27          3HZ       TRP  27  -8.899  -9.786  -0.509
  234    HH2  TRP  27           HH       TRP  27 -10.612  -8.712  -1.943
  235    H    GLU  28           H        GLU  28  -1.374  -8.969  -2.893
  236    HA   GLU  28           HA       GLU  28  -0.615 -11.345  -1.655
  237    HB2  GLU  28          2HB       GLU  28   0.619  -9.889  -3.438
  238    HB3  GLU  28          1HB       GLU  28   1.338  -9.093  -2.036
  239    HG2  GLU  28          2HG       GLU  28   1.382 -12.090  -2.504
  240    HG3  GLU  28          1HG       GLU  28   2.719 -11.000  -2.889
  241    H    TRP  29           H        TRP  29  -0.294  -7.951  -0.446
  242    HA   TRP  29           HA       TRP  29   1.030  -8.813   1.941
  243    HB2  TRP  29          2HB       TRP  29  -0.630  -6.315   1.851
  244    HB3  TRP  29          1HB       TRP  29   0.809  -6.642   2.796
  245    HD1  TRP  29           HD       TRP  29  -0.132  -4.589   0.105
  246    HE1  TRP  29          1HE       TRP  29   1.779  -4.096  -1.548
  247    HE3  TRP  29          3HE       TRP  29   3.168  -8.220   1.498
  248    HZ2  TRP  29          2HZ       TRP  29   4.390  -5.104  -2.168
  249    HZ3  TRP  29          3HZ       TRP  29   5.349  -8.407   0.386
  250    HH2  TRP  29           HH       TRP  29   5.976  -6.871  -1.445
  251    H    LEU  30           H        LEU  30  -2.386  -8.280   1.116
  252    HA   LEU  30           HA       LEU  30  -3.347  -8.542   3.762
  253    HB2  LEU  30          2HB       LEU  30  -4.672  -9.106   1.104
  254    HB3  LEU  30          1HB       LEU  30  -5.522  -9.172   2.653
  255    HG   LEU  30           HG       LEU  30  -3.986  -6.755   1.672
  256   HD11  LEU  30          1HD1      LEU  30  -6.434  -5.873   1.469
  257   HD12  LEU  30          2HD1      LEU  30  -6.858  -7.580   1.375
  258   HD13  LEU  30          3HD1      LEU  30  -5.775  -6.879   0.174
  259   HD21  LEU  30          1HD2      LEU  30  -5.597  -7.415   4.107
  260   HD22  LEU  30          2HD2      LEU  30  -5.711  -5.777   3.474
  261   HD23  LEU  30          3HD2      LEU  30  -4.150  -6.422   3.961
  262    H    LYS  31           H        LYS  31  -2.774 -10.956   1.231
  263    HA   LYS  31           HA       LYS  31  -3.788 -13.185   2.639
  264    HB2  LYS  31          2HB       LYS  31  -3.212 -13.183   0.204
  265    HB3  LYS  31          1HB       LYS  31  -1.503 -13.134   0.647
  266    HG2  LYS  31          2HG       LYS  31  -1.693 -15.264   1.814
  267    HG3  LYS  31          1HG       LYS  31  -3.434 -15.304   1.530
  268    HD2  LYS  31          2HD       LYS  31  -2.999 -15.347  -0.929
  269    HD3  LYS  31          1HD       LYS  31  -1.267 -15.391  -0.596
  270    HE2  LYS  31          2HE       LYS  31  -3.279 -17.475   0.312
  271    HE3  LYS  31          1HE       LYS  31  -2.122 -17.665  -1.010
  272    HZ1  LYS  31          1HZ       LYS  31  -0.406 -17.030   0.769
  273    HZ2  LYS  31          2HZ       LYS  31  -1.030 -18.609   0.772
  274    HZ3  LYS  31          3HZ       LYS  31  -1.607 -17.462   1.884
  275    H    SER  32           H        SER  32  -0.539 -11.735   2.494
  276    HA   SER  32           HA       SER  32   0.757 -13.670   4.111
  277    HB2  SER  32          2HB       SER  32   2.515 -11.952   4.375
  278    HB3  SER  32          1HB       SER  32   1.999 -12.103   2.698
  279    HG   SER  32           HG       SER  32   2.150  -9.909   3.533
  280    H    GLY  33           H        GLY  33  -1.173 -10.840   4.856
  281    HA2  GLY  33          2HA       GLY  33  -2.299 -10.436   6.877
  282    HA3  GLY  33          1HA       GLY  33  -1.306 -11.667   7.647
  283    H    ALA  34           H        ALA  34   0.174  -9.168   5.715
  284    HA   ALA  34           HA       ALA  34   1.799  -8.324   7.928
  285    HB1  ALA  34          1HB       ALA  34   1.555  -7.586   5.041
  286    HB2  ALA  34          2HB       ALA  34   2.960  -8.167   5.932
  287    HB3  ALA  34          3HB       ALA  34   2.427  -6.501   6.121
  288    H    THR  35           H        THR  35   2.055  -5.887   8.308
  289    HA   THR  35           HA       THR  35  -0.571  -4.860   9.062
  290    HB   THR  35           HB       THR  35   0.596  -3.424  10.535
  291    HG1  THR  35          1HG       THR  35   2.459  -3.535   8.562
  292   HG21  THR  35          1HG2      THR  35   2.078  -4.892  11.744
  293   HG22  THR  35          2HG2      THR  35   2.397  -5.848  10.298
  294   HG23  THR  35          3HG2      THR  35   0.799  -5.887  11.044
  295    H    TYR  36           H        TYR  36  -1.301  -2.759   8.508
  296    HA   TYR  36           HA       TYR  36  -0.947  -1.978   5.829
  297    HB2  TYR  36          2HB       TYR  36  -1.974  -0.282   8.100
  298    HB3  TYR  36          1HB       TYR  36  -2.340  -0.095   6.384
  299    HD1  TYR  36          1HD       TYR  36  -3.096  -2.570   5.305
  300    HD2  TYR  36          2HD       TYR  36  -3.731  -1.196   9.328
  301    HE1  TYR  36          1HE       TYR  36  -4.997  -4.147   5.548
  302    HE2  TYR  36          2HE       TYR  36  -5.633  -2.775   9.568
  303    HH   TYR  36           HH       TYR  36  -6.459  -5.064   6.965
  304    H    GLU  37           H        GLU  37   0.456  -0.783   8.851
  305    HA   GLU  37           HA       GLU  37   1.788   1.447   7.732
  306    HB2  GLU  37          2HB       GLU  37   1.437   1.192  10.162
  307    HB3  GLU  37          1HB       GLU  37   2.524  -0.195  10.175
  308    HG2  GLU  37          2HG       GLU  37   4.381   1.217   9.432
  309    HG3  GLU  37          1HG       GLU  37   3.310   2.611   9.327
  310    H    GLN  38           H        GLN  38   3.021  -1.790   8.537
  311    HA   GLN  38           HA       GLN  38   5.612  -1.412   7.608
  312    HB2  GLN  38          2HB       GLN  38   4.771  -3.336   8.903
  313    HB3  GLN  38          1HB       GLN  38   3.975  -3.940   7.458
  314    HG2  GLN  38          2HG       GLN  38   6.157  -3.981   6.302
  315    HG3  GLN  38          1HG       GLN  38   6.942  -3.460   7.781
  316   HE21  GLN  38          1HE2      GLN  38   8.103  -5.335   8.340
  317   HE22  GLN  38          2HE2      GLN  38   7.375  -6.844   8.624
  318    H    ILE  39           H        ILE  39   2.708  -2.412   5.834
  319    HA   ILE  39           HA       ILE  39   4.012  -3.007   3.409
  320    HB   ILE  39           HB       ILE  39   1.168  -2.217   4.034
  321   HG12  ILE  39          2HG1      ILE  39   2.229  -4.949   3.350
  322   HG13  ILE  39          1HG1      ILE  39   2.327  -4.359   5.007
  323   HG21  ILE  39          1HG2      ILE  39   2.422  -3.433   1.545
  324   HG22  ILE  39          2HG2      ILE  39   1.661  -1.834   1.659
  325   HG23  ILE  39          3HG2      ILE  39   0.684  -3.289   1.839
  326   HD11  ILE  39          1HD1      ILE  39  -0.124  -3.881   4.912
  327   HD12  ILE  39          2HD1      ILE  39   0.247  -5.600   4.749
  328   HD13  ILE  39          3HD1      ILE  39  -0.182  -4.647   3.333
  329    H    LYS  40           H        LYS  40   2.436   0.110   4.540
  330    HA   LYS  40           HA       LYS  40   3.079   1.331   2.028
  331    HB2  LYS  40          2HB       LYS  40   2.887   3.563   3.141
  332    HB3  LYS  40          1HB       LYS  40   1.410   2.540   3.221
  333    HG2  LYS  40          2HG       LYS  40   1.844   1.929   5.497
  334    HG3  LYS  40          1HG       LYS  40   3.481   2.611   5.429
  335    HD2  LYS  40          2HD       LYS  40   2.538   4.858   5.090
  336    HD3  LYS  40          1HD       LYS  40   0.909   4.198   5.136
  337    HE2  LYS  40          2HE       LYS  40   2.808   3.758   7.428
  338    HE3  LYS  40          1HE       LYS  40   1.866   5.245   7.315
  339    HZ1  LYS  40          1HZ       LYS  40   0.854   3.320   8.610
  340    HZ2  LYS  40          2HZ       LYS  40   0.592   2.585   7.097
  341    HZ3  LYS  40          3HZ       LYS  40  -0.131   4.073   7.451
  342    H    GLU  41           H        GLU  41   4.766   0.900   5.075
  343    HA   GLU  41           HA       GLU  41   6.847   2.719   4.735
  344    HB2  GLU  41          2HB       GLU  41   6.504   1.419   6.804
  345    HB3  GLU  41          1HB       GLU  41   7.030  -0.035   5.955
  346    HG2  GLU  41          2HG       GLU  41   9.216   0.991   5.523
  347    HG3  GLU  41          1HG       GLU  41   8.693   2.468   6.312
  348    H    TRP  42           H        TRP  42   6.616  -0.697   3.683
  349    HA   TRP  42           HA       TRP  42   9.107  -0.814   2.364
  350    HB2  TRP  42          2HB       TRP  42   6.518  -2.255   1.702
  351    HB3  TRP  42          1HB       TRP  42   8.074  -2.632   0.983
  352    HD1  TRP  42           HD       TRP  42   9.775  -2.427   3.776
  353    HE1  TRP  42          1HE       TRP  42   9.540  -4.370   5.440
  354    HE3  TRP  42          3HE       TRP  42   5.347  -4.404   2.195
  355    HZ2  TRP  42          2HZ       TRP  42   7.711  -6.487   6.034
  356    HZ3  TRP  42          3HZ       TRP  42   4.365  -6.374   3.329
  357    HH2  TRP  42           HH       TRP  42   5.547  -7.421   5.249
  358    H    ILE  43           H        ILE  43   5.893   0.102   1.232
  359    HA   ILE  43           HA       ILE  43   6.558   0.437  -1.484
  360    HB   ILE  43           HB       ILE  43   4.393   1.687   0.203
  361   HG12  ILE  43          2HG1      ILE  43   4.273  -0.498  -1.888
  362   HG13  ILE  43          1HG1      ILE  43   4.449  -0.822  -0.166
  363   HG21  ILE  43          1HG2      ILE  43   4.811   1.761  -2.800
  364   HG22  ILE  43          2HG2      ILE  43   4.741   3.151  -1.714
  365   HG23  ILE  43          3HG2      ILE  43   3.297   2.184  -2.001
  366   HD11  ILE  43          1HD1      ILE  43   2.292  -0.059   0.324
  367   HD12  ILE  43          2HD1      ILE  43   2.048  -0.806  -1.258
  368   HD13  ILE  43          3HD1      ILE  43   2.203   0.948  -1.126
  369    H    GLU  44           H        GLU  44   6.466   2.868   1.118
  370    HA   GLU  44           HA       GLU  44   7.165   4.945  -0.634
  371    HB2  GLU  44          2HB       GLU  44   7.313   6.366   1.286
  372    HB3  GLU  44          1HB       GLU  44   5.913   5.303   1.463
  373    HG2  GLU  44          2HG       GLU  44   6.694   4.554   3.434
  374    HG3  GLU  44          1HG       GLU  44   8.174   3.999   2.677
  375    H    ASN  45           H        ASN  45   9.108   2.736   1.362
  376    HA   ASN  45           HA       ASN  45  11.562   4.099   1.054
  377    HB2  ASN  45          2HB       ASN  45  11.275   2.276   2.678
  378    HB3  ASN  45          1HB       ASN  45  11.027   1.131   1.370
  379   HD21  ASN  45          1HD2      ASN  45  13.490   3.452   2.607
  380   HD22  ASN  45          2HD2      ASN  45  14.818   2.562   2.040
  381    H    ALA  46           H        ALA  46   9.951   1.600  -0.937
  382    HA   ALA  46           HA       ALA  46  12.064   1.258  -2.794
  383    HB1  ALA  46          1HB       ALA  46   9.078   0.870  -3.174
  384    HB2  ALA  46          2HB       ALA  46  10.210  -0.349  -2.585
  385    HB3  ALA  46          3HB       ALA  46  10.340   0.250  -4.240
  386    H    LEU  47           H        LEU  47   9.239   3.392  -2.698
  387    HA   LEU  47           HA       LEU  47   9.529   4.534  -5.250
  388    HB2  LEU  47          2HB       LEU  47   8.002   4.964  -2.801
  389    HB3  LEU  47          1HB       LEU  47   8.468   6.503  -3.496
  390    HG   LEU  47           HG       LEU  47   7.541   5.669  -5.712
  391   HD11  LEU  47          1HD1      LEU  47   7.617   3.274  -5.269
  392   HD12  LEU  47          2HD1      LEU  47   5.934   3.752  -5.508
  393   HD13  LEU  47          3HD1      LEU  47   6.547   3.470  -3.879
  394   HD21  LEU  47          1HD2      LEU  47   5.555   5.692  -3.431
  395   HD22  LEU  47          2HD2      LEU  47   5.244   6.134  -5.109
  396   HD23  LEU  47          3HD2      LEU  47   6.284   7.149  -4.107
  397    H    GLY  48           H        GLY  48  10.854   5.548  -2.073
  398    HA2  GLY  48          2HA       GLY  48  12.151   7.876  -2.981
  399    HA3  GLY  48          1HA       GLY  48  12.622   6.936  -1.572
  400    H    TRP  49           H        TRP  49  13.229   4.496  -2.773
  401    HA   TRP  49           HA       TRP  49  15.896   4.910  -3.640
  402    HB2  TRP  49          2HB       TRP  49  14.116   2.477  -3.878
  403    HB3  TRP  49          1HB       TRP  49  15.847   2.490  -4.216
  404    HD1  TRP  49           HD       TRP  49  15.285   4.808  -1.454
  405    HE1  TRP  49          1HE       TRP  49  15.820   3.712   0.808
  406    HE3  TRP  49          3HE       TRP  49  15.489  -0.093  -2.875
  407    HZ2  TRP  49          2HZ       TRP  49  16.269   1.096   1.887
  408    HZ3  TRP  49          3HZ       TRP  49  15.968  -1.865  -1.211
  409    HH2  TRP  49           HH       TRP  49  16.359  -1.278   1.165
  410    H    ARG  50           H        ARG  50  12.912   4.257  -5.424
  411    HA   ARG  50           HA       ARG  50  14.137   5.338  -7.823
  412    HB2  ARG  50          2HB       ARG  50  13.601   3.385  -9.212
  413    HB3  ARG  50          1HB       ARG  50  14.768   2.963  -7.957
  414    HG2  ARG  50          2HG       ARG  50  12.949   2.053  -6.569
  415    HG3  ARG  50          1HG       ARG  50  11.778   2.486  -7.811
  416    HD2  ARG  50          2HD       ARG  50  12.938   1.011  -9.417
  417    HD3  ARG  50          1HD       ARG  50  14.093   0.567  -8.164
  418    HE   ARG  50           HE       ARG  50  12.443  -0.748  -7.151
  419   HH11  ARG  50          1HH1      ARG  50  10.512  -1.889  -7.274
  420   HH12  ARG  50          2HH1      ARG  50   9.300  -1.432  -8.424
  421   HH21  ARG  50          1HH2      ARG  50  11.207   1.146  -9.777
  422   HH22  ARG  50          2HH2      ARG  50   9.696   0.301  -9.852