*HEADER    RIBOSOMAL PROTEIN                       15-OCT-01   1GO0
*TITLE     NMR STRUCTURE OF RIBOSOMAL PROTEIN L30E FROM THERMOCOCCUS
*TITLE    2 CELER.
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: 50S RIBOSOMAL PROTEIN L30E;
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: THERMOCOCCUS CELER;
*SOURCE   3 ATCC: 35543;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: C41;
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PRSET-A
*KEYWDS    RIBOSOMAL PROTEIN, RNA-BINDING, RIBOSOME, THERMOPHILIC
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    S.H.CHAN,M.BYCROFT,S.M.V.FREUND,K.B.WONG
*REVDAT   1   17-OCT-02 1GO0    0


!!Restraint file created by talos2xplor.pl 
!!phi/psi angles predicted from TALOS using errfactor=1.5 

!! A 4 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 103 and name c ) (resid 104 and name n) 
	(resid 104 and name ca) (resid 104 and name c) 1.0 -64.0 6.0 2 
assign 	(resid 104 and name n ) (resid 104 and name ca) 
	(resid 104 and name c ) (resid 105 and name n) 1.0 -39.0 10.5 2 
!! F 5 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 104 and name c ) (resid 105 and name n) 
	(resid 105 and name ca) (resid 105 and name c) 1.0 -70.0 15.0 2 
assign 	(resid 105 and name n ) (resid 105 and name ca) 
	(resid 105 and name c ) (resid 106 and name n) 1.0 -29.0 25.5 2 
!! E 6 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 105 and name c ) (resid 106 and name n) 
	(resid 106 and name ca) (resid 106 and name c) 1.0 -73.0 27.0 2 
assign 	(resid 106 and name n ) (resid 106 and name ca) 
	(resid 106 and name c ) (resid 107 and name n) 1.0 -25.0 27.0 2 
!! L 7 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 106 and name c ) (resid 107 and name n) 
	(resid 107 and name ca) (resid 107 and name c) 1.0 -70.0 15.0 2 
assign 	(resid 107 and name n ) (resid 107 and name ca) 
	(resid 107 and name c ) (resid 108 and name n) 1.0 -30.0 16.5 2 
!! R 8 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 107 and name c ) (resid 108 and name n) 
	(resid 108 and name ca) (resid 108 and name c) 1.0 -68.7 11.9 2 
assign 	(resid 108 and name n ) (resid 108 and name ca) 
	(resid 108 and name c ) (resid 109 and name n) 1.0 -27.9 22.2 2 
!! K 9 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 108 and name c ) (resid 109 and name n) 
	(resid 109 and name ca) (resid 109 and name c) 1.0 -69.4 12.0 2 
assign 	(resid 109 and name n ) (resid 109 and name ca) 
	(resid 109 and name c ) (resid 110 and name n) 1.0 -29.8 18.9 2 
!! A 10 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 109 and name c ) (resid 110 and name n) 
	(resid 110 and name ca) (resid 110 and name c) 1.0 -62.5 13.4 2 
assign 	(resid 110 and name n ) (resid 110 and name ca) 
	(resid 110 and name c ) (resid 111 and name n) 1.0 -41.7 18.0 2 
!! Q 11 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 110 and name c ) (resid 111 and name n) 
	(resid 111 and name ca) (resid 111 and name c) 1.0 -66.1 15.7 2 
assign 	(resid 111 and name n ) (resid 111 and name ca) 
	(resid 111 and name c ) (resid 112 and name n) 1.0 -34.2 22.1 2 
!! D 12 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 111 and name c ) (resid 112 and name n) 
	(resid 112 and name ca) (resid 112 and name c) 1.0 -74.6 20.9 2 
assign 	(resid 112 and name n ) (resid 112 and name ca) 
	(resid 112 and name c ) (resid 113 and name n) 1.0 -25.9 23.2 2 
!! I 16 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 115 and name c ) (resid 116 and name n) 
	(resid 116 and name ca) (resid 116 and name c) 1.0 -113.0 22.5 2 
assign 	(resid 116 and name n ) (resid 116 and name ca) 
	(resid 116 and name c ) (resid 117 and name n) 1.0 136.0 24.0 2 
!! V 17 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 116 and name c ) (resid 117 and name n) 
	(resid 117 and name ca) (resid 117 and name c) 1.0 -101.0 28.5 2 
assign 	(resid 117 and name n ) (resid 117 and name ca) 
	(resid 117 and name c ) (resid 118 and name n) 1.0 123.0 27.0 2 
!! M 18 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 117 and name c ) (resid 118 and name n) 
	(resid 118 and name ca) (resid 118 and name c) 1.0 -100.0 31.5 2 
assign 	(resid 118 and name n ) (resid 118 and name ca) 
	(resid 118 and name c ) (resid 119 and name n) 1.0 133.0 27.0 2 
!! R 21 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 120 and name c ) (resid 121 and name n) 
	(resid 121 and name ca) (resid 121 and name c) 1.0 -63.2 9.0 2 
assign 	(resid 121 and name n ) (resid 121 and name ca) 
	(resid 121 and name c ) (resid 122 and name n) 1.0 -36.0 16.3 2 
!! K 22 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 121 and name c ) (resid 122 and name n) 
	(resid 122 and name ca) (resid 122 and name c) 1.0 -67.6 6.6 2 
assign 	(resid 122 and name n ) (resid 122 and name ca) 
	(resid 122 and name c ) (resid 123 and name n) 1.0 -35.6 10.0 2 
!! S 23 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 122 and name c ) (resid 123 and name n) 
	(resid 123 and name ca) (resid 123 and name c) 1.0 -64.7 7.9 2 
assign 	(resid 123 and name n ) (resid 123 and name ca) 
	(resid 123 and name c ) (resid 124 and name n) 1.0 -41.0 12.3 2 
!! I 24 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 123 and name c ) (resid 124 and name n) 
	(resid 124 and name ca) (resid 124 and name c) 1.0 -67.3 7.1 2 
assign 	(resid 124 and name n ) (resid 124 and name ca) 
	(resid 124 and name c ) (resid 125 and name n) 1.0 -37.0 9.4 2 
!! Q 25 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 124 and name c ) (resid 125 and name n) 
	(resid 125 and name ca) (resid 125 and name c) 1.0 -64.7 8.3 2 
assign 	(resid 125 and name n ) (resid 125 and name ca) 
	(resid 125 and name c ) (resid 126 and name n) 1.0 -39.0 12.2 2 
!! Y 26 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 125 and name c ) (resid 126 and name n) 
	(resid 126 and name ca) (resid 126 and name c) 1.0 -66.0 7.5 2 
assign 	(resid 126 and name n ) (resid 126 and name ca) 
	(resid 126 and name c ) (resid 127 and name n) 1.0 -36.0 16.5 2 
!! A 27 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 126 and name c ) (resid 127 and name n) 
	(resid 127 and name ca) (resid 127 and name c) 1.0 -64.2 8.9 2 
assign 	(resid 127 and name n ) (resid 127 and name ca) 
	(resid 127 and name c ) (resid 128 and name n) 1.0 -36.5 15.5 2 
!! K 28 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 127 and name c ) (resid 128 and name n) 
	(resid 128 and name ca) (resid 128 and name c) 1.0 -69.0 10.6 2 
assign 	(resid 128 and name n ) (resid 128 and name ca) 
	(resid 128 and name c ) (resid 129 and name n) 1.0 -29.2 23.8 2 
!! L 34 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 133 and name c ) (resid 134 and name n) 
	(resid 134 and name ca) (resid 134 and name c) 1.0 -111.8 28.7 2 
assign 	(resid 134 and name n ) (resid 134 and name ca) 
	(resid 134 and name c ) (resid 135 and name n) 1.0 134.5 23.2 2 
!! I 35 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 134 and name c ) (resid 135 and name n) 
	(resid 135 and name ca) (resid 135 and name c) 1.0 -107.1 27.1 2 
assign 	(resid 135 and name n ) (resid 135 and name ca) 
	(resid 135 and name c ) (resid 136 and name n) 1.0 126.2 11.2 2 
!! I 36 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 135 and name c ) (resid 136 and name n) 
	(resid 136 and name ca) (resid 136 and name c) 1.0 -115.0 22.4 2 
assign 	(resid 136 and name n ) (resid 136 and name ca) 
	(resid 136 and name c ) (resid 137 and name n) 1.0 135.6 26.0 2 
!! V 37 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 136 and name c ) (resid 137 and name n) 
	(resid 137 and name ca) (resid 137 and name c) 1.0 -130.8 19.5 2 
assign 	(resid 137 and name n ) (resid 137 and name ca) 
	(resid 137 and name c ) (resid 138 and name n) 1.0 150.8 16.5 2 
!! R 39 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 138 and name c ) (resid 139 and name n) 
	(resid 139 and name ca) (resid 139 and name c) 1.0 -70.0 13.5 2 
assign 	(resid 139 and name n ) (resid 139 and name ca) 
	(resid 139 and name c ) (resid 140 and name n) 1.0 -28.0 24.0 2 
!! D 44 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 143 and name c ) (resid 144 and name n) 
	(resid 144 and name ca) (resid 144 and name c) 1.0 -82.0 28.5 2 
assign 	(resid 144 and name n ) (resid 144 and name ca) 
	(resid 144 and name c ) (resid 145 and name n) 1.0 -19.0 25.5 2 
!! I 45 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 144 and name c ) (resid 145 and name n) 
	(resid 145 and name ca) (resid 145 and name c) 1.0 -71.0 10.5 2 
assign 	(resid 145 and name n ) (resid 145 and name ca) 
	(resid 145 and name c ) (resid 146 and name n) 1.0 -35.0 19.5 2 
!! K 46 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 145 and name c ) (resid 146 and name n) 
	(resid 146 and name ca) (resid 146 and name c) 1.0 -64.0 10.5 2 
assign 	(resid 146 and name n ) (resid 146 and name ca) 
	(resid 146 and name c ) (resid 147 and name n) 1.0 -40.0 13.5 2 
!! E 47 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 146 and name c ) (resid 147 and name n) 
	(resid 147 and name ca) (resid 147 and name c) 1.0 -67.0 7.5 2 
assign 	(resid 147 and name n ) (resid 147 and name ca) 
	(resid 147 and name c ) (resid 148 and name n) 1.0 -38.0 12.0 2 
!! D 48 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 147 and name c ) (resid 148 and name n) 
	(resid 148 and name ca) (resid 148 and name c) 1.0 -67.0 6.0 2 
assign 	(resid 148 and name n ) (resid 148 and name ca) 
	(resid 148 and name c ) (resid 149 and name n) 1.0 -40.0 12.0 2 
!! E 50 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 149 and name c ) (resid 150 and name n) 
	(resid 150 and name ca) (resid 150 and name c) 1.0 -63.0 7.5 2 
assign 	(resid 150 and name n ) (resid 150 and name ca) 
	(resid 150 and name c ) (resid 151 and name n) 1.0 -42.0 10.5 2 
!! Y 51 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 150 and name c ) (resid 151 and name n) 
	(resid 151 and name ca) (resid 151 and name c) 1.0 -66.0 7.5 2 
assign 	(resid 151 and name n ) (resid 151 and name ca) 
	(resid 151 and name c ) (resid 152 and name n) 1.0 -41.0 10.5 2 
!! Y 52 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 151 and name c ) (resid 152 and name n) 
	(resid 152 and name ca) (resid 152 and name c) 1.0 -65.0 7.5 2 
assign 	(resid 152 and name n ) (resid 152 and name ca) 
	(resid 152 and name c ) (resid 153 and name n) 1.0 -36.0 16.5 2 
!! A 53 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 152 and name c ) (resid 153 and name n) 
	(resid 153 and name ca) (resid 153 and name c) 1.0 -68.0 12.0 2 
assign 	(resid 153 and name n ) (resid 153 and name ca) 
	(resid 153 and name c ) (resid 154 and name n) 1.0 -35.0 16.5 2 
!! R 54 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 153 and name c ) (resid 154 and name n) 
	(resid 154 and name ca) (resid 154 and name c) 1.0 -68.0 12.0 2 
assign 	(resid 154 and name n ) (resid 154 and name ca) 
	(resid 154 and name c ) (resid 155 and name n) 1.0 -30.0 21.0 2 
!! L 55 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 154 and name c ) (resid 155 and name n) 
	(resid 155 and name ca) (resid 155 and name c) 1.0 -75.0 13.5 2 
assign 	(resid 155 and name n ) (resid 155 and name ca) 
	(resid 155 and name c ) (resid 156 and name n) 1.0 -23.0 30.0 2 
!! I 58 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 157 and name c ) (resid 158 and name n) 
	(resid 158 and name ca) (resid 158 and name c) 1.0 -107.0 46.5 2 
assign 	(resid 158 and name n ) (resid 158 and name ca) 
	(resid 158 and name c ) (resid 159 and name n) 1.0 115.0 34.5 2 
!! V 60 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 159 and name c ) (resid 160 and name n) 
	(resid 160 and name ca) (resid 160 and name c) 1.0 -108.0 39.0 2 
assign 	(resid 160 and name n ) (resid 160 and name ca) 
	(resid 160 and name c ) (resid 161 and name n) 1.0 136.0 21.0 2 
!! Y 61 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 160 and name c ) (resid 161 and name n) 
	(resid 161 and name ca) (resid 161 and name c) 1.0 -107.0 22.5 2 
assign 	(resid 161 and name n ) (resid 161 and name ca) 
	(resid 161 and name c ) (resid 162 and name n) 1.0 127.0 24.0 2 
!! E 62 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 161 and name c ) (resid 162 and name n) 
	(resid 162 and name ca) (resid 162 and name c) 1.0 -93.0 19.5 2 
assign 	(resid 162 and name n ) (resid 162 and name ca) 
	(resid 162 and name c ) (resid 163 and name n) 1.0 126.0 19.5 2 
!! V 68 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 167 and name c ) (resid 168 and name n) 
	(resid 168 and name ca) (resid 168 and name c) 1.0 -67.0 12.0 2 
assign 	(resid 168 and name n ) (resid 168 and name ca) 
	(resid 168 and name c ) (resid 169 and name n) 1.0 -39.0 18.0 2 
!! E 69 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 168 and name c ) (resid 169 and name n) 
	(resid 169 and name ca) (resid 169 and name c) 1.0 -65.0 4.5 2 
assign 	(resid 169 and name n ) (resid 169 and name ca) 
	(resid 169 and name c ) (resid 170 and name n) 1.0 -35.0 16.5 2 
!! L 70 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 169 and name c ) (resid 170 and name n) 
	(resid 170 and name ca) (resid 170 and name c) 1.0 -69.0 18.0 2 
assign 	(resid 170 and name n ) (resid 170 and name ca) 
	(resid 170 and name c ) (resid 171 and name n) 1.0 -27.0 22.5 2 
!! T 72 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 171 and name c ) (resid 172 and name n) 
	(resid 172 and name ca) (resid 172 and name c) 1.0 -68.0 9.0 2 
assign 	(resid 172 and name n ) (resid 172 and name ca) 
	(resid 172 and name c ) (resid 173 and name n) 1.0 -35.0 16.5 2 
!! L 73 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 172 and name c ) (resid 173 and name n) 
	(resid 173 and name ca) (resid 173 and name c) 1.0 -67.0 15.0 2 
assign 	(resid 173 and name n ) (resid 173 and name ca) 
	(resid 173 and name c ) (resid 174 and name n) 1.0 -30.0 16.5 2 
!! R 76 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 175 and name c ) (resid 176 and name n) 
	(resid 176 and name ca) (resid 176 and name c) 1.0 -110.0 40.5 2 
assign 	(resid 176 and name n ) (resid 176 and name ca) 
	(resid 176 and name c ) (resid 177 and name n) 1.0 122.0 42.0 2 
!! V 80 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 179 and name c ) (resid 180 and name n) 
	(resid 180 and name ca) (resid 180 and name c) 1.0 -98.0 27.0 2 
assign 	(resid 180 and name n ) (resid 180 and name ca) 
	(resid 180 and name c ) (resid 181 and name n) 1.0 144.0 24.0 2 
!! A 84 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 183 and name c ) (resid 184 and name n) 
	(resid 184 and name ca) (resid 184 and name c) 1.0 -116.0 36.0 2 
assign 	(resid 184 and name n ) (resid 184 and name ca) 
	(resid 184 and name c ) (resid 185 and name n) 1.0 141.0 28.5 2 
!! I 93 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 192 and name c ) (resid 193 and name n) 
	(resid 193 and name ca) (resid 193 and name c) 1.0 -72.0 19.5 2 
assign 	(resid 193 and name n ) (resid 193 and name ca) 
	(resid 193 and name c ) (resid 194 and name n) 1.0 -21.0 24.0 2 
!! L 94 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 193 and name c ) (resid 194 and name n) 
	(resid 194 and name ca) (resid 194 and name c) 1.0 -83.0 27.0 2 
assign 	(resid 194 and name n ) (resid 194 and name ca) 
	(resid 194 and name c ) (resid 195 and name n) 1.0 -3.0 19.5 2 
!! A 95 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 194 and name c ) (resid 195 and name n) 
	(resid 195 and name ca) (resid 195 and name c) 1.0 -81.0 28.5 2 
assign 	(resid 195 and name n ) (resid 195 and name ca) 
	(resid 195 and name c ) (resid 196 and name n) 1.0 -20.0 36.0 2 
!! L 96 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 195 and name c ) (resid 196 and name n) 
	(resid 196 and name ca) (resid 196 and name c) 1.0 -85.0 21.0 2 
assign 	(resid 196 and name n ) (resid 196 and name ca) 
	(resid 196 and name c ) (resid 197 and name n) 1.0 -8.0 21.0 2 

!hbonds 
assign (resid 117 and name N )(resid 184 and name O ) 2.8 0.1 0.2 
assign (resid 117 and name HN )(resid 184 and name O ) 1.9 0.1 0.1 
assign (resid 184 and name N )(resid 117 and name O ) 2.8 0.1 0.2 
assign (resid 184 and name HN )(resid 117 and name O ) 1.9 0.1 0.1 
assign (resid 138 and name N )(resid 181 and name O ) 2.8 0.1 0.2 
assign (resid 138 and name HN )(resid 181 and name O ) 1.9 0.1 0.1 
assign (resid 136 and name N )(resid 183 and name O ) 2.8 0.1 0.2 
assign (resid 136 and name HN )(resid 183 and name O ) 1.9 0.1 0.1 
assign (resid 134 and name N )(resid 185 and name O ) 2.8 0.1 0.2 
assign (resid 134 and name HN )(resid 185 and name O ) 1.9 0.1 0.1 
assign (resid 185 and name N )(resid 134 and name O ) 2.8 0.1 0.2 
assign (resid 185 and name HN )(resid 134 and name O ) 1.9 0.1 0.1 
assign (resid 135 and name N )(resid 159 and name O ) 2.8 0.1 0.2 
assign (resid 135 and name HN )(resid 159 and name O ) 1.9 0.1 0.1 
assign (resid 161 and name N )(resid 135 and name O ) 2.8 0.1 0.2 
assign (resid 161 and name HN )(resid 135 and name O ) 1.9 0.1 0.1 
assign (resid 137 and name N )(resid 161 and name O ) 2.8 0.1 0.2 
assign (resid 137 and name HN )(resid 161 and name O ) 1.9 0.1 0.1 
assign (resid 163 and name N )(resid 137 and name O ) 2.8 0.1 0.2 
assign (resid 163 and name HN )(resid 137 and name O ) 1.9 0.1 0.1 
assign (resid 111 and name N )(resid 107 and name O ) 2.8 0.1 0.2 
assign (resid 111 and name HN )(resid 107 and name O ) 1.9 0.1 0.1 
assign (resid 110 and name N )(resid 106 and name O ) 2.8 0.1 0.2 
assign (resid 110 and name HN )(resid 106 and name O ) 1.9 0.1 0.1 
assign (resid 109 and name N )(resid 105 and name O ) 2.8 0.1 0.2 
assign (resid 109 and name HN )(resid 105 and name O ) 1.9 0.1 0.1 
assign (resid 108 and name N )(resid 104 and name O ) 2.8 0.1 0.2 
assign (resid 108 and name HN )(resid 104 and name O ) 1.9 0.1 0.1 
assign (resid 107 and name N )(resid 103 and name O ) 2.8 0.1 0.2 
assign (resid 107 and name HN )(resid 103 and name O ) 1.9 0.1 0.1 
assign (resid 128 and name N )(resid 124 and name O ) 2.8 0.1 0.2 
assign (resid 128 and name HN )(resid 124 and name O ) 1.9 0.1 0.1 
assign (resid 154 and name N )(resid 150 and name O ) 2.8 0.1 0.2 
assign (resid 154 and name HN )(resid 150 and name O ) 1.9 0.1 0.1 
assign (resid 153 and name N )(resid 149 and name O ) 2.8 0.1 0.2 
assign (resid 153 and name HN )(resid 149 and name O ) 1.9 0.1 0.1 
assign (resid 152 and name N )(resid 148 and name O ) 2.8 0.1 0.2 
assign (resid 152 and name HN )(resid 148 and name O ) 1.9 0.1 0.1 
assign (resid 174 and name N )(resid 170 and name O ) 2.8 0.1 0.2 
assign (resid 174 and name HN )(resid 170 and name O ) 1.9 0.1 0.1 
assign (resid 173 and name N )(resid 169 and name O ) 2.8 0.1 0.2 
assign (resid 173 and name HN )(resid 169 and name O ) 1.9 0.1 0.1 
assign (resid 172 and name N )(resid 168 and name O ) 2.8 0.1 0.2 
assign (resid 172 and name HN )(resid 168 and name O ) 1.9 0.1 0.1 
assign (resid 171 and name N )(resid 167 and name O ) 2.8 0.1 0.2 
assign (resid 171 and name HN )(resid 167 and name O ) 1.9 0.1 0.1 
assign (resid 170 and name N )(resid 166 and name O ) 2.8 0.1 0.2 
assign (resid 170 and name HN )(resid 166 and name O ) 1.9 0.1 0.1 

!!phi/psi angles predicted from TALOS using errfactor=1.5 

!! A 4 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 103 and name c ) (resid 104 and name n) 
	(resid 104 and name ca) (resid 104 and name c) 1.0 -64.0 6.0 2 
assign 	(resid 104 and name n ) (resid 104 and name ca) 
	(resid 104 and name c ) (resid 105 and name n) 1.0 -39.0 10.5 2 
!! F 5 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 104 and name c ) (resid 105 and name n) 
	(resid 105 and name ca) (resid 105 and name c) 1.0 -70.0 15.0 2 
assign 	(resid 105 and name n ) (resid 105 and name ca) 
	(resid 105 and name c ) (resid 106 and name n) 1.0 -29.0 25.5 2 
!! E 6 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 105 and name c ) (resid 106 and name n) 
	(resid 106 and name ca) (resid 106 and name c) 1.0 -73.0 27.0 2 
assign 	(resid 106 and name n ) (resid 106 and name ca) 
	(resid 106 and name c ) (resid 107 and name n) 1.0 -25.0 27.0 2 
!! L 7 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 106 and name c ) (resid 107 and name n) 
	(resid 107 and name ca) (resid 107 and name c) 1.0 -70.0 15.0 2 
assign 	(resid 107 and name n ) (resid 107 and name ca) 
	(resid 107 and name c ) (resid 108 and name n) 1.0 -30.0 16.5 2 
!! R 8 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 107 and name c ) (resid 108 and name n) 
	(resid 108 and name ca) (resid 108 and name c) 1.0 -68.7 11.9 2 
assign 	(resid 108 and name n ) (resid 108 and name ca) 
	(resid 108 and name c ) (resid 109 and name n) 1.0 -27.9 22.2 2 
!! K 9 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 108 and name c ) (resid 109 and name n) 
	(resid 109 and name ca) (resid 109 and name c) 1.0 -69.4 12.0 2 
assign 	(resid 109 and name n ) (resid 109 and name ca) 
	(resid 109 and name c ) (resid 110 and name n) 1.0 -29.8 18.9 2 
!! A 10 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 109 and name c ) (resid 110 and name n) 
	(resid 110 and name ca) (resid 110 and name c) 1.0 -62.5 13.4 2 
assign 	(resid 110 and name n ) (resid 110 and name ca) 
	(resid 110 and name c ) (resid 111 and name n) 1.0 -41.7 18.0 2 
!! Q 11 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 110 and name c ) (resid 111 and name n) 
	(resid 111 and name ca) (resid 111 and name c) 1.0 -66.1 15.7 2 
assign 	(resid 111 and name n ) (resid 111 and name ca) 
	(resid 111 and name c ) (resid 112 and name n) 1.0 -34.2 22.1 2 
!! D 12 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 111 and name c ) (resid 112 and name n) 
	(resid 112 and name ca) (resid 112 and name c) 1.0 -74.6 20.9 2 
assign 	(resid 112 and name n ) (resid 112 and name ca) 
	(resid 112 and name c ) (resid 113 and name n) 1.0 -25.9 23.2 2 
!! I 16 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 115 and name c ) (resid 116 and name n) 
	(resid 116 and name ca) (resid 116 and name c) 1.0 -113.0 22.5 2 
assign 	(resid 116 and name n ) (resid 116 and name ca) 
	(resid 116 and name c ) (resid 117 and name n) 1.0 136.0 24.0 2 
!! V 17 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 116 and name c ) (resid 117 and name n) 
	(resid 117 and name ca) (resid 117 and name c) 1.0 -101.0 28.5 2 
assign 	(resid 117 and name n ) (resid 117 and name ca) 
	(resid 117 and name c ) (resid 118 and name n) 1.0 123.0 27.0 2 
!! M 18 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 117 and name c ) (resid 118 and name n) 
	(resid 118 and name ca) (resid 118 and name c) 1.0 -100.0 31.5 2 
assign 	(resid 118 and name n ) (resid 118 and name ca) 
	(resid 118 and name c ) (resid 119 and name n) 1.0 133.0 27.0 2 
!! R 21 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 120 and name c ) (resid 121 and name n) 
	(resid 121 and name ca) (resid 121 and name c) 1.0 -63.2 9.0 2 
assign 	(resid 121 and name n ) (resid 121 and name ca) 
	(resid 121 and name c ) (resid 122 and name n) 1.0 -36.0 16.3 2 
!! K 22 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 121 and name c ) (resid 122 and name n) 
	(resid 122 and name ca) (resid 122 and name c) 1.0 -67.6 6.6 2 
assign 	(resid 122 and name n ) (resid 122 and name ca) 
	(resid 122 and name c ) (resid 123 and name n) 1.0 -35.6 10.0 2 
!! S 23 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 122 and name c ) (resid 123 and name n) 
	(resid 123 and name ca) (resid 123 and name c) 1.0 -64.7 7.9 2 
assign 	(resid 123 and name n ) (resid 123 and name ca) 
	(resid 123 and name c ) (resid 124 and name n) 1.0 -41.0 12.3 2 
!! I 24 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 123 and name c ) (resid 124 and name n) 
	(resid 124 and name ca) (resid 124 and name c) 1.0 -67.3 7.1 2 
assign 	(resid 124 and name n ) (resid 124 and name ca) 
	(resid 124 and name c ) (resid 125 and name n) 1.0 -37.0 9.4 2 
!! Q 25 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 124 and name c ) (resid 125 and name n) 
	(resid 125 and name ca) (resid 125 and name c) 1.0 -64.7 8.3 2 
assign 	(resid 125 and name n ) (resid 125 and name ca) 
	(resid 125 and name c ) (resid 126 and name n) 1.0 -39.0 12.2 2 
!! Y 26 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 125 and name c ) (resid 126 and name n) 
	(resid 126 and name ca) (resid 126 and name c) 1.0 -66.0 7.5 2 
assign 	(resid 126 and name n ) (resid 126 and name ca) 
	(resid 126 and name c ) (resid 127 and name n) 1.0 -36.0 16.5 2 
!! A 27 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 126 and name c ) (resid 127 and name n) 
	(resid 127 and name ca) (resid 127 and name c) 1.0 -64.2 8.9 2 
assign 	(resid 127 and name n ) (resid 127 and name ca) 
	(resid 127 and name c ) (resid 128 and name n) 1.0 -36.5 15.5 2 
!! K 28 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 127 and name c ) (resid 128 and name n) 
	(resid 128 and name ca) (resid 128 and name c) 1.0 -69.0 10.6 2 
assign 	(resid 128 and name n ) (resid 128 and name ca) 
	(resid 128 and name c ) (resid 129 and name n) 1.0 -29.2 23.8 2 
!! L 34 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 133 and name c ) (resid 134 and name n) 
	(resid 134 and name ca) (resid 134 and name c) 1.0 -111.8 28.7 2 
assign 	(resid 134 and name n ) (resid 134 and name ca) 
	(resid 134 and name c ) (resid 135 and name n) 1.0 134.5 23.2 2 
!! I 35 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 134 and name c ) (resid 135 and name n) 
	(resid 135 and name ca) (resid 135 and name c) 1.0 -107.1 27.1 2 
assign 	(resid 135 and name n ) (resid 135 and name ca) 
	(resid 135 and name c ) (resid 136 and name n) 1.0 126.2 11.2 2 
!! I 36 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 135 and name c ) (resid 136 and name n) 
	(resid 136 and name ca) (resid 136 and name c) 1.0 -115.0 22.4 2 
assign 	(resid 136 and name n ) (resid 136 and name ca) 
	(resid 136 and name c ) (resid 137 and name n) 1.0 135.6 26.0 2 
!! V 37 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 136 and name c ) (resid 137 and name n) 
	(resid 137 and name ca) (resid 137 and name c) 1.0 -130.8 19.5 2 
assign 	(resid 137 and name n ) (resid 137 and name ca) 
	(resid 137 and name c ) (resid 138 and name n) 1.0 150.8 16.5 2 
!! R 39 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 138 and name c ) (resid 139 and name n) 
	(resid 139 and name ca) (resid 139 and name c) 1.0 -70.0 13.5 2 
assign 	(resid 139 and name n ) (resid 139 and name ca) 
	(resid 139 and name c ) (resid 140 and name n) 1.0 -28.0 24.0 2 
!! D 44 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 143 and name c ) (resid 144 and name n) 
	(resid 144 and name ca) (resid 144 and name c) 1.0 -82.0 28.5 2 
assign 	(resid 144 and name n ) (resid 144 and name ca) 
	(resid 144 and name c ) (resid 145 and name n) 1.0 -19.0 25.5 2 
!! I 45 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 144 and name c ) (resid 145 and name n) 
	(resid 145 and name ca) (resid 145 and name c) 1.0 -71.0 10.5 2 
assign 	(resid 145 and name n ) (resid 145 and name ca) 
	(resid 145 and name c ) (resid 146 and name n) 1.0 -35.0 19.5 2 
!! K 46 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 145 and name c ) (resid 146 and name n) 
	(resid 146 and name ca) (resid 146 and name c) 1.0 -64.0 10.5 2 
assign 	(resid 146 and name n ) (resid 146 and name ca) 
	(resid 146 and name c ) (resid 147 and name n) 1.0 -40.0 13.5 2 
!! E 47 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 146 and name c ) (resid 147 and name n) 
	(resid 147 and name ca) (resid 147 and name c) 1.0 -67.0 7.5 2 
assign 	(resid 147 and name n ) (resid 147 and name ca) 
	(resid 147 and name c ) (resid 148 and name n) 1.0 -38.0 12.0 2 
!! D 48 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 147 and name c ) (resid 148 and name n) 
	(resid 148 and name ca) (resid 148 and name c) 1.0 -67.0 6.0 2 
assign 	(resid 148 and name n ) (resid 148 and name ca) 
	(resid 148 and name c ) (resid 149 and name n) 1.0 -40.0 12.0 2 
!! E 50 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 149 and name c ) (resid 150 and name n) 
	(resid 150 and name ca) (resid 150 and name c) 1.0 -63.0 7.5 2 
assign 	(resid 150 and name n ) (resid 150 and name ca) 
	(resid 150 and name c ) (resid 151 and name n) 1.0 -42.0 10.5 2 
!! Y 51 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 150 and name c ) (resid 151 and name n) 
	(resid 151 and name ca) (resid 151 and name c) 1.0 -66.0 7.5 2 
assign 	(resid 151 and name n ) (resid 151 and name ca) 
	(resid 151 and name c ) (resid 152 and name n) 1.0 -41.0 10.5 2 
!! Y 52 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 151 and name c ) (resid 152 and name n) 
	(resid 152 and name ca) (resid 152 and name c) 1.0 -65.0 7.5 2 
assign 	(resid 152 and name n ) (resid 152 and name ca) 
	(resid 152 and name c ) (resid 153 and name n) 1.0 -36.0 16.5 2 
!! A 53 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 152 and name c ) (resid 153 and name n) 
	(resid 153 and name ca) (resid 153 and name c) 1.0 -68.0 12.0 2 
assign 	(resid 153 and name n ) (resid 153 and name ca) 
	(resid 153 and name c ) (resid 154 and name n) 1.0 -35.0 16.5 2 
!! R 54 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 153 and name c ) (resid 154 and name n) 
	(resid 154 and name ca) (resid 154 and name c) 1.0 -68.0 12.0 2 
assign 	(resid 154 and name n ) (resid 154 and name ca) 
	(resid 154 and name c ) (resid 155 and name n) 1.0 -30.0 21.0 2 
!! L 55 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 154 and name c ) (resid 155 and name n) 
	(resid 155 and name ca) (resid 155 and name c) 1.0 -75.0 13.5 2 
assign 	(resid 155 and name n ) (resid 155 and name ca) 
	(resid 155 and name c ) (resid 156 and name n) 1.0 -23.0 30.0 2 
!! I 58 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 157 and name c ) (resid 158 and name n) 
	(resid 158 and name ca) (resid 158 and name c) 1.0 -107.0 46.5 2 
assign 	(resid 158 and name n ) (resid 158 and name ca) 
	(resid 158 and name c ) (resid 159 and name n) 1.0 115.0 34.5 2 
!! V 60 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 159 and name c ) (resid 160 and name n) 
	(resid 160 and name ca) (resid 160 and name c) 1.0 -108.0 39.0 2 
assign 	(resid 160 and name n ) (resid 160 and name ca) 
	(resid 160 and name c ) (resid 161 and name n) 1.0 136.0 21.0 2 
!! Y 61 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 160 and name c ) (resid 161 and name n) 
	(resid 161 and name ca) (resid 161 and name c) 1.0 -107.0 22.5 2 
assign 	(resid 161 and name n ) (resid 161 and name ca) 
	(resid 161 and name c ) (resid 162 and name n) 1.0 127.0 24.0 2 
!! E 62 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 161 and name c ) (resid 162 and name n) 
	(resid 162 and name ca) (resid 162 and name c) 1.0 -93.0 19.5 2 
assign 	(resid 162 and name n ) (resid 162 and name ca) 
	(resid 162 and name c ) (resid 163 and name n) 1.0 126.0 19.5 2 
!! V 68 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 167 and name c ) (resid 168 and name n) 
	(resid 168 and name ca) (resid 168 and name c) 1.0 -67.0 12.0 2 
assign 	(resid 168 and name n ) (resid 168 and name ca) 
	(resid 168 and name c ) (resid 169 and name n) 1.0 -39.0 18.0 2 
!! E 69 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 168 and name c ) (resid 169 and name n) 
	(resid 169 and name ca) (resid 169 and name c) 1.0 -65.0 4.5 2 
assign 	(resid 169 and name n ) (resid 169 and name ca) 
	(resid 169 and name c ) (resid 170 and name n) 1.0 -35.0 16.5 2 
!! L 70 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 169 and name c ) (resid 170 and name n) 
	(resid 170 and name ca) (resid 170 and name c) 1.0 -69.0 18.0 2 
assign 	(resid 170 and name n ) (resid 170 and name ca) 
	(resid 170 and name c ) (resid 171 and name n) 1.0 -27.0 22.5 2 
!! T 72 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 171 and name c ) (resid 172 and name n) 
	(resid 172 and name ca) (resid 172 and name c) 1.0 -68.0 9.0 2 
assign 	(resid 172 and name n ) (resid 172 and name ca) 
	(resid 172 and name c ) (resid 173 and name n) 1.0 -35.0 16.5 2 
!! L 73 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 172 and name c ) (resid 173 and name n) 
	(resid 173 and name ca) (resid 173 and name c) 1.0 -67.0 15.0 2 
assign 	(resid 173 and name n ) (resid 173 and name ca) 
	(resid 173 and name c ) (resid 174 and name n) 1.0 -30.0 16.5 2 
!! R 76 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 175 and name c ) (resid 176 and name n) 
	(resid 176 and name ca) (resid 176 and name c) 1.0 -110.0 40.5 2 
assign 	(resid 176 and name n ) (resid 176 and name ca) 
	(resid 176 and name c ) (resid 177 and name n) 1.0 122.0 42.0 2 
!! V 80 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 179 and name c ) (resid 180 and name n) 
	(resid 180 and name ca) (resid 180 and name c) 1.0 -98.0 27.0 2 
assign 	(resid 180 and name n ) (resid 180 and name ca) 
	(resid 180 and name c ) (resid 181 and name n) 1.0 144.0 24.0 2 
!! A 84 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 183 and name c ) (resid 184 and name n) 
	(resid 184 and name ca) (resid 184 and name c) 1.0 -116.0 36.0 2 
assign 	(resid 184 and name n ) (resid 184 and name ca) 
	(resid 184 and name c ) (resid 185 and name n) 1.0 141.0 28.5 2 
!! I 93 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 192 and name c ) (resid 193 and name n) 
	(resid 193 and name ca) (resid 193 and name c) 1.0 -72.0 19.5 2 
assign 	(resid 193 and name n ) (resid 193 and name ca) 
	(resid 193 and name c ) (resid 194 and name n) 1.0 -21.0 24.0 2 
!! L 94 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 193 and name c ) (resid 194 and name n) 
	(resid 194 and name ca) (resid 194 and name c) 1.0 -83.0 27.0 2 
assign 	(resid 194 and name n ) (resid 194 and name ca) 
	(resid 194 and name c ) (resid 195 and name n) 1.0 -3.0 19.5 2 
!! A 95 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 194 and name c ) (resid 195 and name n) 
	(resid 195 and name ca) (resid 195 and name c) 1.0 -81.0 28.5 2 
assign 	(resid 195 and name n ) (resid 195 and name ca) 
	(resid 195 and name c ) (resid 196 and name n) 1.0 -20.0 36.0 2 
!! L 96 - Good: based on both ppm(TALOS) + Jhnha; errfactor=1.5 
assign 	(resid 195 and name c ) (resid 196 and name n) 
	(resid 196 and name ca) (resid 196 and name c) 1.0 -85.0 21.0 2 
assign 	(resid 196 and name n ) (resid 196 and name ca) 
	(resid 196 and name c ) (resid 197 and name n) 1.0 -8.0 21.0 2 
! 
!hbonds 
assign (resid 117 and name N )(resid 184 and name O ) 2.8 0.1 0.2 
assign (resid 117 and name HN )(resid 184 and name O ) 1.9 0.1 0.1 
assign (resid 184 and name N )(resid 117 and name O ) 2.8 0.1 0.2 
assign (resid 184 and name HN )(resid 117 and name O ) 1.9 0.1 0.1 
assign (resid 138 and name N )(resid 181 and name O ) 2.8 0.1 0.2 
assign (resid 138 and name HN )(resid 181 and name O ) 1.9 0.1 0.1 
assign (resid 136 and name N )(resid 183 and name O ) 2.8 0.1 0.2 
assign (resid 136 and name HN )(resid 183 and name O ) 1.9 0.1 0.1 
assign (resid 134 and name N )(resid 185 and name O ) 2.8 0.1 0.2 
assign (resid 134 and name HN )(resid 185 and name O ) 1.9 0.1 0.1 
assign (resid 185 and name N )(resid 134 and name O ) 2.8 0.1 0.2 
assign (resid 185 and name HN )(resid 134 and name O ) 1.9 0.1 0.1 
assign (resid 135 and name N )(resid 159 and name O ) 2.8 0.1 0.2 
assign (resid 135 and name HN )(resid 159 and name O ) 1.9 0.1 0.1 
assign (resid 161 and name N )(resid 135 and name O ) 2.8 0.1 0.2 
assign (resid 161 and name HN )(resid 135 and name O ) 1.9 0.1 0.1 
assign (resid 137 and name N )(resid 161 and name O ) 2.8 0.1 0.2 
assign (resid 137 and name HN )(resid 161 and name O ) 1.9 0.1 0.1 
assign (resid 163 and name N )(resid 137 and name O ) 2.8 0.1 0.2 
assign (resid 163 and name HN )(resid 137 and name O ) 1.9 0.1 0.1 
assign (resid 111 and name N )(resid 107 and name O ) 2.8 0.1 0.2 
assign (resid 111 and name HN )(resid 107 and name O ) 1.9 0.1 0.1 
assign (resid 110 and name N )(resid 106 and name O ) 2.8 0.1 0.2 
assign (resid 110 and name HN )(resid 106 and name O ) 1.9 0.1 0.1 
assign (resid 109 and name N )(resid 105 and name O ) 2.8 0.1 0.2 
assign (resid 109 and name HN )(resid 105 and name O ) 1.9 0.1 0.1 
assign (resid 108 and name N )(resid 104 and name O ) 2.8 0.1 0.2 
assign (resid 108 and name HN )(resid 104 and name O ) 1.9 0.1 0.1 
assign (resid 107 and name N )(resid 103 and name O ) 2.8 0.1 0.2 
assign (resid 107 and name HN )(resid 103 and name O ) 1.9 0.1 0.1 
assign (resid 128 and name N )(resid 124 and name O ) 2.8 0.1 0.2 
assign (resid 128 and name HN )(resid 124 and name O ) 1.9 0.1 0.1 
assign (resid 154 and name N )(resid 150 and name O ) 2.8 0.1 0.2 
assign (resid 154 and name HN )(resid 150 and name O ) 1.9 0.1 0.1 
assign (resid 153 and name N )(resid 149 and name O ) 2.8 0.1 0.2 
assign (resid 153 and name HN )(resid 149 and name O ) 1.9 0.1 0.1 
assign (resid 152 and name N )(resid 148 and name O ) 2.8 0.1 0.2 
assign (resid 152 and name HN )(resid 148 and name O ) 1.9 0.1 0.1 
assign (resid 174 and name N )(resid 170 and name O ) 2.8 0.1 0.2 
assign (resid 174 and name HN )(resid 170 and name O ) 1.9 0.1 0.1 
assign (resid 173 and name N )(resid 169 and name O ) 2.8 0.1 0.2 
assign (resid 173 and name HN )(resid 169 and name O ) 1.9 0.1 0.1 
assign (resid 172 and name N )(resid 168 and name O ) 2.8 0.1 0.2 
assign (resid 172 and name HN )(resid 168 and name O ) 1.9 0.1 0.1 
assign (resid 171 and name N )(resid 167 and name O ) 2.8 0.1 0.2 
assign (resid 171 and name HN )(resid 167 and name O ) 1.9 0.1 0.1 
assign (resid 170 and name N )(resid 166 and name O ) 2.8 0.1 0.2 
assign (resid 170 and name HN )(resid 166 and name O ) 1.9 0.1 0.1 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -2          1H        GLY  -2  17.650   4.346  -7.234
    2    H2   GLY  -2          3H        GLY  -2  19.183   4.510  -7.946
    3    H3   GLY  -2          2H        GLY  -2  19.017   4.552  -6.257
    4   1HA   GLY  -2          1HA       GLY  -2  19.366   6.762  -7.319
    5   2HA   GLY  -2          2HA       GLY  -2  17.951   6.631  -6.286
    6    H    SER  -1           H        SER  -1  16.106   5.422  -7.840
    7    HA   SER  -1           HA       SER  -1  15.502   7.523  -9.739
    8    HG   SER  -1           HG       SER  -1  17.147   6.834 -11.345
    9    H    VAL   1           H        VAL   1  14.258   7.547  -7.563
   10    HA   VAL   1           HA       VAL   1  12.447   7.196  -6.270
   11    HB   VAL   1           HB       VAL   1  11.489   8.508  -8.150
   12   1HG1  VAL   1          2HG1      VAL   1  11.408   6.051  -9.508
   13   2HG1  VAL   1          3HG1      VAL   1   9.735   6.545  -9.247
   14   3HG1  VAL   1          1HG1      VAL   1  10.857   7.628 -10.071
   15   1HG2  VAL   1          3HG2      VAL   1  10.211   7.240  -6.048
   16   2HG2  VAL   1          1HG2      VAL   1   9.631   8.634  -6.960
   17   3HG2  VAL   1          2HG2      VAL   1   9.135   7.008  -7.428
   18    H    ASP   2           H        ASP   2  13.854   5.029  -6.282
   19    HA   ASP   2           HA       ASP   2  12.711   2.653  -7.218
   20    H    PHE   3           H        PHE   3  10.930   1.674  -6.671
   21    HA   PHE   3           HA       PHE   3   9.222   2.466  -4.600
   22    HD1  PHE   3          1HD       PHE   3   8.304  -1.768  -4.761
   23    HD2  PHE   3          2HD       PHE   3   6.622   2.128  -5.032
   24    HE1  PHE   3          1HE       PHE   3   6.328  -2.537  -3.520
   25    HE2  PHE   3          2HE       PHE   3   4.642   1.364  -3.790
   26    HZ   PHE   3           HZ       PHE   3   4.495  -0.970  -3.027
   27    H    ALA   4           H        ALA   4  11.396  -0.329  -4.849
   28    HA   ALA   4           HA       ALA   4  10.750  -1.502  -2.398
   29   1HB   ALA   4          2HB       ALA   4  13.161  -1.674  -4.168
   30   2HB   ALA   4          3HB       ALA   4  13.067  -2.568  -2.648
   31   3HB   ALA   4          1HB       ALA   4  11.877  -2.858  -3.919
   32    H    PHE   5           H        PHE   5  13.388   0.753  -3.198
   33    HA   PHE   5           HA       PHE   5  14.578   0.762  -0.664
   34    HD1  PHE   5          1HD       PHE   5  16.297   1.576   0.230
   35    HD2  PHE   5          2HD       PHE   5  15.771   4.891  -2.392
   36    HE1  PHE   5          1HE       PHE   5  17.719   2.952   1.689
   37    HE2  PHE   5          2HE       PHE   5  17.190   6.273  -0.930
   38    HZ   PHE   5           HZ       PHE   5  18.166   5.302   1.113
   39    H    GLU   6           H        GLU   6  12.173   2.990  -2.063
   40    HA   GLU   6           HA       GLU   6  11.938   4.590   0.245
   41    H    LEU   7           H        LEU   7  10.238   1.653  -0.770
   42    HA   LEU   7           HA       LEU   7   8.228   1.830   1.205
   43    HG   LEU   7           HG       LEU   7   7.485  -1.080   1.606
   44   1HD1  LEU   7          1HD1      LEU   7   6.545   1.368   0.856
   45   2HD1  LEU   7          2HD1      LEU   7   5.403   0.281   0.063
   46   3HD1  LEU   7          3HD1      LEU   7   5.647   0.185   1.808
   47   1HD2  LEU   7          2HD2      LEU   7   7.624  -2.167  -0.795
   48   2HD2  LEU   7          3HD2      LEU   7   6.290  -2.521   0.302
   49   3HD2  LEU   7          1HD2      LEU   7   6.076  -1.346  -0.996
   50    H    ARG   8           H        ARG   8  11.302   0.004   1.130
   51    HA   ARG   8           HA       ARG   8  10.931  -1.105   3.719
   52    HE   ARG   8           HE       ARG   8  14.533  -3.414   1.665
   53   1HH1  ARG   8          2HH1      ARG   8  15.906  -0.986  -0.432
   54   2HH1  ARG   8          1HH1      ARG   8  15.602  -1.884  -1.892
   55   1HH2  ARG   8          2HH2      ARG   8  14.103  -4.593  -0.225
   56   2HH2  ARG   8          1HH2      ARG   8  14.568  -3.946  -1.774
   57    H    LYS   9           H        LYS   9  12.334   1.874   2.544
   58    HA   LYS   9           HA       LYS   9  13.495   2.700   4.996
   59   1HZ   LYS   9          2HZ       LYS   9  14.898   7.619   0.967
   60   2HZ   LYS   9          1HZ       LYS   9  13.342   8.034   0.444
   61   3HZ   LYS   9          3HZ       LYS   9  13.993   8.758   1.835
   62    H    ALA  10           H        ALA  10  10.280   3.099   3.568
   63    HA   ALA  10           HA       ALA  10   9.180   4.758   5.583
   64   1HB   ALA  10          1HB       ALA  10   7.189   4.501   4.503
   65   2HB   ALA  10          3HB       ALA  10   7.447   2.782   4.198
   66   3HB   ALA  10          2HB       ALA  10   8.278   3.987   3.213
   67    H    GLN  11           H        GLN  11   9.499   1.276   5.244
   68    HA   GLN  11           HA       GLN  11   7.944   0.548   7.499
   69   1HE2  GLN  11          1HE2      GLN  11   8.737  -4.129   7.703
   70   2HE2  GLN  11          2HE2      GLN  11   8.323  -3.919   9.376
   71    H    ASP  12           H        ASP  12  11.343   1.342   7.033
   72    HA   ASP  12           HA       ASP  12  12.144   0.657   9.684
   73    H    THR  13           H        THR  13  11.660   3.807   8.049
   74    HA   THR  13           HA       THR  13  11.659   5.032  10.730
   75    HB   THR  13           HB       THR  13  13.544   5.813   9.421
   76    HG1  THR  13          1HG       THR  13  11.432   7.648   9.855
   77   1HG2  THR  13          3HG2      THR  13  11.551   5.982   7.290
   78   2HG2  THR  13          2HG2      THR  13  12.591   7.403   7.400
   79   3HG2  THR  13          1HG2      THR  13  13.304   5.802   7.192
   80    H    GLY  14           H        GLY  14   9.324   3.928   9.935
   81   1HA   GLY  14          2HA       GLY  14   7.482   5.359   8.498
   82   2HA   GLY  14          1HA       GLY  14   7.583   6.198  10.039
   83    H    LYS  15           H        LYS  15   5.586   4.334   8.556
   84    HA   LYS  15           HA       LYS  15   5.222   2.159  10.415
   85   1HZ   LYS  15          3HZ       LYS  15   0.490   3.860  12.777
   86   2HZ   LYS  15          2HZ       LYS  15  -0.884   2.936  13.143
   87   3HZ   LYS  15          1HZ       LYS  15   0.623   2.512  13.802
   88    H    ILE  16           H        ILE  16   4.614   0.577   9.116
   89    HA   ILE  16           HA       ILE  16   2.812   1.188   6.853
   90    HB   ILE  16           HB       ILE  16   4.987  -0.913   6.925
   91   1HG2  ILE  16          3HG2      ILE  16   2.731  -0.839   5.369
   92   2HG2  ILE  16          1HG2      ILE  16   3.945  -0.088   4.332
   93   3HG2  ILE  16          2HG2      ILE  16   4.220  -1.704   4.985
   94   1HD1  ILE  16          2HD1      ILE  16   3.775   2.035   5.279
   95   2HD1  ILE  16          3HD1      ILE  16   5.174   3.035   5.665
   96   3HD1  ILE  16          1HD1      ILE  16   5.167   2.059   4.195
   97    H    VAL  17           H        VAL  17   0.973   0.077   6.816
   98    HA   VAL  17           HA       VAL  17   0.625  -2.216   8.609
   99    HB   VAL  17           HB       VAL  17  -1.418  -0.800   6.880
  100   1HG1  VAL  17          3HG1      VAL  17  -1.916  -3.182   7.441
  101   2HG1  VAL  17          1HG1      VAL  17  -1.882  -2.732   9.146
  102   3HG1  VAL  17          2HG1      VAL  17  -3.090  -2.027   8.072
  103   1HG2  VAL  17          2HG2      VAL  17  -0.323  -0.211   9.523
  104   2HG2  VAL  17          3HG2      VAL  17  -1.234   0.816   8.415
  105   3HG2  VAL  17          1HG2      VAL  17  -2.084  -0.299   9.485
  106    H    MET  18           H        MET  18   0.537  -4.277   7.861
  107    HA   MET  18           HA       MET  18   0.513  -4.646   4.936
  108   1HE   MET  18          3HE       MET  18   4.062  -4.997   8.031
  109   2HE   MET  18          1HE       MET  18   4.937  -6.526   7.967
  110   3HE   MET  18          2HE       MET  18   5.823  -5.001   7.924
  111    H    GLY  19           H        GLY  19  -1.027  -5.951   4.216
  112   1HA   GLY  19          2HA       GLY  19  -2.743  -7.332   6.072
  113   2HA   GLY  19          1HA       GLY  19  -1.775  -8.420   5.086
  114    H    ALA  20           H        ALA  20  -4.706  -7.072   5.309
  115    HA   ALA  20           HA       ALA  20  -5.154  -6.114   2.668
  116   1HB   ALA  20          1HB       ALA  20  -5.749  -7.939   1.546
  117   2HB   ALA  20          3HB       ALA  20  -6.879  -8.405   2.817
  118   3HB   ALA  20          2HB       ALA  20  -5.190  -8.907   2.910
  119    H    ARG  21           H        ARG  21  -6.951  -7.959   5.149
  120    HA   ARG  21           HA       ARG  21  -9.244  -6.276   5.000
  121    HE   ARG  21           HE       ARG  21 -11.073 -10.367   4.038
  122   1HH1  ARG  21          2HH1      ARG  21  -7.675 -10.880   3.333
  123   2HH1  ARG  21          1HH1      ARG  21  -7.976 -12.107   2.140
  124   1HH2  ARG  21          2HH2      ARG  21 -11.470 -11.983   2.471
  125   2HH2  ARG  21          1HH2      ARG  21 -10.136 -12.709   1.626
  126    H    LYS  22           H        LYS  22  -6.418  -6.371   7.107
  127    HA   LYS  22           HA       LYS  22  -7.243  -4.462   8.996
  128   1HZ   LYS  22          2HZ       LYS  22  -5.555  -2.132  12.245
  129   2HZ   LYS  22          1HZ       LYS  22  -4.700  -2.418  13.680
  130   3HZ   LYS  22          3HZ       LYS  22  -3.881  -2.432  12.193
  131    H    SER  23           H        SER  23  -5.654  -4.134   5.871
  132    HA   SER  23           HA       SER  23  -5.144  -1.361   6.016
  133    HG   SER  23           HG       SER  23  -4.500  -1.392   2.547
  134    H    ILE  24           H        ILE  24  -7.905  -3.243   4.901
  135    HA   ILE  24           HA       ILE  24  -9.318  -1.234   3.557
  136    HB   ILE  24           HB       ILE  24 -10.493  -3.503   5.179
  137   1HG2  ILE  24          3HG2      ILE  24 -11.649  -1.730   3.036
  138   2HG2  ILE  24          1HG2      ILE  24 -12.387  -3.253   3.536
  139   3HG2  ILE  24          2HG2      ILE  24 -12.210  -1.934   4.696
  140   1HD1  ILE  24          2HD1      ILE  24 -11.337  -5.299   3.838
  141   2HD1  ILE  24          3HD1      ILE  24 -11.319  -5.027   2.096
  142   3HD1  ILE  24          1HD1      ILE  24 -10.064  -6.014   2.848
  143    H    GLN  25           H        GLN  25  -9.178  -2.082   6.965
  144    HA   GLN  25           HA       GLN  25 -11.235  -0.439   7.911
  145   1HE2  GLN  25          1HE2      GLN  25  -9.968  -3.021  10.591
  146   2HE2  GLN  25          2HE2      GLN  25  -9.917  -3.300  12.299
  147    H    TYR  26           H        TYR  26  -7.850   0.257   7.223
  148    HA   TYR  26           HA       TYR  26  -7.874   2.894   8.314
  149    HD1  TYR  26          1HD       TYR  26  -6.454  -0.089   8.536
  150    HD2  TYR  26          2HD       TYR  26  -4.242   3.543   8.504
  151    HE1  TYR  26          1HE       TYR  26  -5.217  -0.831  10.527
  152    HE2  TYR  26          2HE       TYR  26  -2.997   2.810  10.491
  153    HH   TYR  26           HH       TYR  26  -2.554   0.038  11.465
  154    H    ALA  27           H        ALA  27  -8.582   1.495   5.181
  155    HA   ALA  27           HA       ALA  27  -8.843   3.965   3.785
  156   1HB   ALA  27          1HB       ALA  27  -9.677   1.145   3.248
  157   2HB   ALA  27          3HB       ALA  27  -8.541   2.167   2.367
  158   3HB   ALA  27          2HB       ALA  27 -10.275   2.455   2.229
  159    H    LYS  28           H        LYS  28 -11.019   1.928   5.631
  160    HA   LYS  28           HA       LYS  28 -13.439   3.139   4.882
  161   1HZ   LYS  28          2HZ       LYS  28 -14.556  -1.935   8.722
  162   2HZ   LYS  28          1HZ       LYS  28 -16.156  -1.416   8.950
  163   3HZ   LYS  28          3HZ       LYS  28 -15.782  -2.489   7.691
  164    H    MET  29           H        MET  29 -11.410   3.690   7.767
  165    HA   MET  29           HA       MET  29 -12.747   6.289   8.151
  166   1HE   MET  29          1HE       MET  29 -14.814   3.030  10.133
  167   2HE   MET  29          2HE       MET  29 -14.531   1.471  10.912
  168   3HE   MET  29          3HE       MET  29 -15.585   2.664  11.676
  169    H    GLY  30           H        GLY  30  -9.966   5.326   7.454
  170   1HA   GLY  30          2HA       GLY  30  -7.831   5.326   8.493
  171   2HA   GLY  30          1HA       GLY  30  -8.519   6.215   9.845
  172    H    GLY  31           H        GLY  31  -6.169   6.721   8.298
  173   1HA   GLY  31          2HA       GLY  31  -6.075   9.432   8.165
  174   2HA   GLY  31          1HA       GLY  31  -6.676   8.976   6.574
  175    H    ALA  32           H        ALA  32  -5.280   6.591   6.245
  176    HA   ALA  32           HA       ALA  32  -2.483   6.894   6.645
  177   1HB   ALA  32          3HB       ALA  32  -3.528   5.257   4.391
  178   2HB   ALA  32          2HB       ALA  32  -3.955   4.781   6.035
  179   3HB   ALA  32          1HB       ALA  32  -2.260   4.888   5.560
  180    H    LYS  33           H        LYS  33  -0.946   7.799   5.332
  181    HA   LYS  33           HA       LYS  33  -1.819   9.803   3.542
  182   1HZ   LYS  33          3HZ       LYS  33   1.495  13.583   3.213
  183   2HZ   LYS  33          2HZ       LYS  33   0.919  14.211   4.680
  184   3HZ   LYS  33          1HZ       LYS  33   1.770  12.745   4.664
  185    H    LEU  34           H        LEU  34  -0.459   6.580   3.059
  186    HA   LEU  34           HA       LEU  34  -1.400   6.697   0.287
  187    HG   LEU  34           HG       LEU  34   0.669   4.336  -0.558
  188   1HD1  LEU  34          2HD1      LEU  34  -1.017   5.740  -1.648
  189   2HD1  LEU  34          3HD1      LEU  34   0.261   6.782  -2.272
  190   3HD1  LEU  34          1HD1      LEU  34   0.153   5.104  -2.804
  191   1HD2  LEU  34          2HD2      LEU  34   2.848   6.269  -0.853
  192   2HD2  LEU  34          3HD2      LEU  34   2.877   4.505  -0.874
  193   3HD2  LEU  34          1HD2      LEU  34   2.433   5.398  -2.329
  194    H    ILE  35           H        ILE  35  -2.250   4.776  -0.436
  195    HA   ILE  35           HA       ILE  35  -1.747   2.391   1.220
  196    HB   ILE  35           HB       ILE  35  -4.418   3.253   0.102
  197   1HG2  ILE  35          3HG2      ILE  35  -3.398   0.621   0.203
  198   2HG2  ILE  35          1HG2      ILE  35  -4.585   0.770   1.499
  199   3HG2  ILE  35          2HG2      ILE  35  -5.045   1.137  -0.163
  200   1HD1  ILE  35          2HD1      ILE  35  -6.073   2.273   1.929
  201   2HD1  ILE  35          3HD1      ILE  35  -5.612   2.485   3.618
  202   3HD1  ILE  35          1HD1      ILE  35  -6.039   3.887   2.638
  203    H    ILE  36           H        ILE  36  -0.946   0.755   0.079
  204    HA   ILE  36           HA       ILE  36  -1.061   0.952  -2.859
  205    HB   ILE  36           HB       ILE  36   1.026  -0.397  -1.135
  206   1HG2  ILE  36          1HG2      ILE  36   0.699  -0.110  -4.100
  207   2HG2  ILE  36          2HG2      ILE  36   2.297  -0.304  -3.378
  208   3HG2  ILE  36          3HG2      ILE  36   1.070  -1.552  -3.153
  209   1HD1  ILE  36          3HD1      ILE  36   3.309   0.680  -2.236
  210   2HD1  ILE  36          1HD1      ILE  36   3.360   2.437  -2.099
  211   3HD1  ILE  36          2HD1      ILE  36   3.186   1.446  -0.652
  212    H    VAL  37           H        VAL  37  -1.919  -0.678  -4.002
  213    HA   VAL  37           HA       VAL  37  -2.425  -3.232  -2.613
  214    HB   VAL  37           HB       VAL  37  -4.479  -3.493  -3.998
  215   1HG1  VAL  37          2HG1      VAL  37  -4.213  -2.244  -1.623
  216   2HG1  VAL  37          3HG1      VAL  37  -5.002  -0.976  -2.560
  217   3HG1  VAL  37          1HG1      VAL  37  -5.765  -2.557  -2.400
  218   1HG2  VAL  37          3HG2      VAL  37  -3.476  -1.119  -5.244
  219   2HG2  VAL  37          1HG2      VAL  37  -4.835  -2.136  -5.720
  220   3HG2  VAL  37          2HG2      VAL  37  -5.083  -0.808  -4.588
  221    H    ALA  38           H        ALA  38  -1.894  -5.066  -3.697
  222    HA   ALA  38           HA       ALA  38  -0.098  -4.913  -5.874
  223   1HB   ALA  38          1HB       ALA  38  -0.848  -7.509  -5.902
  224   2HB   ALA  38          3HB       ALA  38  -1.352  -7.043  -4.277
  225   3HB   ALA  38          2HB       ALA  38   0.327  -6.833  -4.773
  226    H    ARG  39           H        ARG  39  -0.355  -5.280  -8.056
  227    HA   ARG  39           HA       ARG  39  -2.842  -4.693  -9.239
  228    HE   ARG  39           HE       ARG  39  -1.575  -1.456 -11.819
  229   1HH1  ARG  39          2HH1      ARG  39  -4.735  -2.895 -12.284
  230   2HH1  ARG  39          1HH1      ARG  39  -5.410  -1.479 -13.043
  231   1HH2  ARG  39          2HH2      ARG  39  -2.469   0.428 -12.773
  232   2HH2  ARG  39          1HH2      ARG  39  -4.138   0.422 -13.280
  233    H    ASN  40           H        ASN  40  -1.129  -7.750  -8.742
  234    HA   ASN  40           HA       ASN  40  -3.357  -9.230  -9.877
  235   1HD2  ASN  40          1HD2      ASN  40  -1.690 -11.820 -11.399
  236   2HD2  ASN  40          2HD2      ASN  40  -0.809 -10.928 -12.598
  237    H    ALA  41           H        ALA  41  -3.937  -7.729  -7.536
  238    HA   ALA  41           HA       ALA  41  -4.332  -9.754  -5.458
  239   1HB   ALA  41          1HB       ALA  41  -3.837  -7.098  -5.213
  240   2HB   ALA  41          2HB       ALA  41  -5.598  -7.114  -5.127
  241   3HB   ALA  41          3HB       ALA  41  -4.652  -8.069  -3.986
  242    H    ARG  42           H        ARG  42  -6.585 -10.041  -4.621
  243    HA   ARG  42           HA       ARG  42  -8.307 -10.701  -6.773
  244    HE   ARG  42           HE       ARG  42 -10.711 -12.909  -5.313
  245   1HH1  ARG  42          2HH1      ARG  42 -10.316 -15.317  -2.798
  246   2HH1  ARG  42          1HH1      ARG  42 -11.899 -16.000  -3.029
  247   1HH2  ARG  42          2HH2      ARG  42 -12.778 -13.789  -5.608
  248   2HH2  ARG  42          1HH2      ARG  42 -13.312 -15.110  -4.616
  249    HA   PRO  43           HA       PRO  43 -10.247  -6.862  -7.716
  250    H    ASP  44           H        ASP  44 -11.968  -9.191  -5.658
  251    HA   ASP  44           HA       ASP  44 -13.877  -7.438  -4.560
  252    H    ILE  45           H        ILE  45 -10.577  -8.198  -3.592
  253    HA   ILE  45           HA       ILE  45 -10.570  -6.528  -1.279
  254    HB   ILE  45           HB       ILE  45  -8.290  -7.673  -2.903
  255   1HG2  ILE  45          1HG2      ILE  45  -8.018  -5.555  -1.269
  256   2HG2  ILE  45          2HG2      ILE  45  -7.826  -6.868  -0.108
  257   3HG2  ILE  45          3HG2      ILE  45  -6.764  -6.770  -1.513
  258   1HD1  ILE  45          3HD1      ILE  45  -9.879  -7.534   0.309
  259   2HD1  ILE  45          1HD1      ILE  45 -10.556  -9.161   0.228
  260   3HD1  ILE  45          2HD1      ILE  45  -8.949  -8.908   0.908
  261    H    LYS  46           H        LYS  46  -9.263  -6.192  -4.569
  262    HA   LYS  46           HA       LYS  46  -8.097  -3.691  -4.183
  263   1HZ   LYS  46          1HZ       LYS  46  -7.731  -3.769  -8.892
  264   2HZ   LYS  46          3HZ       LYS  46  -7.074  -2.559  -7.896
  265   3HZ   LYS  46          2HZ       LYS  46  -6.474  -2.788  -9.462
  266    H    GLU  47           H        GLU  47 -11.255  -4.388  -5.744
  267    HA   GLU  47           HA       GLU  47 -11.892  -1.697  -6.215
  268    H    ASP  48           H        ASP  48 -12.470  -3.747  -3.435
  269    HA   ASP  48           HA       ASP  48 -14.223  -2.026  -2.049
  270    H    ILE  49           H        ILE  49 -10.706  -2.531  -1.691
  271    HA   ILE  49           HA       ILE  49 -10.351  -0.505   0.248
  272    HB   ILE  49           HB       ILE  49  -8.330  -1.719  -1.638
  273   1HG2  ILE  49          3HG2      ILE  49  -7.977   0.096   0.739
  274   2HG2  ILE  49          1HG2      ILE  49  -6.675  -0.889   0.069
  275   3HG2  ILE  49          2HG2      ILE  49  -7.435   0.360  -0.918
  276   1HD1  ILE  49          2HD1      ILE  49  -6.575  -2.754  -0.101
  277   2HD1  ILE  49          3HD1      ILE  49  -7.075  -3.379   1.470
  278   3HD1  ILE  49          1HD1      ILE  49  -7.402  -4.308   0.007
  279    H    GLU  50           H        GLU  50  -9.728  -0.516  -3.264
  280    HA   GLU  50           HA       GLU  50  -8.666   2.040  -3.450
  281    H    TYR  51           H        TYR  51 -12.059   1.028  -3.670
  282    HA   TYR  51           HA       TYR  51 -13.060   3.627  -4.233
  283    HD1  TYR  51          1HD       TYR  51 -16.553   1.228  -2.296
  284    HD2  TYR  51          2HD       TYR  51 -15.109   4.491  -4.614
  285    HE1  TYR  51          1HE       TYR  51 -18.651   2.442  -1.884
  286    HE2  TYR  51          2HE       TYR  51 -17.199   5.712  -4.206
  287    HH   TYR  51           HH       TYR  51 -19.491   4.720  -1.875
  288    H    TYR  52           H        TYR  52 -12.938   1.703  -1.234
  289    HA   TYR  52           HA       TYR  52 -14.152   3.593   0.419
  290    HD1  TYR  52          1HD       TYR  52 -13.741   0.183   3.226
  291    HD2  TYR  52          2HD       TYR  52 -15.212   1.928  -0.361
  292    HE1  TYR  52          1HE       TYR  52 -15.803  -1.136   3.437
  293    HE2  TYR  52          2HE       TYR  52 -17.276   0.608  -0.162
  294    HH   TYR  52           HH       TYR  52 -18.209  -0.934   2.640
  295    H    ALA  53           H        ALA  53 -10.732   3.140  -0.366
  296    HA   ALA  53           HA       ALA  53  -9.789   5.178   1.371
  297   1HB   ALA  53          2HB       ALA  53  -8.573   3.241  -0.047
  298   2HB   ALA  53          3HB       ALA  53  -8.243   4.634  -1.075
  299   3HB   ALA  53          1HB       ALA  53  -7.735   4.646   0.613
  300    H    ARG  54           H        ARG  54 -10.624   5.131  -2.089
  301    HA   ARG  54           HA       ARG  54  -9.832   7.735  -2.683
  302    HE   ARG  54           HE       ARG  54  -8.213   7.562  -5.111
  303   1HH1  ARG  54          2HH1      ARG  54 -10.447   8.633  -7.593
  304   2HH1  ARG  54          1HH1      ARG  54  -9.640   7.767  -8.870
  305   1HH2  ARG  54          2HH2      ARG  54  -7.159   6.423  -6.768
  306   2HH2  ARG  54          1HH2      ARG  54  -7.770   6.492  -8.395
  307    H    LEU  55           H        LEU  55 -13.009   6.580  -1.526
  308    HA   LEU  55           HA       LEU  55 -14.232   9.123  -1.690
  309    HG   LEU  55           HG       LEU  55 -14.101   6.048   0.381
  310   1HD1  LEU  55          1HD1      LEU  55 -14.990   7.970   1.885
  311   2HD1  LEU  55          2HD1      LEU  55 -16.444   6.980   1.984
  312   3HD1  LEU  55          3HD1      LEU  55 -14.899   6.331   2.530
  313   1HD2  LEU  55          1HD2      LEU  55 -17.071   5.656   0.037
  314   2HD2  LEU  55          2HD2      LEU  55 -15.791   4.853  -0.871
  315   3HD2  LEU  55          3HD2      LEU  55 -15.984   4.533   0.852
  316    H    SER  56           H        SER  56 -12.306   7.575   0.778
  317    HA   SER  56           HA       SER  56 -12.780   9.589   2.772
  318    HG   SER  56           HG       SER  56 -12.180   6.187   3.202
  319    H    GLY  57           H        GLY  57 -10.980   9.512  -0.043
  320   1HA   GLY  57          2HA       GLY  57  -9.603  11.964   0.619
  321   2HA   GLY  57          1HA       GLY  57  -9.583  11.135  -0.932
  322    H    ILE  58           H        ILE  58  -8.848   8.594   0.457
  323    HA   ILE  58           HA       ILE  58  -6.082   9.174   1.232
  324    HB   ILE  58           HB       ILE  58  -7.650   6.587   1.336
  325   1HG2  ILE  58          3HG2      ILE  58  -4.811   7.074   1.375
  326   2HG2  ILE  58          1HG2      ILE  58  -5.348   6.342   2.886
  327   3HG2  ILE  58          2HG2      ILE  58  -5.690   5.546   1.351
  328   1HD1  ILE  58          2HD1      ILE  58  -8.208   5.852   3.733
  329   2HD1  ILE  58          3HD1      ILE  58  -6.582   6.154   4.347
  330   3HD1  ILE  58          1HD1      ILE  58  -7.961   6.992   5.056
  331    HA   PRO  59           HA       PRO  59  -5.048   8.410  -3.033
  332    H    VAL  60           H        VAL  60  -5.033   6.514  -3.991
  333    HA   VAL  60           HA       VAL  60  -3.769   4.217  -2.666
  334    HB   VAL  60           HB       VAL  60  -5.733   4.215  -4.964
  335   1HG1  VAL  60          3HG1      VAL  60  -4.143   2.236  -4.601
  336   2HG1  VAL  60          1HG1      VAL  60  -5.099   1.911  -3.156
  337   3HG1  VAL  60          2HG1      VAL  60  -5.868   1.898  -4.743
  338   1HG2  VAL  60          1HG2      VAL  60  -6.475   5.078  -2.611
  339   2HG2  VAL  60          2HG2      VAL  60  -7.490   3.948  -3.510
  340   3HG2  VAL  60          3HG2      VAL  60  -6.459   3.362  -2.204
  341    H    TYR  61           H        TYR  61  -2.208   3.024  -3.673
  342    HA   TYR  61           HA       TYR  61  -1.377   3.877  -6.364
  343    HD1  TYR  61          1HD       TYR  61   0.586   4.479  -7.529
  344    HD2  TYR  61          2HD       TYR  61   2.344   1.964  -4.582
  345    HE1  TYR  61          1HE       TYR  61   2.346   3.849  -9.124
  346    HE2  TYR  61          2HE       TYR  61   4.110   1.331  -6.170
  347    HH   TYR  61           HH       TYR  61   4.031   2.416  -9.534
  348    H    GLU  62           H        GLU  62  -1.126   2.263  -7.802
  349    HA   GLU  62           HA       GLU  62  -1.790  -0.429  -6.949
  350    H    PHE  63           H        PHE  63  -0.282  -1.866  -6.432
  351    HA   PHE  63           HA       PHE  63   2.506  -1.388  -6.802
  352    HD1  PHE  63          1HD       PHE  63   4.356  -2.204  -5.876
  353    HD2  PHE  63          2HD       PHE  63   2.214  -5.881  -5.942
  354    HE1  PHE  63          1HE       PHE  63   6.485  -3.444  -5.884
  355    HE2  PHE  63          2HE       PHE  63   4.333  -7.122  -5.949
  356    HZ   PHE  63           HZ       PHE  63   6.492  -5.865  -5.987
  357    H    GLU  64           H        GLU  64   3.771  -1.882  -8.451
  358    HA   GLU  64           HA       GLU  64   2.672  -3.012 -10.845
  359    H    GLY  65           H        GLY  65   2.159  -5.013  -9.399
  360   1HA   GLY  65          2HA       GLY  65   4.266  -6.845  -8.854
  361   2HA   GLY  65          1HA       GLY  65   3.524  -7.194 -10.409
  362    H    THR  66           H        THR  66   3.457  -9.070  -8.483
  363    HA   THR  66           HA       THR  66   0.596  -9.179  -7.847
  364    HB   THR  66           HB       THR  66   1.514 -11.007  -9.240
  365    HG1  THR  66          1HG       THR  66   0.358 -12.533  -8.201
  366   1HG2  THR  66          2HG2      THR  66   3.723 -10.907  -7.693
  367   2HG2  THR  66          1HG2      THR  66   2.889 -12.283  -6.968
  368   3HG2  THR  66          3HG2      THR  66   3.280 -12.297  -8.686
  369    H    SER  67           H        SER  67   0.105 -10.539  -5.839
  370    HA   SER  67           HA       SER  67   1.024  -9.180  -3.558
  371    HG   SER  67           HG       SER  67  -1.677 -12.043  -4.151
  372    H    VAL  68           H        VAL  68   2.005 -12.196  -5.051
  373    HA   VAL  68           HA       VAL  68   3.530 -13.239  -2.925
  374    HB   VAL  68           HB       VAL  68   4.107 -13.630  -5.864
  375   1HG1  VAL  68          1HG1      VAL  68   4.853 -15.066  -3.362
  376   2HG1  VAL  68          2HG1      VAL  68   4.670 -15.979  -4.861
  377   3HG1  VAL  68          3HG1      VAL  68   5.838 -14.661  -4.767
  378   1HG2  VAL  68          3HG2      VAL  68   1.668 -14.054  -4.785
  379   2HG2  VAL  68          1HG2      VAL  68   2.335 -14.996  -6.117
  380   3HG2  VAL  68          2HG2      VAL  68   2.435 -15.611  -4.467
  381    H    GLU  69           H        GLU  69   4.453 -11.236  -5.701
  382    HA   GLU  69           HA       GLU  69   7.188 -10.973  -5.038
  383    H    LEU  70           H        LEU  70   4.309  -9.092  -4.280
  384    HA   LEU  70           HA       LEU  70   5.549  -6.937  -2.972
  385    HG   LEU  70           HG       LEU  70   3.504  -6.254  -0.845
  386   1HD1  LEU  70          1HD1      LEU  70   3.967  -4.936  -3.485
  387   2HD1  LEU  70          2HD1      LEU  70   3.465  -3.973  -2.095
  388   3HD1  LEU  70          3HD1      LEU  70   4.958  -4.909  -2.026
  389   1HD2  LEU  70          1HD2      LEU  70   1.184  -6.391  -2.570
  390   2HD2  LEU  70          2HD2      LEU  70   1.292  -6.006  -0.854
  391   3HD2  LEU  70          3HD2      LEU  70   1.523  -4.738  -2.056
  392    H    GLY  71           H        GLY  71   4.238  -9.992  -1.703
  393   1HA   GLY  71          2HA       GLY  71   4.733 -11.185   0.190
  394   2HA   GLY  71          1HA       GLY  71   4.849  -9.631   1.001
  395    H    THR  72           H        THR  72   6.819 -11.014  -1.597
  396    HA   THR  72           HA       THR  72   9.048 -11.698  -0.028
  397    HB   THR  72           HB       THR  72   8.970 -10.921  -2.952
  398    HG1  THR  72          1HG       THR  72   8.443 -12.996  -3.339
  399   1HG2  THR  72          2HG2      THR  72  11.239 -10.999  -1.757
  400   2HG2  THR  72          1HG2      THR  72  10.973 -12.738  -1.635
  401   3HG2  THR  72          3HG2      THR  72  11.056 -11.968  -3.219
  402    H    LEU  73           H        LEU  73   8.172  -8.682  -1.669
  403    HA   LEU  73           HA       LEU  73  10.681  -7.423  -1.322
  404    HG   LEU  73           HG       LEU  73   9.641  -4.417  -1.142
  405   1HD1  LEU  73          3HD1      LEU  73  11.479  -6.118  -2.170
  406   2HD1  LEU  73          1HD1      LEU  73  11.311  -4.976  -3.501
  407   3HD1  LEU  73          2HD1      LEU  73  11.763  -4.399  -1.898
  408   1HD2  LEU  73          2HD2      LEU  73   8.438  -4.687  -3.803
  409   2HD2  LEU  73          3HD2      LEU  73   8.362  -3.356  -2.647
  410   3HD2  LEU  73          1HD2      LEU  73   9.765  -3.527  -3.704
  411    H    LEU  74           H        LEU  74   7.657  -7.188   0.551
  412    HA   LEU  74           HA       LEU  74   8.847  -5.362   2.426
  413    HG   LEU  74           HG       LEU  74   6.966  -3.909   2.041
  414   1HD1  LEU  74          1HD1      LEU  74   5.704  -6.007   0.354
  415   2HD1  LEU  74          2HD1      LEU  74   5.238  -4.321   0.118
  416   3HD1  LEU  74          3HD1      LEU  74   6.925  -4.804  -0.058
  417   1HD2  LEU  74          1HD2      LEU  74   4.434  -5.106   3.022
  418   2HD2  LEU  74          2HD2      LEU  74   5.200  -3.572   3.434
  419   3HD2  LEU  74          3HD2      LEU  74   4.339  -3.744   1.905
  420    H    GLY  75           H        GLY  75   8.048  -8.802   2.435
  421   1HA   GLY  75          2HA       GLY  75   9.577  -9.045   4.955
  422   2HA   GLY  75          1HA       GLY  75   9.560 -10.274   3.696
  423    H    ARG  76           H        ARG  76   6.731 -10.026   3.188
  424    HA   ARG  76           HA       ARG  76   5.669 -11.281   5.637
  425    HE   ARG  76           HE       ARG  76   1.519 -12.271   7.173
  426   1HH1  ARG  76          2HH1      ARG  76   1.799  -8.787   6.963
  427   2HH1  ARG  76          1HH1      ARG  76   0.107  -8.502   7.239
  428   1HH2  ARG  76          2HH2      ARG  76  -0.691 -11.906   7.599
  429   2HH2  ARG  76          1HH2      ARG  76  -1.311 -10.278   7.618
  430    HA   PRO  77           HA       PRO  77   6.077 -14.656   2.620
  431    H    HIS  78           H        HIS  78   3.550 -13.554   3.160
  432    HA   HIS  78           HA       HIS  78   1.913 -15.964   3.038
  433    HD1  HIS  78          1HD       HIS  78   0.824 -17.488   4.823
  434    HD2  HIS  78          2HD       HIS  78   2.717 -14.687   7.255
  435    HE1  HIS  78          1HE       HIS  78   1.652 -18.769   6.827
  436    HE2  HIS  78          2HE       HIS  78   2.730 -17.047   8.320
  437    H    THR  79           H        THR  79   2.832 -14.111   1.073
  438    HA   THR  79           HA       THR  79   2.130 -12.799  -0.649
  439    HB   THR  79           HB       THR  79  -0.071 -13.523  -1.641
  440    HG1  THR  79          1HG       THR  79  -0.543 -14.361   0.795
  441   1HG2  THR  79          1HG2      THR  79   2.112 -14.607  -2.141
  442   2HG2  THR  79          3HG2      THR  79   1.773 -15.782  -0.872
  443   3HG2  THR  79          2HG2      THR  79   0.732 -15.695  -2.291
  444    H    VAL  80           H        VAL  80   2.132 -10.882   0.806
  445    HA   VAL  80           HA       VAL  80  -0.294  -9.960   1.942
  446    HB   VAL  80           HB       VAL  80   1.866  -9.184   2.779
  447   1HG1  VAL  80          2HG1      VAL  80   2.247  -8.358  -0.006
  448   2HG1  VAL  80          3HG1      VAL  80   2.760  -7.177   1.201
  449   3HG1  VAL  80          1HG1      VAL  80   3.428  -8.809   1.225
  450   1HG2  VAL  80          3HG2      VAL  80  -0.321  -7.781   2.806
  451   2HG2  VAL  80          1HG2      VAL  80   1.200  -7.047   3.313
  452   3HG2  VAL  80          2HG2      VAL  80   0.562  -6.726   1.700
  453    H    SER  81           H        SER  81  -1.985  -9.114   0.999
  454    HA   SER  81           HA       SER  81  -1.968  -8.702  -1.832
  455    HG   SER  81           HG       SER  81  -4.263  -7.546  -2.203
  456    H    ALA  82           H        ALA  82  -2.260  -6.650   1.019
  457    HA   ALA  82           HA       ALA  82  -1.827  -4.293  -0.644
  458   1HB   ALA  82          2HB       ALA  82  -4.290  -4.657  -0.510
  459   2HB   ALA  82          3HB       ALA  82  -4.174  -4.452   1.238
  460   3HB   ALA  82          1HB       ALA  82  -3.751  -3.118   0.165
  461    H    LEU  83           H        LEU  83  -0.999  -2.523   0.470
  462    HA   LEU  83           HA       LEU  83  -0.425  -2.914   3.320
  463    HG   LEU  83           HG       LEU  83   1.124  -1.517   0.338
  464   1HD1  LEU  83          2HD1      LEU  83   3.273  -0.869   2.317
  465   2HD1  LEU  83          3HD1      LEU  83   3.344  -0.271   0.659
  466   3HD1  LEU  83          1HD1      LEU  83   1.983   0.161   1.696
  467   1HD2  LEU  83          2HD2      LEU  83   3.152  -3.590   0.732
  468   2HD2  LEU  83          3HD2      LEU  83   2.303  -3.089  -0.732
  469   3HD2  LEU  83          1HD2      LEU  83   3.708  -2.183  -0.173
  470    H    ALA  84           H        ALA  84  -0.490  -1.070   4.517
  471    HA   ALA  84           HA       ALA  84  -1.235   1.361   3.045
  472   1HB   ALA  84          3HB       ALA  84  -2.184   0.149   5.542
  473   2HB   ALA  84          1HB       ALA  84  -1.935   1.894   5.615
  474   3HB   ALA  84          2HB       ALA  84  -3.015   1.206   4.401
  475    H    VAL  85           H        VAL  85   0.268   2.802   2.868
  476    HA   VAL  85           HA       VAL  85   2.502   2.990   4.730
  477    HB   VAL  85           HB       VAL  85   1.883   4.757   2.350
  478   1HG1  VAL  85          3HG1      VAL  85   3.604   5.260   4.363
  479   2HG1  VAL  85          1HG1      VAL  85   4.648   4.345   3.277
  480   3HG1  VAL  85          2HG1      VAL  85   3.847   5.807   2.705
  481   1HG2  VAL  85          3HG2      VAL  85   2.173   2.330   1.770
  482   2HG2  VAL  85          1HG2      VAL  85   3.341   3.420   1.026
  483   3HG2  VAL  85          2HG2      VAL  85   3.810   2.442   2.415
  484    H    VAL  86           H        VAL  86   1.074   3.479   6.513
  485    HA   VAL  86           HA       VAL  86  -0.625   5.734   6.527
  486    HB   VAL  86           HB       VAL  86   0.643   4.445   8.948
  487   1HG1  VAL  86          1HG1      VAL  86  -1.080   6.622   8.698
  488   2HG1  VAL  86          2HG1      VAL  86  -2.103   5.280   9.210
  489   3HG1  VAL  86          3HG1      VAL  86  -0.693   5.732  10.171
  490   1HG2  VAL  86          3HG2      VAL  86  -0.673   3.006   7.115
  491   2HG2  VAL  86          1HG2      VAL  86  -0.766   2.676   8.846
  492   3HG2  VAL  86          2HG2      VAL  86  -2.044   3.597   8.054
  493    H    ASP  87           H        ASP  87   2.633   5.193   7.823
  494    HA   ASP  87           HA       ASP  87   3.050   8.103   7.716
  495    HA   PRO  88           HA       PRO  88   6.147   6.294   4.944
  496    H    GLY  89           H        GLY  89   6.401   9.398   6.653
  497   1HA   GLY  89          2HA       GLY  89   8.952   8.740   7.747
  498   2HA   GLY  89          1HA       GLY  89   8.144  10.297   7.858
  499    H    GLU  90           H        GLU  90  10.860   8.882   6.820
  500    HA   GLU  90           HA       GLU  90  11.707  11.087   5.237
  501    H    SER  91           H        SER  91  10.306   7.987   4.567
  502    HA   SER  91           HA       SER  91  11.035   7.654   1.895
  503    HG   SER  91           HG       SER  91   9.187   5.052   1.489
  504    H    ARG  92           H        ARG  92  10.371   8.479   0.050
  505    HA   ARG  92           HA       ARG  92   8.089  10.344   0.095
  506    HE   ARG  92           HE       ARG  92   8.554  13.245  -1.130
  507   1HH1  ARG  92          2HH1      ARG  92   8.276  13.336   2.366
  508   2HH1  ARG  92          1HH1      ARG  92   6.875  14.367   2.346
  509   1HH2  ARG  92          2HH2      ARG  92   6.725  14.610  -1.145
  510   2HH2  ARG  92          1HH2      ARG  92   5.996  15.093   0.358
  511    H    ILE  93           H        ILE  93   7.979   7.438   0.025
  512    HA   ILE  93           HA       ILE  93   7.511   6.426  -2.537
  513    HB   ILE  93           HB       ILE  93   7.753   5.051  -0.474
  514   1HG2  ILE  93          1HG2      ILE  93   5.633   6.603   0.465
  515   2HG2  ILE  93          2HG2      ILE  93   4.983   4.975   0.276
  516   3HG2  ILE  93          3HG2      ILE  93   6.411   5.244   1.276
  517   1HD1  ILE  93          2HD1      ILE  93   8.017   4.481  -2.835
  518   2HD1  ILE  93          3HD1      ILE  93   7.416   2.824  -2.782
  519   3HD1  ILE  93          1HD1      ILE  93   6.612   4.023  -3.796
  520    H    LEU  94           H        LEU  94   5.614   8.453  -0.509
  521    HA   LEU  94           HA       LEU  94   3.078   8.034  -1.656
  522    HG   LEU  94           HG       LEU  94   5.370   9.814   0.458
  523   1HD1  LEU  94          3HD1      LEU  94   4.245  11.930  -1.268
  524   2HD1  LEU  94          1HD1      LEU  94   5.361  12.445   0.000
  525   3HD1  LEU  94          2HD1      LEU  94   5.878  11.261  -1.201
  526   1HD2  LEU  94          3HD2      LEU  94   3.494  10.281   2.129
  527   2HD2  LEU  94          1HD2      LEU  94   4.949  11.278   2.227
  528   3HD2  LEU  94          2HD2      LEU  94   3.489  11.916   1.468
  529    H    ALA  95           H        ALA  95   5.849   9.474  -2.968
  530    HA   ALA  95           HA       ALA  95   4.676  11.469  -4.605
  531   1HB   ALA  95          1HB       ALA  95   6.826  11.836  -5.031
  532   2HB   ALA  95          2HB       ALA  95   7.262  10.317  -4.248
  533   3HB   ALA  95          3HB       ALA  95   6.880  10.345  -5.971
  534    H    LEU  96           H        LEU  96   5.153   8.014  -4.941
  535    HA   LEU  96           HA       LEU  96   4.284   7.859  -7.665
  536    HG   LEU  96           HG       LEU  96   6.712   6.664  -6.129
  537   1HD1  LEU  96          2HD1      LEU  96   6.419   4.258  -5.600
  538   2HD1  LEU  96          3HD1      LEU  96   6.291   3.933  -7.328
  539   3HD1  LEU  96          1HD1      LEU  96   7.788   4.585  -6.663
  540   1HD2  LEU  96          2HD2      LEU  96   5.595   6.787  -8.714
  541   2HD2  LEU  96          3HD2      LEU  96   7.208   7.284  -8.200
  542   3HD2  LEU  96          1HD2      LEU  96   6.935   5.643  -8.787
  543    H    GLY  97           H        GLY  97   2.747   7.787  -4.553
  544   1HA   GLY  97          2HA       GLY  97   0.520   6.662  -4.314
  545   2HA   GLY  97          1HA       GLY  97   0.148   7.353  -5.887
  546    H    GLY  98           H        GLY  98   0.903   9.863  -5.792
  547   1HA   GLY  98          2HA       GLY  98   0.574  11.282  -3.416
  548   2HA   GLY  98          1HA       GLY  98  -1.006  11.183  -4.185
  549    H    LYS  99           H        LYS  99  -0.309  11.300  -6.827
  550    HA   LYS  99           HA       LYS  99   0.167  14.092  -7.193
  551   1HZ   LYS  99          2HZ       LYS  99   4.667  16.518  -8.416
  552   2HZ   LYS  99          1HZ       LYS  99   4.408  15.815  -9.941
  553   3HZ   LYS  99          3HZ       LYS  99   4.514  17.502  -9.791
  554    H    GLU 100           H        GLU 100  -0.966  14.693  -8.926
  555    HA   GLU 100           HA       GLU 100  -1.250  13.112 -11.287

  No H/Q in entry =         555
  Start of MODEL    2
    1    H1   GLY  -2          2H        GLY  -2   9.709  11.064  -5.476
    2    H2   GLY  -2          1H        GLY  -2  10.993  11.810  -4.657
    3    H3   GLY  -2          3H        GLY  -2   9.639  12.722  -5.123
    4   1HA   GLY  -2          1HA       GLY  -2  11.568  13.104  -6.575
    5   2HA   GLY  -2          2HA       GLY  -2  10.168  12.470  -7.430
    6    H    SER  -1           H        SER  -1  10.242   9.842  -6.786
    7    HA   SER  -1           HA       SER  -1  12.406   8.868  -8.402
    8    HG   SER  -1           HG       SER  -1  11.339   7.973  -5.059
    9    H    VAL   1           H        VAL   1  11.862   6.945  -9.370
   10    HA   VAL   1           HA       VAL   1   9.216   5.881  -8.617
   11    HB   VAL   1           HB       VAL   1  10.485   5.476 -11.317
   12   1HG1  VAL   1          2HG1      VAL   1   7.975   4.801 -10.057
   13   2HG1  VAL   1          3HG1      VAL   1   7.723   5.736 -11.532
   14   3HG1  VAL   1          1HG1      VAL   1   8.654   4.240 -11.585
   15   1HG2  VAL   1          3HG2      VAL   1   9.768   7.988 -10.271
   16   2HG2  VAL   1          1HG2      VAL   1  10.168   7.584 -11.941
   17   3HG2  VAL   1          2HG2      VAL   1   8.491   7.529 -11.397
   18    H    ASP   2           H        ASP   2  11.452   5.019  -7.229
   19    HA   ASP   2           HA       ASP   2  12.333   2.509  -8.391
   20    H    PHE   3           H        PHE   3  10.361   3.657  -5.720
   21    HA   PHE   3           HA       PHE   3   8.634   2.762  -4.583
   22    HD1  PHE   3          1HD       PHE   3   7.897  -1.496  -5.691
   23    HD2  PHE   3          2HD       PHE   3   6.308   2.241  -4.421
   24    HE1  PHE   3          1HE       PHE   3   6.205  -2.672  -4.347
   25    HE2  PHE   3          2HE       PHE   3   4.616   1.071  -3.079
   26    HZ   PHE   3           HZ       PHE   3   4.561  -1.387  -3.040
   27    H    ALA   4           H        ALA   4  11.035   0.233  -5.363
   28    HA   ALA   4           HA       ALA   4  10.566  -1.335  -3.116
   29   1HB   ALA   4          3HB       ALA   4  13.131  -1.019  -4.665
   30   2HB   ALA   4          1HB       ALA   4  12.758  -2.339  -3.556
   31   3HB   ALA   4          2HB       ALA   4  11.815  -2.134  -5.033
   32    H    PHE   5           H        PHE   5  13.077   1.151  -3.571
   33    HA   PHE   5           HA       PHE   5  14.147   0.958  -0.958
   34    HD1  PHE   5          1HD       PHE   5  16.097   1.718  -0.113
   35    HD2  PHE   5          2HD       PHE   5  15.019   5.276  -2.180
   36    HE1  PHE   5          1HE       PHE   5  17.399   3.045   1.499
   37    HE2  PHE   5          2HE       PHE   5  16.328   6.609  -0.579
   38    HZ   PHE   5           HZ       PHE   5  17.517   5.492   1.266
   39    H    GLU   6           H        GLU   6  11.768   3.122  -2.404
   40    HA   GLU   6           HA       GLU   6  11.296   4.721  -0.157
   41    H    LEU   7           H        LEU   7   9.768   1.726  -1.228
   42    HA   LEU   7           HA       LEU   7   7.708   1.643   0.704
   43    HG   LEU   7           HG       LEU   7   7.654  -1.382   1.181
   44   1HD1  LEU   7          3HD1      LEU   7   5.999   0.535   0.752
   45   2HD1  LEU   7          1HD1      LEU   7   5.345  -0.505  -0.512
   46   3HD1  LEU   7          2HD1      LEU   7   5.350  -1.052   1.164
   47   1HD2  LEU   7          3HD2      LEU   7   8.136  -2.606  -1.037
   48   2HD2  LEU   7          1HD2      LEU   7   6.812  -3.182  -0.024
   49   3HD2  LEU   7          2HD2      LEU   7   6.470  -2.195  -1.445
   50    H    ARG   8           H        ARG   8  10.960   0.207   0.629
   51    HA   ARG   8           HA       ARG   8  10.749  -1.011   3.179
   52    HE   ARG   8           HE       ARG   8  12.449  -4.668   0.610
   53   1HH1  ARG   8          2HH1      ARG   8  15.663  -3.585  -0.276
   54   2HH1  ARG   8          1HH1      ARG   8  16.031  -5.028  -1.181
   55   1HH2  ARG   8          2HH2      ARG   8  12.947  -6.565  -0.539
   56   2HH2  ARG   8          1HH2      ARG   8  14.488  -6.728  -1.324
   57    H    LYS   9           H        LYS   9  11.866   2.146   2.109
   58    HA   LYS   9           HA       LYS   9  12.908   3.057   4.580
   59   1HZ   LYS   9          2HZ       LYS   9  15.083   6.561   5.913
   60   2HZ   LYS   9          1HZ       LYS   9  14.899   5.310   7.044
   61   3HZ   LYS   9          3HZ       LYS   9  16.333   5.434   6.143
   62    H    ALA  10           H        ALA  10   9.683   3.192   3.147
   63    HA   ALA  10           HA       ALA  10   8.425   4.671   5.176
   64   1HB   ALA  10          2HB       ALA  10   6.650   2.751   3.960
   65   2HB   ALA  10          3HB       ALA  10   6.674   4.508   3.814
   66   3HB   ALA  10          1HB       ALA  10   7.677   3.521   2.751
   67    H    GLN  11           H        GLN  11   8.846   1.191   4.719
   68    HA   GLN  11           HA       GLN  11   7.269   0.435   6.950
   69   1HE2  GLN  11          1HE2      GLN  11   6.599  -4.105   6.515
   70   2HE2  GLN  11          2HE2      GLN  11   7.593  -5.256   5.687
   71    H    ASP  12           H        ASP  12  10.780   0.688   6.489
   72    HA   ASP  12           HA       ASP  12  11.378  -0.294   9.075
   73    H    THR  13           H        THR  13  11.560   2.998   7.721
   74    HA   THR  13           HA       THR  13  12.247   4.076  10.311
   75    HB   THR  13           HB       THR  13  11.650   5.521   7.721
   76    HG1  THR  13          1HG       THR  13  13.960   4.338   8.836
   77   1HG2  THR  13          2HG2      THR  13  11.941   6.519  10.340
   78   2HG2  THR  13          1HG2      THR  13  13.449   6.877   9.500
   79   3HG2  THR  13          3HG2      THR  13  11.915   7.435   8.834
   80    H    GLY  14           H        GLY  14   9.458   4.242   8.118
   81   1HA   GLY  14          2HA       GLY  14   7.396   5.313   8.503
   82   2HA   GLY  14          1HA       GLY  14   7.914   5.675  10.144
   83    H    LYS  15           H        LYS  15   5.791   3.939   8.417
   84    HA   LYS  15           HA       LYS  15   5.906   1.412   9.697
   85   1HZ   LYS  15          1HZ       LYS  15   4.323  -0.422  13.473
   86   2HZ   LYS  15          3HZ       LYS  15   5.723   0.517  13.283
   87   3HZ   LYS  15          2HZ       LYS  15   5.078   0.260  14.831
   88    H    ILE  16           H        ILE  16   4.764  -0.043   8.580
   89    HA   ILE  16           HA       ILE  16   2.682   0.927   6.730
   90    HB   ILE  16           HB       ILE  16   4.811  -1.142   6.156
   91   1HG2  ILE  16          2HG2      ILE  16   2.267  -1.410   5.348
   92   2HG2  ILE  16          3HG2      ILE  16   2.888  -0.391   4.049
   93   3HG2  ILE  16          1HG2      ILE  16   3.648  -1.944   4.393
   94   1HD1  ILE  16          2HD1      ILE  16   6.149  -0.631   4.130
   95   2HD1  ILE  16          3HD1      ILE  16   4.972   0.162   3.083
   96   3HD1  ILE  16          1HD1      ILE  16   6.373   1.055   3.674
   97    H    VAL  17           H        VAL  17   0.789   0.005   7.192
   98    HA   VAL  17           HA       VAL  17   0.708  -2.399   8.830
   99    HB   VAL  17           HB       VAL  17  -1.568  -0.730   7.739
  100   1HG1  VAL  17          1HG1      VAL  17  -1.481  -3.041   9.659
  101   2HG1  VAL  17          2HG1      VAL  17  -2.820  -1.892   9.629
  102   3HG1  VAL  17          3HG1      VAL  17  -2.453  -2.855   8.199
  103   1HG2  VAL  17          3HG2      VAL  17   0.266  -0.122   9.770
  104   2HG2  VAL  17          1HG2      VAL  17  -1.249   0.704   9.405
  105   3HG2  VAL  17          2HG2      VAL  17  -1.221  -0.604  10.588
  106    H    MET  18           H        MET  18   1.053  -4.234   7.743
  107    HA   MET  18           HA       MET  18   0.156  -4.541   5.006
  108   1HE   MET  18          3HE       MET  18   4.142  -5.858   6.636
  109   2HE   MET  18          1HE       MET  18   5.293  -7.105   7.110
  110   3HE   MET  18          2HE       MET  18   4.651  -7.079   5.469
  111    H    GLY  19           H        GLY  19  -1.660  -5.518   4.368
  112   1HA   GLY  19          2HA       GLY  19  -3.453  -6.525   6.445
  113   2HA   GLY  19          1HA       GLY  19  -3.052  -7.628   5.135
  114    H    ALA  20           H        ALA  20  -4.741  -7.751   3.813
  115    HA   ALA  20           HA       ALA  20  -5.557  -5.524   2.282
  116   1HB   ALA  20          3HB       ALA  20  -5.679  -8.140   1.856
  117   2HB   ALA  20          1HB       ALA  20  -7.326  -7.899   2.439
  118   3HB   ALA  20          2HB       ALA  20  -6.749  -7.006   1.033
  119    H    ARG  21           H        ARG  21  -7.387  -7.436   4.677
  120    HA   ARG  21           HA       ARG  21  -9.591  -5.655   4.766
  121    HE   ARG  21           HE       ARG  21 -11.428  -9.834   6.327
  122   1HH1  ARG  21          2HH1      ARG  21 -13.389  -6.951   6.790
  123   2HH1  ARG  21          1HH1      ARG  21 -14.454  -7.323   5.465
  124   1HH2  ARG  21          2HH2      ARG  21 -12.838 -10.307   4.605
  125   2HH2  ARG  21          1HH2      ARG  21 -14.110  -9.199   4.198
  126    H    LYS  22           H        LYS  22  -6.610  -5.910   6.576
  127    HA   LYS  22           HA       LYS  22  -7.215  -4.072   8.628
  128   1HZ   LYS  22          1HZ       LYS  22  -4.139  -6.711  11.965
  129   2HZ   LYS  22          3HZ       LYS  22  -3.336  -5.312  12.490
  130   3HZ   LYS  22          2HZ       LYS  22  -4.828  -5.185  11.693
  131    H    SER  23           H        SER  23  -5.876  -3.679   5.386
  132    HA   SER  23           HA       SER  23  -5.288  -0.920   5.578
  133    HG   SER  23           HG       SER  23  -4.108  -0.670   2.757
  134    H    ILE  24           H        ILE  24  -8.164  -2.705   4.506
  135    HA   ILE  24           HA       ILE  24  -9.708  -0.517   3.649
  136    HB   ILE  24           HB       ILE  24 -10.766  -3.018   4.985
  137   1HG2  ILE  24          1HG2      ILE  24 -11.985  -0.840   3.352
  138   2HG2  ILE  24          2HG2      ILE  24 -12.644  -2.472   3.241
  139   3HG2  ILE  24          3HG2      ILE  24 -12.599  -1.643   4.796
  140   1HD1  ILE  24          1HD1      ILE  24 -11.292  -4.920   3.510
  141   2HD1  ILE  24          2HD1      ILE  24 -12.016  -4.039   2.163
  142   3HD1  ILE  24          3HD1      ILE  24 -10.571  -5.016   1.903
  143    H    GLN  25           H        GLN  25  -9.311  -2.012   6.815
  144    HA   GLN  25           HA       GLN  25 -11.214  -0.524   8.232
  145   1HE2  GLN  25          1HE2      GLN  25  -9.443  -3.518  10.334
  146   2HE2  GLN  25          2HE2      GLN  25  -9.154  -4.050  11.952
  147    H    TYR  26           H        TYR  26  -7.760   0.081   7.682
  148    HA   TYR  26           HA       TYR  26  -7.685   2.519   9.127
  149    HD1  TYR  26          1HD       TYR  26  -6.659   0.103   9.820
  150    HD2  TYR  26          2HD       TYR  26  -3.719   3.009   8.821
  151    HE1  TYR  26          1HE       TYR  26  -5.440  -0.425  11.887
  152    HE2  TYR  26          2HE       TYR  26  -2.492   2.487  10.884
  153    HH   TYR  26           HH       TYR  26  -3.176   1.506  13.225
  154    H    ALA  27           H        ALA  27  -8.368   1.717   5.770
  155    HA   ALA  27           HA       ALA  27  -8.326   4.339   4.731
  156   1HB   ALA  27          1HB       ALA  27  -8.619   1.871   3.648
  157   2HB   ALA  27          2HB       ALA  27 -10.263   2.495   3.517
  158   3HB   ALA  27          3HB       ALA  27  -8.923   3.380   2.788
  159    H    LYS  28           H        LYS  28 -10.990   2.377   6.042
  160    HA   LYS  28           HA       LYS  28 -13.004   4.308   5.592
  161   1HZ   LYS  28          2HZ       LYS  28 -15.578   1.256   8.301
  162   2HZ   LYS  28          1HZ       LYS  28 -15.514  -0.250   9.071
  163   3HZ   LYS  28          3HZ       LYS  28 -14.109   0.691   8.938
  164    H    MET  29           H        MET  29 -10.968   3.598   8.388
  165    HA   MET  29           HA       MET  29 -12.169   5.498  10.123
  166   1HE   MET  29          3HE       MET  29 -11.865   0.940  12.489
  167   2HE   MET  29          1HE       MET  29 -10.686   0.518  13.731
  168   3HE   MET  29          2HE       MET  29 -11.790   1.871  13.982
  169    H    GLY  30           H        GLY  30  -9.475   5.627   7.869
  170   1HA   GLY  30          2HA       GLY  30  -9.468   8.547   8.088
  171   2HA   GLY  30          1HA       GLY  30  -8.652   7.593   6.853
  172    H    GLY  31           H        GLY  31  -7.241   5.808   8.365
  173   1HA   GLY  31          2HA       GLY  31  -5.796   5.995  10.428
  174   2HA   GLY  31          1HA       GLY  31  -5.369   7.584   9.805
  175    H    ALA  32           H        ALA  32  -5.266   6.808   7.064
  176    HA   ALA  32           HA       ALA  32  -2.659   5.494   7.090
  177   1HB   ALA  32          2HB       ALA  32  -5.047   4.564   5.518
  178   2HB   ALA  32          3HB       ALA  32  -3.400   4.246   4.972
  179   3HB   ALA  32          1HB       ALA  32  -3.949   3.620   6.527
  180    H    LYS  33           H        LYS  33  -1.255   6.450   5.703
  181    HA   LYS  33           HA       LYS  33  -2.256   8.809   4.346
  182   1HZ   LYS  33          3HZ       LYS  33  -2.515  12.617   5.437
  183   2HZ   LYS  33          2HZ       LYS  33  -1.190  13.656   5.209
  184   3HZ   LYS  33          1HZ       LYS  33  -1.923  12.913   3.873
  185    H    LEU  34           H        LEU  34  -0.522   5.824   3.507
  186    HA   LEU  34           HA       LEU  34  -1.269   6.344   0.704
  187    HG   LEU  34           HG       LEU  34   2.135   6.376  -0.709
  188   1HD1  LEU  34          1HD1      LEU  34   1.359   3.964  -0.629
  189   2HD1  LEU  34          2HD1      LEU  34  -0.153   4.543  -1.330
  190   3HD1  LEU  34          3HD1      LEU  34   1.362   4.755  -2.204
  191   1HD2  LEU  34          3HD2      LEU  34  -0.807   6.954  -0.943
  192   2HD2  LEU  34          1HD2      LEU  34   0.513   8.118  -0.847
  193   3HD2  LEU  34          2HD2      LEU  34   0.341   7.096  -2.275
  194    H    ILE  35           H        ILE  35  -2.414   4.655  -0.020
  195    HA   ILE  35           HA       ILE  35  -1.955   2.038   1.245
  196    HB   ILE  35           HB       ILE  35  -4.319   3.033  -0.356
  197   1HG2  ILE  35          1HG2      ILE  35  -3.448   0.435  -0.259
  198   2HG2  ILE  35          2HG2      ILE  35  -4.615   0.500   1.064
  199   3HG2  ILE  35          3HG2      ILE  35  -5.106   0.948  -0.569
  200   1HD1  ILE  35          2HD1      ILE  35  -6.338   2.213   1.043
  201   2HD1  ILE  35          3HD1      ILE  35  -6.180   2.171   2.800
  202   3HD1  ILE  35          1HD1      ILE  35  -6.396   3.711   1.971
  203    H    ILE  36           H        ILE  36  -1.171   0.367   0.127
  204    HA   ILE  36           HA       ILE  36  -0.795   0.710  -2.780
  205    HB   ILE  36           HB       ILE  36   1.072  -0.694  -0.857
  206   1HG2  ILE  36          3HG2      ILE  36   1.042  -0.405  -3.839
  207   2HG2  ILE  36          1HG2      ILE  36   2.563  -0.609  -2.969
  208   3HG2  ILE  36          2HG2      ILE  36   1.312  -1.848  -2.861
  209   1HD1  ILE  36          1HD1      ILE  36   3.155   0.576  -0.286
  210   2HD1  ILE  36          2HD1      ILE  36   3.582   0.775  -1.987
  211   3HD1  ILE  36          3HD1      ILE  36   3.412   2.191  -0.950
  212    H    VAL  37           H        VAL  37  -1.547  -0.888  -4.041
  213    HA   VAL  37           HA       VAL  37  -2.329  -3.412  -2.731
  214    HB   VAL  37           HB       VAL  37  -4.239  -3.536  -4.348
  215   1HG1  VAL  37          1HG1      VAL  37  -4.059  -2.205  -1.923
  216   2HG1  VAL  37          2HG1      VAL  37  -4.950  -1.095  -2.964
  217   3HG1  VAL  37          3HG1      VAL  37  -5.536  -2.742  -2.724
  218   1HG2  VAL  37          2HG2      VAL  37  -3.176  -1.767  -5.878
  219   2HG2  VAL  37          3HG2      VAL  37  -4.923  -1.717  -5.642
  220   3HG2  VAL  37          1HG2      VAL  37  -3.884  -0.589  -4.772
  221    H    ALA  38           H        ALA  38  -1.745  -5.260  -3.713
  222    HA   ALA  38           HA       ALA  38   0.108  -5.215  -5.902
  223   1HB   ALA  38          3HB       ALA  38   0.628  -7.069  -4.770
  224   2HB   ALA  38          1HB       ALA  38  -0.974  -7.187  -4.043
  225   3HB   ALA  38          2HB       ALA  38  -0.690  -7.826  -5.662
  226    H    ARG  39           H        ARG  39  -0.257  -5.562  -8.052
  227    HA   ARG  39           HA       ARG  39  -2.856  -5.255  -9.096
  228    HE   ARG  39           HE       ARG  39  -1.236  -1.943 -11.989
  229   1HH1  ARG  39          2HH1      ARG  39   0.604  -3.822 -14.298
  230   2HH1  ARG  39          1HH1      ARG  39   0.881  -2.483 -15.371
  231   1HH2  ARG  39          2HH2      ARG  39  -0.864  -0.167 -13.387
  232   2HH2  ARG  39          1HH2      ARG  39   0.041  -0.395 -14.854
  233    H    ASN  40           H        ASN  40  -0.894  -8.090  -8.469
  234    HA   ASN  40           HA       ASN  40  -2.892  -9.844  -9.635
  235   1HD2  ASN  40          1HD2      ASN  40  -1.025 -12.196 -11.007
  236   2HD2  ASN  40          2HD2      ASN  40  -0.091 -11.296 -12.155
  237    H    ALA  41           H        ALA  41  -3.655  -8.252  -7.349
  238    HA   ALA  41           HA       ALA  41  -4.101 -10.310  -5.300
  239   1HB   ALA  41          2HB       ALA  41  -4.088  -7.349  -5.265
  240   2HB   ALA  41          3HB       ALA  41  -5.280  -8.149  -4.238
  241   3HB   ALA  41          1HB       ALA  41  -3.564  -8.502  -4.037
  242    H    ARG  42           H        ARG  42  -6.443 -10.133  -4.360
  243    HA   ARG  42           HA       ARG  42  -8.214 -10.886  -6.429
  244    HE   ARG  42           HE       ARG  42  -7.643 -14.206  -2.701
  245   1HH1  ARG  42          2HH1      ARG  42 -10.758 -13.638  -1.199
  246   2HH1  ARG  42          1HH1      ARG  42 -10.638 -15.014  -0.139
  247   1HH2  ARG  42          2HH2      ARG  42  -7.441 -15.965  -1.263
  248   2HH2  ARG  42          1HH2      ARG  42  -8.732 -16.319  -0.146
  249    HA   PRO  43           HA       PRO  43  -9.309  -6.937  -8.033
  250    H    ASP  44           H        ASP  44 -11.839  -8.833  -6.398
  251    HA   ASP  44           HA       ASP  44 -13.620  -6.720  -5.887
  252    H    ILE  45           H        ILE  45 -10.893  -7.985  -4.066
  253    HA   ILE  45           HA       ILE  45 -11.134  -6.326  -1.789
  254    HB   ILE  45           HB       ILE  45  -8.720  -7.689  -2.979
  255   1HG2  ILE  45          3HG2      ILE  45  -8.718  -5.662  -1.067
  256   2HG2  ILE  45          1HG2      ILE  45  -8.533  -7.159  -0.153
  257   3HG2  ILE  45          2HG2      ILE  45  -7.401  -6.772  -1.449
  258   1HD1  ILE  45          2HD1      ILE  45 -10.698  -7.457   0.033
  259   2HD1  ILE  45          3HD1      ILE  45 -11.876  -8.541  -0.709
  260   3HD1  ILE  45          1HD1      ILE  45 -10.681  -9.178   0.422
  261    H    LYS  46           H        LYS  46  -9.196  -6.016  -4.761
  262    HA   LYS  46           HA       LYS  46  -7.967  -3.577  -4.119
  263   1HZ   LYS  46          1HZ       LYS  46  -6.956  -3.483  -8.833
  264   2HZ   LYS  46          3HZ       LYS  46  -6.388  -2.357  -7.699
  265   3HZ   LYS  46          2HZ       LYS  46  -5.557  -2.588  -9.161
  266    H    GLU  47           H        GLU  47 -10.938  -4.214  -5.973
  267    HA   GLU  47           HA       GLU  47 -11.587  -1.552  -6.525
  268    H    ASP  48           H        ASP  48 -12.362  -3.559  -3.723
  269    HA   ASP  48           HA       ASP  48 -14.167  -1.744  -2.525
  270    H    ILE  49           H        ILE  49 -10.728  -2.372  -1.908
  271    HA   ILE  49           HA       ILE  49 -10.388  -0.377   0.040
  272    HB   ILE  49           HB       ILE  49  -8.299  -1.518  -1.823
  273   1HG2  ILE  49          2HG2      ILE  49  -8.140   0.160   0.651
  274   2HG2  ILE  49          3HG2      ILE  49  -6.833  -0.950   0.231
  275   3HG2  ILE  49          1HG2      ILE  49  -7.284   0.342  -0.882
  276   1HD1  ILE  49          1HD1      ILE  49  -6.677  -2.765  -0.284
  277   2HD1  ILE  49          2HD1      ILE  49  -7.320  -3.613   1.125
  278   3HD1  ILE  49          3HD1      ILE  49  -7.555  -4.282  -0.490
  279    H    GLU  50           H        GLU  50  -9.579  -0.319  -3.439
  280    HA   GLU  50           HA       GLU  50  -8.517   2.252  -3.506
  281    H    TYR  51           H        TYR  51 -11.875   1.215  -4.035
  282    HA   TYR  51           HA       TYR  51 -12.888   3.763  -4.672
  283    HD1  TYR  51          1HD       TYR  51 -16.512   1.597  -2.840
  284    HD2  TYR  51          2HD       TYR  51 -14.823   4.477  -5.471
  285    HE1  TYR  51          1HE       TYR  51 -18.615   2.868  -2.787
  286    HE2  TYR  51          2HE       TYR  51 -16.921   5.752  -5.432
  287    HH   TYR  51           HH       TYR  51 -19.521   5.019  -4.923
  288    H    TYR  52           H        TYR  52 -12.864   1.983  -1.580
  289    HA   TYR  52           HA       TYR  52 -14.137   4.024  -0.120
  290    HD1  TYR  52          1HD       TYR  52 -14.597   2.042   3.224
  291    HD2  TYR  52          2HD       TYR  52 -15.039   1.486  -0.964
  292    HE1  TYR  52          1HE       TYR  52 -16.867   1.180   3.589
  293    HE2  TYR  52          2HE       TYR  52 -17.316   0.621  -0.613
  294    HH   TYR  52           HH       TYR  52 -18.600  -0.493   1.271
  295    H    ALA  53           H        ALA  53 -10.699   3.324  -0.624
  296    HA   ALA  53           HA       ALA  53  -9.710   5.272   1.166
  297   1HB   ALA  53          2HB       ALA  53  -7.976   3.952   0.588
  298   2HB   ALA  53          1HB       ALA  53  -7.754   5.146  -0.690
  299   3HB   ALA  53          3HB       ALA  53  -8.612   3.643  -1.026
  300    H    ARG  54           H        ARG  54 -10.560   5.378  -2.258
  301    HA   ARG  54           HA       ARG  54  -9.721   8.000  -2.806
  302    HE   ARG  54           HE       ARG  54 -10.880   9.784  -7.455
  303   1HH1  ARG  54          2HH1      ARG  54  -8.817  10.117  -4.633
  304   2HH1  ARG  54          1HH1      ARG  54  -7.534  10.883  -5.522
  305   1HH2  ARG  54          2HH2      ARG  54  -9.192  10.773  -8.603
  306   2HH2  ARG  54          1HH2      ARG  54  -7.727  11.219  -7.779
  307    H    LEU  55           H        LEU  55 -12.719   6.726  -1.451
  308    HA   LEU  55           HA       LEU  55 -14.232   9.106  -1.476
  309    HG   LEU  55           HG       LEU  55 -14.729   6.034  -1.808
  310   1HD1  LEU  55          1HD1      LEU  55 -16.848   6.014   0.280
  311   2HD1  LEU  55          2HD1      LEU  55 -17.198   5.289  -1.291
  312   3HD1  LEU  55          3HD1      LEU  55 -15.844   4.695  -0.328
  313   1HD2  LEU  55          3HD2      LEU  55 -16.832   8.177  -1.757
  314   2HD2  LEU  55          1HD2      LEU  55 -15.569   7.899  -2.957
  315   3HD2  LEU  55          2HD2      LEU  55 -16.935   6.789  -2.843
  316    H    SER  56           H        SER  56 -12.182   7.666   1.035
  317    HA   SER  56           HA       SER  56 -12.488   9.779   2.902
  318    HG   SER  56           HG       SER  56 -11.415   6.546   4.093
  319    H    GLY  57           H        GLY  57 -10.317   9.213   0.232
  320   1HA   GLY  57          2HA       GLY  57  -9.212  11.915   0.606
  321   2HA   GLY  57          1HA       GLY  57  -9.276  11.041  -0.919
  322    H    ILE  58           H        ILE  58  -8.361   8.553   0.242
  323    HA   ILE  58           HA       ILE  58  -5.598   9.205   1.007
  324    HB   ILE  58           HB       ILE  58  -7.002   6.525   1.092
  325   1HG2  ILE  58          2HG2      ILE  58  -4.263   7.252   1.289
  326   2HG2  ILE  58          3HG2      ILE  58  -4.802   6.689   2.871
  327   3HG2  ILE  58          1HG2      ILE  58  -4.995   5.654   1.454
  328   1HD1  ILE  58          3HD1      ILE  58  -6.334   6.079   4.054
  329   2HD1  ILE  58          1HD1      ILE  58  -7.684   6.965   4.764
  330   3HD1  ILE  58          2HD1      ILE  58  -7.963   5.871   3.408
  331    HA   PRO  59           HA       PRO  59  -4.521   8.277  -3.239
  332    H    VAL  60           H        VAL  60  -4.256   6.400  -4.278
  333    HA   VAL  60           HA       VAL  60  -3.209   4.108  -2.746
  334    HB   VAL  60           HB       VAL  60  -5.266   4.022  -4.963
  335   1HG1  VAL  60          2HG1      VAL  60  -4.151   1.909  -3.135
  336   2HG1  VAL  60          3HG1      VAL  60  -5.617   1.696  -4.089
  337   3HG1  VAL  60          1HG1      VAL  60  -4.073   1.970  -4.894
  338   1HG2  VAL  60          1HG2      VAL  60  -5.847   5.055  -2.605
  339   2HG2  VAL  60          2HG2      VAL  60  -6.968   3.978  -3.440
  340   3HG2  VAL  60          3HG2      VAL  60  -5.945   3.355  -2.147
  341    H    TYR  61           H        TYR  61  -1.426   3.216  -3.539
  342    HA   TYR  61           HA       TYR  61  -0.719   3.723  -6.347
  343    HD1  TYR  61          1HD       TYR  61   1.378   4.439  -7.393
  344    HD2  TYR  61          2HD       TYR  61   2.680   1.294  -4.845
  345    HE1  TYR  61          1HE       TYR  61   3.008   3.747  -9.094
  346    HE2  TYR  61          2HE       TYR  61   4.319   0.593  -6.542
  347    HH   TYR  61           HH       TYR  61   4.204   1.598  -9.718
  348    H    GLU  62           H        GLU  62  -0.747   2.087  -7.768
  349    HA   GLU  62           HA       GLU  62  -1.471  -0.552  -6.745
  350    H    PHE  63           H        PHE  63   0.009  -2.029  -6.480
  351    HA   PHE  63           HA       PHE  63   2.716  -1.669  -7.373
  352    HD1  PHE  63          1HD       PHE  63   4.640  -2.413  -6.765
  353    HD2  PHE  63          2HD       PHE  63   2.530  -5.870  -5.464
  354    HE1  PHE  63          1HE       PHE  63   6.729  -3.710  -6.824
  355    HE2  PHE  63          2HE       PHE  63   4.615  -7.168  -5.521
  356    HZ   PHE  63           HZ       PHE  63   6.715  -6.081  -6.188
  357    H    GLU  64           H        GLU  64   3.523  -2.346  -9.244
  358    HA   GLU  64           HA       GLU  64   1.981  -4.000 -11.030
  359    H    GLY  65           H        GLY  65   2.092  -5.622  -9.079
  360   1HA   GLY  65          2HA       GLY  65   4.358  -7.079  -8.490
  361   2HA   GLY  65          1HA       GLY  65   3.678  -7.824  -9.931
  362    H    THR  66           H        THR  66   3.497  -9.661  -8.467
  363    HA   THR  66           HA       THR  66   0.833  -9.845  -7.422
  364    HB   THR  66           HB       THR  66   1.815 -11.729  -8.665
  365    HG1  THR  66          1HG       THR  66   0.657 -13.048  -7.464
  366   1HG2  THR  66          3HG2      THR  66   4.104 -11.254  -7.256
  367   2HG2  THR  66          2HG2      THR  66   3.465 -12.678  -6.434
  368   3HG2  THR  66          1HG2      THR  66   3.770 -12.725  -8.171
  369    H    SER  67           H        SER  67   0.435 -10.833  -5.274
  370    HA   SER  67           HA       SER  67   1.409  -9.215  -3.217
  371    HG   SER  67           HG       SER  67  -1.151  -9.387  -2.953
  372    H    VAL  68           H        VAL  68   2.453 -12.356  -4.386
  373    HA   VAL  68           HA       VAL  68   4.147 -13.110  -2.272
  374    HB   VAL  68           HB       VAL  68   4.701 -13.654  -5.192
  375   1HG1  VAL  68          3HG1      VAL  68   6.177 -14.309  -3.023
  376   2HG1  VAL  68          1HG1      VAL  68   5.125 -15.720  -3.145
  377   3HG1  VAL  68          2HG1      VAL  68   6.133 -15.250  -4.515
  378   1HG2  VAL  68          1HG2      VAL  68   2.355 -14.308  -3.763
  379   2HG2  VAL  68          2HG2      VAL  68   2.842 -14.845  -5.372
  380   3HG2  VAL  68          3HG2      VAL  68   3.286 -15.794  -3.953
  381    H    GLU  69           H        GLU  69   4.785 -11.234  -5.206
  382    HA   GLU  69           HA       GLU  69   7.525 -10.757  -4.716
  383    H    LEU  70           H        LEU  70   4.597  -8.917  -3.983
  384    HA   LEU  70           HA       LEU  70   5.853  -6.614  -2.986
  385    HG   LEU  70           HG       LEU  70   3.940  -5.824  -0.762
  386   1HD1  LEU  70          1HD1      LEU  70   5.224  -4.828  -2.735
  387   2HD1  LEU  70          2HD1      LEU  70   3.666  -4.176  -3.241
  388   3HD1  LEU  70          3HD1      LEU  70   4.345  -3.722  -1.678
  389   1HD2  LEU  70          3HD2      LEU  70   1.497  -6.336  -1.863
  390   2HD2  LEU  70          1HD2      LEU  70   1.816  -5.121  -0.625
  391   3HD2  LEU  70          2HD2      LEU  70   1.764  -4.655  -2.325
  392    H    GLY  71           H        GLY  71   4.756  -9.552  -1.318
  393   1HA   GLY  71          2HA       GLY  71   5.294 -10.421   0.739
  394   2HA   GLY  71          1HA       GLY  71   5.498  -8.763   1.291
  395    H    THR  72           H        THR  72   7.251 -10.643  -1.161
  396    HA   THR  72           HA       THR  72   9.568 -11.109   0.358
  397    HB   THR  72           HB       THR  72   9.366 -10.816  -2.649
  398    HG1  THR  72          1HG       THR  72   8.086 -12.503  -2.341
  399   1HG2  THR  72          3HG2      THR  72  11.529 -11.595  -0.827
  400   2HG2  THR  72          2HG2      THR  72  11.231 -12.745  -2.130
  401   3HG2  THR  72          1HG2      THR  72  11.600 -11.062  -2.507
  402    H    LEU  73           H        LEU  73   8.579  -8.393  -1.644
  403    HA   LEU  73           HA       LEU  73  11.061  -7.020  -1.631
  404    HG   LEU  73           HG       LEU  73   9.918  -4.107  -1.630
  405   1HD1  LEU  73          2HD1      LEU  73  11.354  -5.621  -3.774
  406   2HD1  LEU  73          3HD1      LEU  73  11.594  -3.885  -3.566
  407   3HD1  LEU  73          1HD1      LEU  73  11.974  -4.992  -2.246
  408   1HD2  LEU  73          3HD2      LEU  73   8.013  -4.253  -3.505
  409   2HD2  LEU  73          1HD2      LEU  73   9.049  -2.841  -3.292
  410   3HD2  LEU  73          2HD2      LEU  73   9.423  -4.029  -4.542
  411    H    LEU  74           H        LEU  74   8.197  -6.910   0.445
  412    HA   LEU  74           HA       LEU  74   9.039  -4.834   2.168
  413    HG   LEU  74           HG       LEU  74   6.396  -5.458   1.040
  414   1HD1  LEU  74          1HD1      LEU  74   5.035  -6.270   3.572
  415   2HD1  LEU  74          2HD1      LEU  74   4.213  -5.211   2.426
  416   3HD1  LEU  74          3HD1      LEU  74   4.748  -6.813   1.919
  417   1HD2  LEU  74          3HD2      LEU  74   7.370  -3.520   2.213
  418   2HD2  LEU  74          1HD2      LEU  74   5.628  -3.363   1.977
  419   3HD2  LEU  74          2HD2      LEU  74   6.268  -3.804   3.560
  420    H    GLY  75           H        GLY  75   9.217  -8.366   2.524
  421   1HA   GLY  75          2HA       GLY  75  11.171  -8.022   4.689
  422   2HA   GLY  75          1HA       GLY  75  11.641  -8.960   3.276
  423    H    ARG  76           H        ARG  76   8.609  -8.752   5.091
  424    HA   ARG  76           HA       ARG  76   8.826 -11.339   6.274
  425    HE   ARG  76           HE       ARG  76   5.186 -12.221   9.394
  426   1HH1  ARG  76          2HH1      ARG  76   3.115  -9.449   8.853
  427   2HH1  ARG  76          1HH1      ARG  76   1.969  -9.901  10.083
  428   1HH2  ARG  76          2HH2      ARG  76   3.694 -12.825  11.008
  429   2HH2  ARG  76          1HH2      ARG  76   2.291 -11.832  11.301
  430    HA   PRO  77           HA       PRO  77   7.833 -13.505   2.520
  431    H    HIS  78           H        HIS  78   5.649 -12.239   3.740
  432    HA   HIS  78           HA       HIS  78   3.545 -14.289   3.536
  433    HD1  HIS  78          1HD       HIS  78   1.625 -12.471   7.109
  434    HD2  HIS  78          2HD       HIS  78   4.837 -14.771   5.793
  435    HE1  HIS  78          1HE       HIS  78   2.155 -14.053   8.997
  436    HE2  HIS  78          2HE       HIS  78   4.035 -15.502   8.146
  437    H    THR  79           H        THR  79   1.918 -14.040   2.066
  438    HA   THR  79           HA       THR  79   2.538 -12.416  -0.223
  439    HB   THR  79           HB       THR  79   0.333 -13.394  -1.075
  440    HG1  THR  79          1HG       THR  79   0.419 -15.472   0.691
  441   1HG2  THR  79          2HG2      THR  79   2.752 -14.286  -1.381
  442   2HG2  THR  79          1HG2      THR  79   2.246 -15.546  -0.257
  443   3HG2  THR  79          3HG2      THR  79   1.394 -15.336  -1.786
  444    H    VAL  80           H        VAL  80   2.394 -10.336   0.845
  445    HA   VAL  80           HA       VAL  80  -0.024  -9.442   2.026
  446    HB   VAL  80           HB       VAL  80   2.280  -7.820   0.930
  447   1HG1  VAL  80          2HG1      VAL  80  -0.039  -6.708   1.380
  448   2HG1  VAL  80          3HG1      VAL  80   0.429  -6.871   3.073
  449   3HG1  VAL  80          1HG1      VAL  80   1.436  -5.939   1.966
  450   1HG2  VAL  80          1HG2      VAL  80   2.878  -9.456   2.697
  451   2HG2  VAL  80          2HG2      VAL  80   3.123  -7.778   3.180
  452   3HG2  VAL  80          3HG2      VAL  80   1.717  -8.669   3.765
  453    H    SER  81           H        SER  81  -1.848  -9.012   1.030
  454    HA   SER  81           HA       SER  81  -1.974  -8.703  -1.822
  455    HG   SER  81           HG       SER  81  -3.632 -10.842  -0.958
  456    H    ALA  82           H        ALA  82  -2.433  -6.675   0.991
  457    HA   ALA  82           HA       ALA  82  -2.048  -4.275  -0.567
  458   1HB   ALA  82          1HB       ALA  82  -4.530  -4.823  -0.670
  459   2HB   ALA  82          2HB       ALA  82  -4.568  -4.503   1.065
  460   3HB   ALA  82          3HB       ALA  82  -4.107  -3.223  -0.057
  461    H    LEU  83           H        LEU  83  -1.488  -2.492   0.744
  462    HA   LEU  83           HA       LEU  83  -1.322  -2.919   3.619
  463    HG   LEU  83           HG       LEU  83   0.838  -2.649   0.657
  464   1HD1  LEU  83          1HD1      LEU  83   1.081  -0.419   1.902
  465   2HD1  LEU  83          2HD1      LEU  83   2.750  -0.919   2.185
  466   3HD1  LEU  83          3HD1      LEU  83   2.153  -0.729   0.536
  467   1HD2  LEU  83          2HD2      LEU  83   2.517  -4.288   2.004
  468   2HD2  LEU  83          3HD2      LEU  83   2.815  -3.676   0.376
  469   3HD2  LEU  83          1HD2      LEU  83   3.546  -2.875   1.766
  470    H    ALA  84           H        ALA  84  -1.011  -1.029   4.822
  471    HA   ALA  84           HA       ALA  84  -1.389   1.442   3.259
  472   1HB   ALA  84          3HB       ALA  84  -2.474   1.077   6.029
  473   2HB   ALA  84          2HB       ALA  84  -3.371   0.516   4.617
  474   3HB   ALA  84          1HB       ALA  84  -2.967   2.224   4.785
  475    H    VAL  85           H        VAL  85   0.277   2.748   3.417
  476    HA   VAL  85           HA       VAL  85   2.187   2.576   5.578
  477    HB   VAL  85           HB       VAL  85   2.067   4.662   3.394
  478   1HG1  VAL  85          2HG1      VAL  85   3.615   4.598   5.624
  479   2HG1  VAL  85          3HG1      VAL  85   4.648   3.766   4.461
  480   3HG1  VAL  85          1HG1      VAL  85   4.060   5.393   4.114
  481   1HG2  VAL  85          2HG2      VAL  85   2.342   1.949   2.967
  482   2HG2  VAL  85          3HG2      VAL  85   2.859   3.233   1.874
  483   3HG2  VAL  85          1HG2      VAL  85   4.006   2.529   3.013
  484    H    VAL  86           H        VAL  86   1.990   3.623   7.414
  485    HA   VAL  86           HA       VAL  86  -0.072   5.658   7.692
  486    HB   VAL  86           HB       VAL  86   1.612   4.388   9.857
  487   1HG1  VAL  86          2HG1      VAL  86   0.446   6.578  10.338
  488   2HG1  VAL  86          3HG1      VAL  86  -1.077   5.713  10.128
  489   3HG1  VAL  86          1HG1      VAL  86   0.040   5.236  11.407
  490   1HG2  VAL  86          1HG2      VAL  86   0.220   2.792   8.461
  491   2HG2  VAL  86          2HG2      VAL  86  -0.078   2.781  10.199
  492   3HG2  VAL  86          3HG2      VAL  86  -1.197   3.610   9.115
  493    H    ASP  87           H        ASP  87   3.408   5.285   8.299
  494    HA   ASP  87           HA       ASP  87   3.575   8.209   8.647
  495    HA   PRO  88           HA       PRO  88   6.306   7.306   5.058
  496    H    GLY  89           H        GLY  89   6.831   9.209   7.033
  497   1HA   GLY  89          2HA       GLY  89   7.816  11.245   7.418
  498   2HA   GLY  89          1HA       GLY  89   6.809  11.873   6.123
  499    H    GLU  90           H        GLU  90   9.492   9.528   6.198
  500    HA   GLU  90           HA       GLU  90  11.140  11.355   4.647
  501    H    SER  91           H        SER  91   9.561   8.229   4.303
  502    HA   SER  91           HA       SER  91  10.639   7.569   1.780
  503    HG   SER  91           HG       SER  91   7.546   7.689   3.204
  504    H    ARG  92           H        ARG  92  10.117   8.198  -0.229
  505    HA   ARG  92           HA       ARG  92   8.082  10.249  -0.546
  506    HE   ARG  92           HE       ARG  92  12.118  11.756   0.359
  507   1HH1  ARG  92          2HH1      ARG  92   9.302  13.844   0.450
  508   2HH1  ARG  92          1HH1      ARG  92   9.913  14.806   1.766
  509   1HH2  ARG  92          2HH2      ARG  92  12.885  12.970   2.112
  510   2HH2  ARG  92          1HH2      ARG  92  11.940  14.293   2.731
  511    H    ILE  93           H        ILE  93   7.219   7.563   0.044
  512    HA   ILE  93           HA       ILE  93   6.267   6.264  -2.280
  513    HB   ILE  93           HB       ILE  93   6.561   5.142  -0.083
  514   1HG2  ILE  93          3HG2      ILE  93   4.613   7.140   0.735
  515   2HG2  ILE  93          1HG2      ILE  93   4.176   5.504   1.229
  516   3HG2  ILE  93          2HG2      ILE  93   5.734   6.182   1.703
  517   1HD1  ILE  93          2HD1      ILE  93   6.405   3.959  -2.145
  518   2HD1  ILE  93          3HD1      ILE  93   5.082   2.792  -2.168
  519   3HD1  ILE  93          1HD1      ILE  93   4.946   4.299  -3.077
  520    H    LEU  94           H        LEU  94   5.065   8.892  -0.363
  521    HA   LEU  94           HA       LEU  94   2.349   8.828  -1.186
  522    HG   LEU  94           HG       LEU  94   3.574   9.242   1.442
  523   1HD1  LEU  94          3HD1      LEU  94   3.745  11.962   1.732
  524   2HD1  LEU  94          1HD1      LEU  94   2.247  11.577   2.580
  525   3HD1  LEU  94          2HD1      LEU  94   3.753  10.786   3.047
  526   1HD2  LEU  94          1HD2      LEU  94   1.301   8.766   0.664
  527   2HD2  LEU  94          2HD2      LEU  94   1.328   9.188   2.377
  528   3HD2  LEU  94          3HD2      LEU  94   0.791  10.373   1.183
  529    H    ALA  95           H        ALA  95   5.275   9.883  -2.686
  530    HA   ALA  95           HA       ALA  95   4.096  11.606  -4.638
  531   1HB   ALA  95          2HB       ALA  95   6.334  12.055  -4.368
  532   2HB   ALA  95          3HB       ALA  95   6.776  10.352  -4.257
  533   3HB   ALA  95          1HB       ALA  95   6.364  11.056  -5.821
  534    H    LEU  96           H        LEU  96   4.918   8.183  -4.481
  535    HA   LEU  96           HA       LEU  96   4.295   7.678  -7.234
  536    HG   LEU  96           HG       LEU  96   6.721   6.917  -5.482
  537   1HD1  LEU  96          3HD1      LEU  96   6.185   4.151  -5.302
  538   2HD1  LEU  96          1HD1      LEU  96   7.462   4.366  -6.503
  539   3HD1  LEU  96          2HD1      LEU  96   7.664   5.011  -4.871
  540   1HD2  LEU  96          1HD2      LEU  96   5.791   6.302  -8.166
  541   2HD2  LEU  96          2HD2      LEU  96   7.015   7.454  -7.627
  542   3HD2  LEU  96          3HD2      LEU  96   7.446   5.762  -7.880
  543    H    GLY  97           H        GLY  97   2.566   7.608  -4.203
  544   1HA   GLY  97          2HA       GLY  97   0.377   7.079  -3.690
  545   2HA   GLY  97          1HA       GLY  97   0.267   6.219  -5.220
  546    H    GLY  98           H        GLY  98   0.965   9.626  -4.471
  547   1HA   GLY  98          2HA       GLY  98  -0.157  11.553  -5.062
  548   2HA   GLY  98          1HA       GLY  98  -1.570  10.566  -5.414
  549    H    LYS  99           H        LYS  99  -2.209  10.990  -7.412
  550    HA   LYS  99           HA       LYS  99  -0.580  10.298  -9.619
  551   1HZ   LYS  99          3HZ       LYS  99  -3.749   7.054  -7.051
  552   2HZ   LYS  99          2HZ       LYS  99  -3.952   5.623  -7.942
  553   3HZ   LYS  99          1HZ       LYS  99  -2.394   6.230  -7.650
  554    H    GLU 100           H        GLU 100  -1.410  13.356  -8.132
  555    HA   GLU 100           HA       GLU 100   0.820  14.641  -9.373

  No H/Q in entry =         555
  Start of MODEL    3
    1    H1   GLY  -2          1H        GLY  -2   9.947   5.358 -13.940
    2    H2   GLY  -2          3H        GLY  -2   9.049   6.546 -13.132
    3    H3   GLY  -2          2H        GLY  -2  10.006   6.967 -14.467
    4   1HA   GLY  -2          1HA       GLY  -2  10.730   7.049 -11.812
    5   2HA   GLY  -2          2HA       GLY  -2  11.773   7.294 -13.207
    6    H    SER  -1           H        SER  -1  13.603   6.275 -12.569
    7    HA   SER  -1           HA       SER  -1  13.547   3.385 -12.454
    8    HG   SER  -1           HG       SER  -1  16.487   5.827 -11.790
    9    H    VAL   1           H        VAL   1  12.194   4.556 -10.313
   10    HA   VAL   1           HA       VAL   1  13.823   4.635  -7.967
   11    HB   VAL   1           HB       VAL   1  11.740   5.903  -8.076
   12   1HG1  VAL   1          1HG1      VAL   1  10.637   3.852  -9.381
   13   2HG1  VAL   1          2HG1      VAL   1  10.025   3.511  -7.762
   14   3HG1  VAL   1          3HG1      VAL   1   9.685   5.064  -8.525
   15   1HG2  VAL   1          2HG2      VAL   1  12.210   3.888  -5.972
   16   2HG2  VAL   1          3HG2      VAL   1  12.103   5.647  -5.864
   17   3HG2  VAL   1          1HG2      VAL   1  10.632   4.678  -5.959
   18    H    ASP   2           H        ASP   2  14.200   3.077  -6.477
   19    HA   ASP   2           HA       ASP   2  14.184   0.379  -7.269
   20    H    PHE   3           H        PHE   3  12.053   2.239  -5.197
   21    HA   PHE   3           HA       PHE   3   9.893   1.954  -4.546
   22    HD1  PHE   3          1HD       PHE   3   8.583  -2.104  -5.124
   23    HD2  PHE   3          2HD       PHE   3   7.352   1.950  -5.514
   24    HE1  PHE   3          1HE       PHE   3   6.351  -2.707  -4.296
   25    HE2  PHE   3          2HE       PHE   3   5.112   1.352  -4.690
   26    HZ   PHE   3           HZ       PHE   3   4.611  -0.979  -4.079
   27    H    ALA   4           H        ALA   4  11.678  -1.107  -4.570
   28    HA   ALA   4           HA       ALA   4  10.557  -2.232  -2.266
   29   1HB   ALA   4          3HB       ALA   4  13.161  -2.606  -3.700
   30   2HB   ALA   4          1HB       ALA   4  12.825  -3.463  -2.195
   31   3HB   ALA   4          2HB       ALA   4  11.778  -3.697  -3.598
   32    H    PHE   5           H        PHE   5  13.429  -0.211  -2.708
   33    HA   PHE   5           HA       PHE   5  14.307  -0.127  -0.062
   34    HD1  PHE   5          1HD       PHE   5  16.111   0.783   0.915
   35    HD2  PHE   5          2HD       PHE   5  15.401   4.028  -1.749
   36    HE1  PHE   5          1HE       PHE   5  17.301   2.295   2.445
   37    HE2  PHE   5          2HE       PHE   5  16.593   5.543  -0.222
   38    HZ   PHE   5           HZ       PHE   5  17.532   4.696   1.868
   39    H    GLU   6           H        GLU   6  11.983   1.960  -1.767
   40    HA   GLU   6           HA       GLU   6  11.533   3.767   0.325
   41    H    LEU   7           H        LEU   7   9.760   0.794  -0.530
   42    HA   LEU   7           HA       LEU   7   7.862   1.024   1.537
   43    HG   LEU   7           HG       LEU   7   7.784  -0.073  -1.511
   44   1HD1  LEU   7          3HD1      LEU   7   5.896  -2.143  -0.413
   45   2HD1  LEU   7          1HD1      LEU   7   5.777  -1.416  -2.015
   46   3HD1  LEU   7          2HD1      LEU   7   7.179  -2.400  -1.595
   47   1HD2  LEU   7          1HD2      LEU   7   6.274   0.855   0.724
   48   2HD2  LEU   7          2HD2      LEU   7   6.342   1.509  -0.911
   49   3HD2  LEU   7          3HD2      LEU   7   5.163   0.263  -0.507
   50    H    ARG   8           H        ARG   8  10.985  -0.652   1.413
   51    HA   ARG   8           HA       ARG   8  10.813  -1.833   3.980
   52    HE   ARG   8           HE       ARG   8  15.062  -3.795   3.498
   53   1HH1  ARG   8          2HH1      ARG   8  12.671  -5.808   1.920
   54   2HH1  ARG   8          1HH1      ARG   8  12.634  -6.991   3.195
   55   1HH2  ARG   8          2HH2      ARG   8  15.034  -5.341   5.163
   56   2HH2  ARG   8          1HH2      ARG   8  13.995  -6.733   5.043
   57    H    LYS   9           H        LYS   9  12.125   1.237   2.834
   58    HA   LYS   9           HA       LYS   9  13.203   2.103   5.291
   59   1HZ   LYS   9          2HZ       LYS   9  15.392   3.894   6.519
   60   2HZ   LYS   9          1HZ       LYS   9  16.656   4.966   6.142
   61   3HZ   LYS   9          3HZ       LYS   9  15.903   5.040   7.660
   62    H    ALA  10           H        ALA  10  10.083   2.702   3.719
   63    HA   ALA  10           HA       ALA  10   9.082   4.444   5.705
   64   1HB   ALA  10          2HB       ALA  10   6.822   3.554   4.642
   65   2HB   ALA  10          3HB       ALA  10   7.883   4.675   3.787
   66   3HB   ALA  10          1HB       ALA  10   7.935   2.951   3.414
   67    H    GLN  11           H        GLN  11   9.072   0.952   5.371
   68    HA   GLN  11           HA       GLN  11   7.032   0.461   7.250
   69   1HE2  GLN  11          1HE2      GLN  11   5.593  -3.667   6.594
   70   2HE2  GLN  11          2HE2      GLN  11   6.431  -5.047   5.978
   71    H    ASP  12           H        ASP  12  10.597   0.425   7.642
   72    HA   ASP  12           HA       ASP  12  10.242  -0.207  10.440
   73    H    THR  13           H        THR  13  11.400   2.568   8.586
   74    HA   THR  13           HA       THR  13  11.973   4.140  10.890
   75    HB   THR  13           HB       THR  13  11.452   5.085   8.064
   76    HG1  THR  13          1HG       THR  13  13.138   3.419   8.375
   77   1HG2  THR  13          2HG2      THR  13  12.926   6.325  10.390
   78   2HG2  THR  13          1HG2      THR  13  12.998   6.925   8.733
   79   3HG2  THR  13          3HG2      THR  13  11.467   6.933   9.608
   80    H    GLY  14           H        GLY  14   9.235   4.038   8.633
   81   1HA   GLY  14          2HA       GLY  14   7.334   5.478   8.713
   82   2HA   GLY  14          1HA       GLY  14   7.770   5.906  10.361
   83    H    LYS  15           H        LYS  15   5.622   4.249   8.548
   84    HA   LYS  15           HA       LYS  15   5.249   1.899  10.120
   85   1HZ   LYS  15          3HZ       LYS  15   0.863   4.598  14.021
   86   2HZ   LYS  15          2HZ       LYS  15   1.063   3.318  15.114
   87   3HZ   LYS  15          1HZ       LYS  15   2.086   4.666  15.193
   88    H    ILE  16           H        ILE  16   4.209   0.450   8.889
   89    HA   ILE  16           HA       ILE  16   2.338   1.406   6.833
   90    HB   ILE  16           HB       ILE  16   4.553  -0.598   6.342
   91   1HG2  ILE  16          1HG2      ILE  16   2.166  -0.980   5.342
   92   2HG2  ILE  16          2HG2      ILE  16   2.653   0.298   4.227
   93   3HG2  ILE  16          3HG2      ILE  16   3.600  -1.188   4.333
   94   1HD1  ILE  16          1HD1      ILE  16   5.337  -0.056   3.954
   95   2HD1  ILE  16          2HD1      ILE  16   5.279   1.618   3.401
   96   3HD1  ILE  16          3HD1      ILE  16   6.563   1.092   4.490
   97    H    VAL  17           H        VAL  17   0.472   0.364   6.977
   98    HA   VAL  17           HA       VAL  17   0.232  -2.015   8.626
   99    HB   VAL  17           HB       VAL  17  -1.890  -0.524   7.065
  100   1HG1  VAL  17          2HG1      VAL  17  -2.039  -3.061   8.090
  101   2HG1  VAL  17          3HG1      VAL  17  -2.706  -2.076   9.393
  102   3HG1  VAL  17          1HG1      VAL  17  -3.409  -1.995   7.779
  103   1HG2  VAL  17          2HG2      VAL  17  -1.060  -0.338   9.957
  104   2HG2  VAL  17          3HG2      VAL  17  -0.953   0.926   8.732
  105   3HG2  VAL  17          1HG2      VAL  17  -2.531   0.373   9.290
  106    H    MET  18           H        MET  18   0.404  -4.016   7.820
  107    HA   MET  18           HA       MET  18   0.216  -4.333   4.902
  108   1HE   MET  18          3HE       MET  18   3.018  -6.838   7.631
  109   2HE   MET  18          1HE       MET  18   3.210  -8.592   7.566
  110   3HE   MET  18          2HE       MET  18   4.619  -7.544   7.415
  111    H    GLY  19           H        GLY  19  -1.371  -5.532   4.075
  112   1HA   GLY  19          2HA       GLY  19  -3.179  -6.932   5.860
  113   2HA   GLY  19          1HA       GLY  19  -2.285  -7.971   4.757
  114    H    ALA  20           H        ALA  20  -5.163  -6.681   5.149
  115    HA   ALA  20           HA       ALA  20  -5.655  -5.460   2.592
  116   1HB   ALA  20          1HB       ALA  20  -6.654  -8.265   3.097
  117   2HB   ALA  20          2HB       ALA  20  -7.262  -7.208   1.823
  118   3HB   ALA  20          3HB       ALA  20  -5.577  -7.733   1.804
  119    H    ARG  21           H        ARG  21  -7.311  -7.402   5.073
  120    HA   ARG  21           HA       ARG  21  -9.635  -5.777   5.251
  121    HE   ARG  21           HE       ARG  21 -13.152  -8.022   8.102
  122   1HH1  ARG  21          2HH1      ARG  21 -12.830  -5.075   6.226
  123   2HH1  ARG  21          1HH1      ARG  21 -14.163  -4.284   6.999
  124   1HH2  ARG  21          2HH2      ARG  21 -14.874  -6.953   9.157
  125   2HH2  ARG  21          1HH2      ARG  21 -15.303  -5.330   8.692
  126    H    LYS  22           H        LYS  22  -6.538  -5.863   6.903
  127    HA   LYS  22           HA       LYS  22  -7.019  -3.933   8.887
  128   1HZ   LYS  22          1HZ       LYS  22  -3.859  -6.032  11.841
  129   2HZ   LYS  22          3HZ       LYS  22  -2.630  -4.936  12.256
  130   3HZ   LYS  22          2HZ       LYS  22  -4.047  -4.379  11.508
  131    H    SER  23           H        SER  23  -5.881  -3.641   5.556
  132    HA   SER  23           HA       SER  23  -5.368  -0.866   5.598
  133    HG   SER  23           HG       SER  23  -3.538  -2.238   3.582
  134    H    ILE  24           H        ILE  24  -8.228  -2.792   4.875
  135    HA   ILE  24           HA       ILE  24  -9.924  -0.737   3.967
  136    HB   ILE  24           HB       ILE  24 -10.661  -3.242   5.491
  137   1HG2  ILE  24          1HG2      ILE  24 -12.289  -1.136   5.078
  138   2HG2  ILE  24          2HG2      ILE  24 -12.556  -2.038   3.585
  139   3HG2  ILE  24          3HG2      ILE  24 -12.845  -2.809   5.145
  140   1HD1  ILE  24          3HD1      ILE  24 -12.047  -4.655   3.914
  141   2HD1  ILE  24          1HD1      ILE  24 -11.622  -4.708   2.202
  142   3HD1  ILE  24          2HD1      ILE  24 -10.581  -5.489   3.394
  143    H    GLN  25           H        GLN  25  -9.150  -1.918   7.197
  144    HA   GLN  25           HA       GLN  25 -11.062  -0.521   8.673
  145   1HE2  GLN  25          1HE2      GLN  25 -10.565  -2.120  12.895
  146   2HE2  GLN  25          2HE2      GLN  25 -12.258  -1.807  12.707
  147    H    TYR  26           H        TYR  26  -7.768   0.422   7.748
  148    HA   TYR  26           HA       TYR  26  -7.922   3.019   8.885
  149    HD1  TYR  26          1HD       TYR  26  -6.325   0.299   9.247
  150    HD2  TYR  26          2HD       TYR  26  -4.353   4.042   8.805
  151    HE1  TYR  26          1HE       TYR  26  -5.010  -0.161  11.270
  152    HE2  TYR  26          2HE       TYR  26  -3.026   3.587  10.823
  153    HH   TYR  26           HH       TYR  26  -3.103   2.258  12.812
  154    H    ALA  27           H        ALA  27  -8.781   1.710   5.756
  155    HA   ALA  27           HA       ALA  27  -9.028   4.151   4.368
  156   1HB   ALA  27          3HB       ALA  27 -10.268   1.446   3.972
  157   2HB   ALA  27          2HB       ALA  27  -8.982   2.217   3.041
  158   3HB   ALA  27          1HB       ALA  27 -10.641   2.807   2.914
  159    H    LYS  28           H        LYS  28 -11.294   2.314   6.369
  160    HA   LYS  28           HA       LYS  28 -13.530   4.003   5.843
  161   1HZ   LYS  28          2HZ       LYS  28 -15.367   1.032   9.431
  162   2HZ   LYS  28          1HZ       LYS  28 -14.698  -0.210  10.374
  163   3HZ   LYS  28          3HZ       LYS  28 -13.719   1.061   9.830
  164    H    MET  29           H        MET  29 -11.307   3.719   8.597
  165    HA   MET  29           HA       MET  29 -12.531   5.848  10.036
  166   1HE   MET  29          3HE       MET  29  -7.826   5.531  12.538
  167   2HE   MET  29          1HE       MET  29  -9.369   5.113  13.278
  168   3HE   MET  29          2HE       MET  29  -7.886   4.346  13.841
  169    H    GLY  30           H        GLY  30  -9.890   5.679   7.780
  170   1HA   GLY  30          2HA       GLY  30  -9.618   8.581   7.799
  171   2HA   GLY  30          1HA       GLY  30  -8.822   7.461   6.697
  172    H    GLY  31           H        GLY  31  -6.688   7.556   6.948
  173   1HA   GLY  31          2HA       GLY  31  -5.491   6.939   9.470
  174   2HA   GLY  31          1HA       GLY  31  -5.269   8.631   9.050
  175    H    ALA  32           H        ALA  32  -5.330   5.791   6.949
  176    HA   ALA  32           HA       ALA  32  -2.524   5.658   6.538
  177   1HB   ALA  32          3HB       ALA  32  -4.859   4.269   5.610
  178   2HB   ALA  32          1HB       ALA  32  -3.789   4.630   4.257
  179   3HB   ALA  32          2HB       ALA  32  -3.180   3.731   5.646
  180    H    LYS  33           H        LYS  33  -1.247   6.840   5.235
  181    HA   LYS  33           HA       LYS  33  -2.475   9.060   3.857
  182   1HZ   LYS  33          3HZ       LYS  33  -3.567  12.177   5.659
  183   2HZ   LYS  33          2HZ       LYS  33  -2.647  13.555   5.296
  184   3HZ   LYS  33          1HZ       LYS  33  -3.400  12.687   4.051
  185    H    LEU  34           H        LEU  34  -0.680   6.141   3.029
  186    HA   LEU  34           HA       LEU  34  -1.585   6.518   0.264
  187    HG   LEU  34           HG       LEU  34   0.112   7.398  -1.430
  188   1HD1  LEU  34          2HD1      LEU  34   2.712   6.763  -0.698
  189   2HD1  LEU  34          3HD1      LEU  34   2.408   5.816  -2.156
  190   3HD1  LEU  34          1HD1      LEU  34   2.188   7.567  -2.178
  191   1HD2  LEU  34          2HD2      LEU  34  -0.503   4.693  -1.236
  192   2HD2  LEU  34          3HD2      LEU  34  -0.670   5.722  -2.659
  193   3HD2  LEU  34          1HD2      LEU  34   0.799   4.777  -2.423
  194    H    ILE  35           H        ILE  35  -2.771   4.762  -0.168
  195    HA   ILE  35           HA       ILE  35  -1.979   2.198   1.051
  196    HB   ILE  35           HB       ILE  35  -4.579   2.903  -0.327
  197   1HG2  ILE  35          2HG2      ILE  35  -3.512   0.439  -0.152
  198   2HG2  ILE  35          3HG2      ILE  35  -4.348   0.520   1.401
  199   3HG2  ILE  35          1HG2      ILE  35  -5.247   0.753  -0.098
  200   1HD1  ILE  35          2HD1      ILE  35  -6.507   2.779   1.136
  201   2HD1  ILE  35          3HD1      ILE  35  -6.138   1.890   2.614
  202   3HD1  ILE  35          1HD1      ILE  35  -6.340   3.642   2.664
  203    H    ILE  36           H        ILE  36  -1.097   0.660  -0.181
  204    HA   ILE  36           HA       ILE  36  -1.146   1.033  -3.108
  205    HB   ILE  36           HB       ILE  36   0.986  -0.357  -1.467
  206   1HG2  ILE  36          1HG2      ILE  36   0.366  -0.453  -4.228
  207   2HG2  ILE  36          2HG2      ILE  36   1.861   0.463  -4.048
  208   3HG2  ILE  36          3HG2      ILE  36   1.743  -1.169  -3.390
  209   1HD1  ILE  36          1HD1      ILE  36   3.238   0.962  -2.586
  210   2HD1  ILE  36          2HD1      ILE  36   3.224   2.652  -2.084
  211   3HD1  ILE  36          3HD1      ILE  36   3.109   1.375  -0.876
  212    H    VAL  37           H        VAL  37  -1.968  -0.587  -4.314
  213    HA   VAL  37           HA       VAL  37  -2.517  -3.147  -2.945
  214    HB   VAL  37           HB       VAL  37  -4.471  -3.412  -4.489
  215   1HG1  VAL  37          1HG1      VAL  37  -4.632  -2.583  -2.124
  216   2HG1  VAL  37          2HG1      VAL  37  -4.686  -0.943  -2.773
  217   3HG1  VAL  37          3HG1      VAL  37  -5.960  -2.094  -3.177
  218   1HG2  VAL  37          2HG2      VAL  37  -3.782  -1.834  -6.225
  219   2HG2  VAL  37          3HG2      VAL  37  -5.375  -1.423  -5.592
  220   3HG2  VAL  37          1HG2      VAL  37  -3.963  -0.496  -5.093
  221    H    ALA  38           H        ALA  38  -1.886  -4.995  -3.930
  222    HA   ALA  38           HA       ALA  38  -0.167  -4.752  -6.247
  223   1HB   ALA  38          1HB       ALA  38   0.867  -6.454  -5.270
  224   2HB   ALA  38          2HB       ALA  38  -0.404  -6.539  -4.051
  225   3HB   ALA  38          3HB       ALA  38  -0.548  -7.473  -5.541
  226    H    ARG  39           H        ARG  39  -0.547  -5.521  -8.294
  227    HA   ARG  39           HA       ARG  39  -3.177  -5.752  -9.217
  228    HE   ARG  39           HE       ARG  39  -0.929  -2.505 -12.041
  229   1HH1  ARG  39          2HH1      ARG  39   0.247  -4.587 -14.618
  230   2HH1  ARG  39          1HH1      ARG  39   0.670  -3.259 -15.659
  231   1HH2  ARG  39          2HH2      ARG  39  -0.319  -0.773 -13.383
  232   2HH2  ARG  39          1HH2      ARG  39   0.374  -1.092 -14.945
  233    H    ASN  40           H        ASN  40  -0.787  -8.265  -8.489
  234    HA   ASN  40           HA       ASN  40  -2.632 -10.393  -9.103
  235   1HD2  ASN  40          1HD2      ASN  40  -0.411 -12.883  -9.967
  236   2HD2  ASN  40          2HD2      ASN  40   0.220 -12.174 -11.417
  237    H    ALA  41           H        ALA  41  -3.772  -8.723  -7.240
  238    HA   ALA  41           HA       ALA  41  -3.870 -10.477  -4.878
  239   1HB   ALA  41          3HB       ALA  41  -3.944  -7.477  -4.997
  240   2HB   ALA  41          1HB       ALA  41  -4.658  -8.362  -3.646
  241   3HB   ALA  41          2HB       ALA  41  -2.937  -8.522  -3.996
  242    H    ARG  42           H        ARG  42  -6.005 -10.423  -3.798
  243    HA   ARG  42           HA       ARG  42  -8.044 -11.169  -5.478
  244    HE   ARG  42           HE       ARG  42  -6.919 -14.862  -3.852
  245   1HH1  ARG  42          2HH1      ARG  42  -9.025 -13.727  -1.274
  246   2HH1  ARG  42          1HH1      ARG  42  -8.481 -14.931  -0.140
  247   1HH2  ARG  42          2HH2      ARG  42  -6.218 -16.431  -2.355
  248   2HH2  ARG  42          1HH2      ARG  42  -6.900 -16.460  -0.751
  249    HA   PRO  43           HA       PRO  43  -9.230  -7.345  -7.419
  250    H    ASP  44           H        ASP  44 -11.558  -9.179  -5.455
  251    HA   ASP  44           HA       ASP  44 -13.373  -7.067  -5.009
  252    H    ILE  45           H        ILE  45 -10.528  -8.153  -3.246
  253    HA   ILE  45           HA       ILE  45 -10.671  -6.350  -1.091
  254    HB   ILE  45           HB       ILE  45  -8.378  -7.834  -2.355
  255   1HG2  ILE  45          3HG2      ILE  45  -7.733  -5.602  -1.230
  256   2HG2  ILE  45          1HG2      ILE  45  -8.103  -6.440   0.279
  257   3HG2  ILE  45          2HG2      ILE  45  -6.849  -7.066  -0.793
  258   1HD1  ILE  45          1HD1      ILE  45  -9.704  -7.116   0.939
  259   2HD1  ILE  45          2HD1      ILE  45 -11.126  -8.031   0.443
  260   3HD1  ILE  45          3HD1      ILE  45  -9.899  -8.789   1.457
  261    H    LYS  46           H        LYS  46  -8.823  -6.185  -4.137
  262    HA   LYS  46           HA       LYS  46  -7.598  -3.729  -3.697
  263   1HZ   LYS  46          2HZ       LYS  46  -5.656  -5.828  -9.448
  264   2HZ   LYS  46          1HZ       LYS  46  -6.167  -7.446  -9.497
  265   3HZ   LYS  46          3HZ       LYS  46  -7.200  -6.211 -10.030
  266    H    GLU  47           H        GLU  47 -10.598  -4.367  -5.502
  267    HA   GLU  47           HA       GLU  47 -11.142  -1.677  -6.059
  268    H    ASP  48           H        ASP  48 -12.160  -3.736  -3.372
  269    HA   ASP  48           HA       ASP  48 -14.067  -1.964  -2.290
  270    H    ILE  49           H        ILE  49 -10.614  -2.415  -1.630
  271    HA   ILE  49           HA       ILE  49 -10.415  -0.397   0.343
  272    HB   ILE  49           HB       ILE  49  -8.284  -1.506  -1.490
  273   1HG2  ILE  49          3HG2      ILE  49  -8.075   0.280   0.928
  274   2HG2  ILE  49          1HG2      ILE  49  -6.712  -0.603   0.241
  275   3HG2  ILE  49          2HG2      ILE  49  -7.539   0.626  -0.716
  276   1HD1  ILE  49          3HD1      ILE  49  -6.544  -2.341   0.797
  277   2HD1  ILE  49          1HD1      ILE  49  -7.330  -3.808   1.381
  278   3HD1  ILE  49          2HD1      ILE  49  -7.022  -3.598  -0.344
  279    H    GLU  50           H        GLU  50  -9.761  -0.347  -3.173
  280    HA   GLU  50           HA       GLU  50  -8.911   2.304  -3.355
  281    H    TYR  51           H        TYR  51 -12.172   0.964  -3.530
  282    HA   TYR  51           HA       TYR  51 -13.520   3.365  -4.115
  283    HD1  TYR  51          1HD       TYR  51 -16.681   0.865  -1.907
  284    HD2  TYR  51          2HD       TYR  51 -15.592   3.759  -4.828
  285    HE1  TYR  51          1HE       TYR  51 -18.934   1.839  -1.774
  286    HE2  TYR  51          2HE       TYR  51 -17.842   4.741  -4.704
  287    HH   TYR  51           HH       TYR  51 -19.791   4.755  -3.610
  288    H    TYR  52           H        TYR  52 -13.031   1.672  -1.022
  289    HA   TYR  52           HA       TYR  52 -14.325   3.568   0.587
  290    HD1  TYR  52          1HD       TYR  52 -13.754   0.960   3.868
  291    HD2  TYR  52          2HD       TYR  52 -15.174   1.442  -0.108
  292    HE1  TYR  52          1HE       TYR  52 -15.768  -0.331   4.438
  293    HE2  TYR  52          2HE       TYR  52 -17.190   0.156   0.448
  294    HH   TYR  52           HH       TYR  52 -18.335  -0.328   3.293
  295    H    ALA  53           H        ALA  53 -10.917   3.234  -0.288
  296    HA   ALA  53           HA       ALA  53  -9.943   5.322   1.312
  297   1HB   ALA  53          2HB       ALA  53  -8.170   4.150   0.576
  298   2HB   ALA  53          1HB       ALA  53  -8.197   5.318  -0.744
  299   3HB   ALA  53          3HB       ALA  53  -8.944   3.736  -0.954
  300    H    ARG  54           H        ARG  54 -11.109   5.299  -2.046
  301    HA   ARG  54           HA       ARG  54 -10.510   7.981  -2.618
  302    HE   ARG  54           HE       ARG  54 -12.050   9.024  -7.701
  303   1HH1  ARG  54          2HH1      ARG  54 -14.881   8.093  -5.864
  304   2HH1  ARG  54          1HH1      ARG  54 -15.849   9.422  -6.433
  305   1HH2  ARG  54          2HH2      ARG  54 -13.312  10.756  -8.460
  306   2HH2  ARG  54          1HH2      ARG  54 -14.961  10.930  -7.933
  307    H    LEU  55           H        LEU  55 -13.367   6.492  -1.161
  308    HA   LEU  55           HA       LEU  55 -15.015   8.773  -1.082
  309    HG   LEU  55           HG       LEU  55 -15.299   5.607  -1.336
  310   1HD1  LEU  55          2HD1      LEU  55 -16.427   4.658   0.657
  311   2HD1  LEU  55          3HD1      LEU  55 -17.830   5.663   0.299
  312   3HD1  LEU  55          1HD1      LEU  55 -17.325   4.414  -0.840
  313   1HD2  LEU  55          2HD2      LEU  55 -17.573   7.582  -1.385
  314   2HD2  LEU  55          3HD2      LEU  55 -16.179   7.528  -2.464
  315   3HD2  LEU  55          1HD2      LEU  55 -17.386   6.244  -2.518
  316    H    SER  56           H        SER  56 -12.670   7.501   1.237
  317    HA   SER  56           HA       SER  56 -13.039   9.562   3.172
  318    HG   SER  56           HG       SER  56 -10.241   9.465   4.192
  319    H    GLY  57           H        GLY  57 -10.860   9.061   0.467
  320   1HA   GLY  57          2HA       GLY  57  -9.900  11.833   0.782
  321   2HA   GLY  57          1HA       GLY  57  -9.975  10.967  -0.749
  322    H    ILE  58           H        ILE  58  -8.975   8.497   0.366
  323    HA   ILE  58           HA       ILE  58  -6.206   9.200   1.051
  324    HB   ILE  58           HB       ILE  58  -7.630   6.538   1.230
  325   1HG2  ILE  58          1HG2      ILE  58  -5.184   6.405   0.741
  326   2HG2  ILE  58          2HG2      ILE  58  -4.891   7.251   2.260
  327   3HG2  ILE  58          3HG2      ILE  58  -5.661   5.664   2.268
  328   1HD1  ILE  58          1HD1      ILE  58  -7.640   5.647   3.467
  329   2HD1  ILE  58          2HD1      ILE  58  -6.772   6.579   4.685
  330   3HD1  ILE  58          3HD1      ILE  58  -8.522   6.732   4.543
  331    HA   PRO  59           HA       PRO  59  -5.185   8.270  -3.201
  332    H    VAL  60           H        VAL  60  -4.934   6.395  -4.247
  333    HA   VAL  60           HA       VAL  60  -3.715   4.137  -2.779
  334    HB   VAL  60           HB       VAL  60  -5.925   3.985  -4.840
  335   1HG1  VAL  60          2HG1      VAL  60  -4.559   1.850  -3.208
  336   2HG1  VAL  60          3HG1      VAL  60  -6.044   1.601  -4.129
  337   3HG1  VAL  60          1HG1      VAL  60  -4.549   2.025  -4.963
  338   1HG2  VAL  60          1HG2      VAL  60  -5.973   4.343  -1.962
  339   2HG2  VAL  60          2HG2      VAL  60  -7.278   4.480  -3.142
  340   3HG2  VAL  60          3HG2      VAL  60  -6.853   2.902  -2.477
  341    H    TYR  61           H        TYR  61  -1.870   3.491  -3.648
  342    HA   TYR  61           HA       TYR  61  -1.256   4.140  -6.428
  343    HD1  TYR  61          1HD       TYR  61   0.501   4.321  -7.714
  344    HD2  TYR  61          2HD       TYR  61   2.509   1.966  -4.799
  345    HE1  TYR  61          1HE       TYR  61   2.211   3.729  -9.377
  346    HE2  TYR  61          2HE       TYR  61   4.223   1.368  -6.456
  347    HH   TYR  61           HH       TYR  61   4.771   1.407  -8.641
  348    H    GLU  62           H        GLU  62  -1.493   2.753  -7.994
  349    HA   GLU  62           HA       GLU  62  -2.296   0.028  -7.440
  350    H    PHE  63           H        PHE  63  -0.708  -1.398  -6.988
  351    HA   PHE  63           HA       PHE  63   2.007  -0.927  -7.701
  352    HD1  PHE  63          1HD       PHE  63   3.872  -1.639  -7.275
  353    HD2  PHE  63          2HD       PHE  63   2.033  -5.234  -5.930
  354    HE1  PHE  63          1HE       PHE  63   6.053  -2.776  -7.336
  355    HE2  PHE  63          2HE       PHE  63   4.211  -6.375  -5.991
  356    HZ   PHE  63           HZ       PHE  63   6.224  -5.142  -6.655
  357    H    GLU  64           H        GLU  64   2.637  -1.049  -9.708
  358    HA   GLU  64           HA       GLU  64   1.523  -2.857 -11.633
  359    H    GLY  65           H        GLY  65   2.141  -4.594  -9.891
  360   1HA   GLY  65          2HA       GLY  65   4.606  -5.628  -9.419
  361   2HA   GLY  65          1HA       GLY  65   4.282  -6.115 -11.077
  362    H    THR  66           H        THR  66   4.551  -7.681  -8.548
  363    HA   THR  66           HA       THR  66   1.898  -8.960  -8.570
  364    HB   THR  66           HB       THR  66   3.367 -10.302  -9.955
  365    HG1  THR  66          1HG       THR  66   2.832 -12.176  -9.015
  366   1HG2  THR  66          1HG2      THR  66   5.341  -9.608  -8.022
  367   2HG2  THR  66          3HG2      THR  66   5.204 -11.366  -8.076
  368   3HG2  THR  66          2HG2      THR  66   5.548 -10.461  -9.550
  369    H    SER  67           H        SER  67   1.301 -10.113  -6.719
  370    HA   SER  67           HA       SER  67   1.986  -8.897  -4.271
  371    HG   SER  67           HG       SER  67  -0.715 -11.504  -5.437
  372    H    VAL  68           H        VAL  68   3.305 -11.593  -5.980
  373    HA   VAL  68           HA       VAL  68   4.450 -12.979  -3.783
  374    HB   VAL  68           HB       VAL  68   5.487 -12.912  -6.623
  375   1HG1  VAL  68          2HG1      VAL  68   5.786 -14.898  -4.378
  376   2HG1  VAL  68          3HG1      VAL  68   6.229 -15.230  -6.052
  377   3HG1  VAL  68          1HG1      VAL  68   7.056 -13.955  -5.159
  378   1HG2  VAL  68          3HG2      VAL  68   3.084 -14.158  -5.452
  379   2HG2  VAL  68          1HG2      VAL  68   3.410 -13.651  -7.110
  380   3HG2  VAL  68          2HG2      VAL  68   4.054 -15.182  -6.512
  381    H    GLU  69           H        GLU  69   5.794 -10.619  -6.075
  382    HA   GLU  69           HA       GLU  69   8.320 -10.357  -4.810
  383    H    LEU  70           H        LEU  70   5.280  -8.554  -4.592
  384    HA   LEU  70           HA       LEU  70   6.152  -6.566  -2.810
  385    HG   LEU  70           HG       LEU  70   3.778  -6.016  -1.169
  386   1HD1  LEU  70          1HD1      LEU  70   4.897  -4.647  -3.475
  387   2HD1  LEU  70          2HD1      LEU  70   3.715  -3.675  -2.599
  388   3HD1  LEU  70          3HD1      LEU  70   5.116  -4.335  -1.754
  389   1HD2  LEU  70          2HD2      LEU  70   1.626  -6.457  -2.667
  390   2HD2  LEU  70          3HD2      LEU  70   1.687  -5.179  -1.453
  391   3HD2  LEU  70          1HD2      LEU  70   1.953  -4.794  -3.154
  392    H    GLY  71           H        GLY  71   4.829  -9.790  -2.264
  393   1HA   GLY  71          2HA       GLY  71   4.761 -11.134  -0.416
  394   2HA   GLY  71          1HA       GLY  71   4.590  -9.665   0.530
  395    H    THR  72           H        THR  72   7.263 -10.942  -1.468
  396    HA   THR  72           HA       THR  72   8.871 -11.589   0.780
  397    HB   THR  72           HB       THR  72   9.168 -12.567  -1.503
  398    HG1  THR  72          1HG       THR  72  11.615 -12.267  -1.350
  399   1HG2  THR  72          2HG2      THR  72   9.952  -9.785  -2.099
  400   2HG2  THR  72          1HG2      THR  72  10.952 -11.054  -2.809
  401   3HG2  THR  72          3HG2      THR  72   9.219 -11.008  -3.141
  402    H    LEU  73           H        LEU  73   8.465  -8.731  -1.163
  403    HA   LEU  73           HA       LEU  73  10.703  -7.247  -0.351
  404    HG   LEU  73           HG       LEU  73  10.734  -5.059  -1.579
  405   1HD1  LEU  73          3HD1      LEU  73   8.364  -4.909  -3.146
  406   2HD1  LEU  73          1HD1      LEU  73   8.696  -3.315  -2.467
  407   3HD1  LEU  73          2HD1      LEU  73   9.928  -4.139  -3.426
  408   1HD2  LEU  73          2HD2      LEU  73   9.525  -4.573   0.649
  409   2HD2  LEU  73          3HD2      LEU  73  10.171  -3.217  -0.274
  410   3HD2  LEU  73          1HD2      LEU  73   8.448  -3.578  -0.332
  411    H    LEU  74           H        LEU  74   7.396  -7.341   0.971
  412    HA   LEU  74           HA       LEU  74   8.047  -5.554   3.109
  413    HG   LEU  74           HG       LEU  74   5.991  -4.249   3.223
  414   1HD1  LEU  74          1HD1      LEU  74   5.583  -5.467   0.504
  415   2HD1  LEU  74          2HD1      LEU  74   5.337  -3.757   0.856
  416   3HD1  LEU  74          3HD1      LEU  74   6.933  -4.477   1.056
  417   1HD2  LEU  74          2HD2      LEU  74   3.775  -5.549   3.665
  418   2HD2  LEU  74          3HD2      LEU  74   3.727  -3.924   2.983
  419   3HD2  LEU  74          1HD2      LEU  74   3.528  -5.327   1.933
  420    H    GLY  75           H        GLY  75   7.704  -9.043   2.794
  421   1HA   GLY  75          2HA       GLY  75   8.788  -9.301   5.535
  422   2HA   GLY  75          1HA       GLY  75   9.157 -10.420   4.229
  423    H    ARG  76           H        ARG  76   6.808 -10.978   3.117
  424    HA   ARG  76           HA       ARG  76   5.291 -12.238   5.305
  425    HE   ARG  76           HE       ARG  76   0.966 -11.121   6.435
  426   1HH1  ARG  76          2HH1      ARG  76   3.747 -11.031   8.564
  427   2HH1  ARG  76          1HH1      ARG  76   2.809 -10.676   9.986
  428   1HH2  ARG  76          2HH2      ARG  76  -0.275 -10.667   8.305
  429   2HH2  ARG  76          1HH2      ARG  76   0.518 -10.504   9.844
  430    HA   PRO  77           HA       PRO  77   6.378 -15.695   2.643
  431    H    HIS  78           H        HIS  78   3.065 -15.515   3.939
  432    HA   HIS  78           HA       HIS  78   1.989 -16.629   1.501
  433    HD1  HIS  78          1HD       HIS  78  -1.580 -15.982   4.786
  434    HD2  HIS  78          2HD       HIS  78   2.336 -14.600   4.968
  435    HE1  HIS  78          1HE       HIS  78  -1.436 -14.629   6.896
  436    HE2  HIS  78          2HE       HIS  78   0.995 -14.002   7.096
  437    H    THR  79           H        THR  79   3.281 -14.425   0.839
  438    HA   THR  79           HA       THR  79   3.202 -12.510  -0.346
  439    HB   THR  79           HB       THR  79   1.351 -12.252  -1.909
  440    HG1  THR  79          1HG       THR  79   0.051 -13.885  -0.053
  441   1HG2  THR  79          1HG2      THR  79   3.102 -14.343  -1.784
  442   2HG2  THR  79          3HG2      THR  79   1.554 -15.173  -1.951
  443   3HG2  THR  79          2HG2      THR  79   2.051 -13.983  -3.154
  444    H    VAL  80           H        VAL  80   1.982 -10.459  -0.889
  445    HA   VAL  80           HA       VAL  80   0.386  -9.519   1.395
  446    HB   VAL  80           HB       VAL  80   2.511  -7.923  -0.065
  447   1HG1  VAL  80          1HG1      VAL  80   0.288  -6.798   0.750
  448   2HG1  VAL  80          2HG1      VAL  80   1.055  -6.910   2.333
  449   3HG1  VAL  80          3HG1      VAL  80   1.843  -6.019   1.030
  450   1HG2  VAL  80          1HG2      VAL  80   2.373  -9.058   2.715
  451   2HG2  VAL  80          2HG2      VAL  80   3.611  -9.314   1.485
  452   3HG2  VAL  80          3HG2      VAL  80   3.466  -7.745   2.276
  453    H    SER  81           H        SER  81  -1.546  -8.807   0.767
  454    HA   SER  81           HA       SER  81  -2.106  -8.543  -2.055
  455    HG   SER  81           HG       SER  81  -3.735  -7.682   1.102
  456    H    ALA  82           H        ALA  82  -1.990  -6.448   0.779
  457    HA   ALA  82           HA       ALA  82  -1.643  -4.116  -0.878
  458   1HB   ALA  82          3HB       ALA  82  -4.241  -4.792  -0.282
  459   2HB   ALA  82          1HB       ALA  82  -3.836  -3.630   0.981
  460   3HB   ALA  82          2HB       ALA  82  -3.669  -3.182  -0.715
  461    H    LEU  83           H        LEU  83  -1.069  -2.241   0.368
  462    HA   LEU  83           HA       LEU  83  -0.576  -2.658   3.208
  463    HG   LEU  83           HG       LEU  83   1.533  -0.705   0.864
  464   1HD1  LEU  83          1HD1      LEU  83   3.787  -2.220   2.019
  465   2HD1  LEU  83          2HD1      LEU  83   4.020  -1.595   0.386
  466   3HD1  LEU  83          3HD1      LEU  83   3.618  -0.492   1.702
  467   1HD2  LEU  83          2HD2      LEU  83   1.504  -3.491  -0.021
  468   2HD2  LEU  83          3HD2      LEU  83   1.041  -2.023  -0.881
  469   3HD2  LEU  83          1HD2      LEU  83   2.735  -2.506  -0.811
  470    H    ALA  84           H        ALA  84  -0.710  -0.820   4.384
  471    HA   ALA  84           HA       ALA  84  -1.308   1.636   2.874
  472   1HB   ALA  84          3HB       ALA  84  -2.902   0.286   4.664
  473   2HB   ALA  84          1HB       ALA  84  -2.212   1.578   5.644
  474   3HB   ALA  84          2HB       ALA  84  -3.100   1.968   4.172
  475    H    VAL  85           H        VAL  85   0.323   3.010   2.923
  476    HA   VAL  85           HA       VAL  85   2.277   3.028   5.044
  477    HB   VAL  85           HB       VAL  85   1.950   5.033   2.803
  478   1HG1  VAL  85          2HG1      VAL  85   4.246   4.348   4.627
  479   2HG1  VAL  85          3HG1      VAL  85   4.403   5.348   3.183
  480   3HG1  VAL  85          1HG1      VAL  85   3.378   5.879   4.514
  481   1HG2  VAL  85          3HG2      VAL  85   2.354   2.396   2.376
  482   2HG2  VAL  85          1HG2      VAL  85   2.991   3.670   1.338
  483   3HG2  VAL  85          2HG2      VAL  85   4.017   2.947   2.576
  484    H    VAL  86           H        VAL  86   1.964   4.010   6.902
  485    HA   VAL  86           HA       VAL  86  -0.132   6.016   7.170
  486    HB   VAL  86           HB       VAL  86   1.558   4.693   9.303
  487   1HG1  VAL  86          3HG1      VAL  86   0.238   6.981   9.626
  488   2HG1  VAL  86          1HG1      VAL  86  -1.101   5.862   9.884
  489   3HG1  VAL  86          2HG1      VAL  86   0.340   5.761  10.896
  490   1HG2  VAL  86          3HG2      VAL  86  -1.191   4.014   8.268
  491   2HG2  VAL  86          1HG2      VAL  86   0.261   3.017   8.177
  492   3HG2  VAL  86          2HG2      VAL  86  -0.486   3.346   9.741
  493    H    ASP  87           H        ASP  87   3.342   5.647   7.707
  494    HA   ASP  87           HA       ASP  87   3.552   8.573   8.019
  495    HA   PRO  88           HA       PRO  88   6.109   7.593   4.377
  496    H    GLY  89           H        GLY  89   6.827   9.453   6.470
  497   1HA   GLY  89          2HA       GLY  89   8.010  11.391   6.851
  498   2HA   GLY  89          1HA       GLY  89   7.262  12.051   5.406
  499    H    GLU  90           H        GLU  90   9.682   9.587   6.263
  500    HA   GLU  90           HA       GLU  90  11.737  10.910   4.834
  501    H    SER  91           H        SER  91   9.764   8.069   4.112
  502    HA   SER  91           HA       SER  91  11.121   7.401   1.711
  503    HG   SER  91           HG       SER  91   9.933   5.814   0.473
  504    H    ARG  92           H        ARG  92  10.726   7.952  -0.385
  505    HA   ARG  92           HA       ARG  92   8.819  10.151  -0.788
  506    HE   ARG  92           HE       ARG  92   9.681  12.626  -2.123
  507   1HH1  ARG  92          2HH1      ARG  92   9.298  12.935   1.347
  508   2HH1  ARG  92          1HH1      ARG  92   7.890  13.952   1.228
  509   1HH2  ARG  92          2HH2      ARG  92   7.834  13.965  -2.276
  510   2HH2  ARG  92          1HH2      ARG  92   7.084  14.557  -0.823
  511    H    ILE  93           H        ILE  93   7.996   7.436  -0.478
  512    HA   ILE  93           HA       ILE  93   7.342   6.227  -2.952
  513    HB   ILE  93           HB       ILE  93   7.287   5.020  -0.793
  514   1HG2  ILE  93          1HG2      ILE  93   5.749   7.176   0.068
  515   2HG2  ILE  93          2HG2      ILE  93   4.648   5.799   0.055
  516   3HG2  ILE  93          3HG2      ILE  93   6.149   5.719   0.978
  517   1HD1  ILE  93          1HD1      ILE  93   7.058   3.243  -2.568
  518   2HD1  ILE  93          2HD1      ILE  93   5.533   3.083  -3.440
  519   3HD1  ILE  93          3HD1      ILE  93   6.570   4.481  -3.725
  520    H    LEU  94           H        LEU  94   6.097   8.917  -1.236
  521    HA   LEU  94           HA       LEU  94   3.449   9.042  -2.116
  522    HG   LEU  94           HG       LEU  94   5.055   9.810   0.408
  523   1HD1  LEU  94          1HD1      LEU  94   5.167  12.435   0.410
  524   2HD1  LEU  94          2HD1      LEU  94   3.518  12.284   1.021
  525   3HD1  LEU  94          3HD1      LEU  94   4.855  11.536   1.896
  526   1HD2  LEU  94          1HD2      LEU  94   2.770   9.051  -0.264
  527   2HD2  LEU  94          2HD2      LEU  94   2.917   9.532   1.425
  528   3HD2  LEU  94          3HD2      LEU  94   2.159  10.619   0.263
  529    H    ALA  95           H        ALA  95   6.418   9.626  -3.790
  530    HA   ALA  95           HA       ALA  95   5.454  11.248  -5.897
  531   1HB   ALA  95          1HB       ALA  95   7.634  11.277  -6.312
  532   2HB   ALA  95          3HB       ALA  95   7.512   9.624  -6.914
  533   3HB   ALA  95          2HB       ALA  95   7.899   9.918  -5.219
  534    H    LEU  96           H        LEU  96   5.681   7.742  -5.465
  535    HA   LEU  96           HA       LEU  96   4.612   7.159  -8.072
  536    HG   LEU  96           HG       LEU  96   6.729   5.858  -8.001
  537   1HD1  LEU  96          1HD1      LEU  96   6.852   6.402  -5.260
  538   2HD1  LEU  96          2HD1      LEU  96   7.972   5.070  -5.541
  539   3HD1  LEU  96          3HD1      LEU  96   8.143   6.571  -6.451
  540   1HD2  LEU  96          1HD2      LEU  96   5.944   3.279  -6.948
  541   2HD2  LEU  96          2HD2      LEU  96   6.924   3.672  -8.361
  542   3HD2  LEU  96          3HD2      LEU  96   7.675   3.568  -6.768
  543    H    GLY  97           H        GLY  97   3.387   7.628  -4.848
  544   1HA   GLY  97          2HA       GLY  97   1.243   7.715  -4.009
  545   2HA   GLY  97          1HA       GLY  97   0.778   6.573  -5.263
  546    H    GLY  98           H        GLY  98   2.248   9.698  -5.829
  547   1HA   GLY  98          2HA       GLY  98   0.104  10.457  -7.601
  548   2HA   GLY  98          1HA       GLY  98   1.556  11.382  -7.254
  549    H    LYS  99           H        LYS  99  -1.300  10.218  -5.494
  550    HA   LYS  99           HA       LYS  99  -2.647  11.140  -3.930
  551   1HZ   LYS  99          2HZ       LYS  99   0.163  14.561  -0.963
  552   2HZ   LYS  99          1HZ       LYS  99   1.581  15.177  -1.663
  553   3HZ   LYS  99          3HZ       LYS  99   0.338  14.582  -2.650
  554    H    GLU 100           H        GLU 100  -1.154  13.747  -5.848
  555    HA   GLU 100           HA       GLU 100  -2.017  15.500  -6.987

  No H/Q in entry =         555
  Start of MODEL    4
    1    H1   GLY  -2          2H        GLY  -2   5.153   0.312 -14.864
    2    H2   GLY  -2          1H        GLY  -2   4.689   1.105 -16.292
    3    H3   GLY  -2          3H        GLY  -2   6.184   0.309 -16.214
    4   1HA   GLY  -2          1HA       GLY  -2   5.560   2.971 -15.533
    5   2HA   GLY  -2          2HA       GLY  -2   7.134   2.193 -15.614
    6    H    SER  -1           H        SER  -1   6.854   0.268 -13.645
    7    HA   SER  -1           HA       SER  -1   5.913   1.480 -11.217
    8    HG   SER  -1           HG       SER  -1   6.584  -1.563  -9.570
    9    H    VAL   1           H        VAL   1   7.023   2.617  -9.776
   10    HA   VAL   1           HA       VAL   1   9.585   3.668 -10.343
   11    HB   VAL   1           HB       VAL   1   8.118   3.643  -7.693
   12   1HG1  VAL   1          3HG1      VAL   1  10.628   4.252  -7.788
   13   2HG1  VAL   1          1HG1      VAL   1  10.076   5.730  -8.579
   14   3HG1  VAL   1          2HG1      VAL   1   9.521   5.340  -6.950
   15   1HG2  VAL   1          2HG2      VAL   1   7.532   4.965 -10.159
   16   2HG2  VAL   1          3HG2      VAL   1   6.650   5.009  -8.633
   17   3HG2  VAL   1          1HG2      VAL   1   7.954   6.158  -8.931
   18    H    ASP   2           H        ASP   2   8.510   0.848  -8.682
   19    HA   ASP   2           HA       ASP   2   9.559  -0.886  -7.671
   20    H    PHE   3           H        PHE   3   8.751   0.737  -6.000
   21    HA   PHE   3           HA       PHE   3  10.594   2.326  -4.574
   22    HD1  PHE   3          1HD       PHE   3   8.490  -0.462  -3.326
   23    HD2  PHE   3          2HD       PHE   3   5.972   2.716  -4.617
   24    HE1  PHE   3          1HE       PHE   3   6.574  -2.000  -3.393
   25    HE2  PHE   3          2HE       PHE   3   4.067   1.194  -4.693
   26    HZ   PHE   3           HZ       PHE   3   4.319  -1.130  -4.003
   27    H    ALA   4           H        ALA   4  11.692  -0.231  -4.601
   28    HA   ALA   4           HA       ALA   4  11.169  -1.750  -2.292
   29   1HB   ALA   4          1HB       ALA   4  13.849  -1.576  -3.647
   30   2HB   ALA   4          2HB       ALA   4  13.133  -2.948  -2.802
   31   3HB   ALA   4          3HB       ALA   4  12.481  -2.435  -4.358
   32    H    PHE   5           H        PHE   5  13.609   0.704  -2.996
   33    HA   PHE   5           HA       PHE   5  14.803   0.778  -0.432
   34    HD1  PHE   5          1HD       PHE   5  16.406   1.534   0.415
   35    HD2  PHE   5          2HD       PHE   5  16.209   4.747  -2.363
   36    HE1  PHE   5          1HE       PHE   5  18.049   2.789   1.750
   37    HE2  PHE   5          2HE       PHE   5  17.853   6.004  -1.037
   38    HZ   PHE   5           HZ       PHE   5  18.781   5.025   1.019
   39    H    GLU   6           H        GLU   6  12.169   2.558  -1.941
   40    HA   GLU   6           HA       GLU   6  11.737   4.449   0.067
   41    H    LEU   7           H        LEU   7  10.097   1.286  -0.432
   42    HA   LEU   7           HA       LEU   7   8.510   1.533   1.878
   43    HG   LEU   7           HG       LEU   7   7.458   0.399  -0.743
   44   1HD1  LEU   7          2HD1      LEU   7   6.492  -2.000   0.805
   45   2HD1  LEU   7          3HD1      LEU   7   5.595  -1.227  -0.502
   46   3HD1  LEU   7          1HD1      LEU   7   7.154  -1.979  -0.830
   47   1HD2  LEU   7          1HD2      LEU   7   6.566   0.584   2.092
   48   2HD2  LEU   7          2HD2      LEU   7   6.601   1.821   0.837
   49   3HD2  LEU   7          3HD2      LEU   7   5.348   0.580   0.816
   50    H    ARG   8           H        ARG   8  11.715   0.028   1.421
   51    HA   ARG   8           HA       ARG   8  11.770  -1.111   3.997
   52    HE   ARG   8           HE       ARG   8  14.964  -2.504   0.927
   53   1HH1  ARG   8          2HH1      ARG   8  17.281  -0.061  -0.024
   54   2HH1  ARG   8          1HH1      ARG   8  17.273  -0.520  -1.701
   55   1HH2  ARG   8          2HH2      ARG   8  14.959  -3.125  -1.280
   56   2HH2  ARG   8          1HH2      ARG   8  15.971  -2.260  -2.411
   57    H    LYS   9           H        LYS   9  12.752   2.076   2.839
   58    HA   LYS   9           HA       LYS   9  13.912   2.903   5.318
   59   1HZ   LYS   9          1HZ       LYS   9  14.576   7.016   3.812
   60   2HZ   LYS   9          3HZ       LYS   9  15.741   6.344   4.843
   61   3HZ   LYS   9          2HZ       LYS   9  16.042   7.824   4.067
   62    H    ALA  10           H        ALA  10  10.735   3.359   3.812
   63    HA   ALA  10           HA       ALA  10   9.561   4.937   5.805
   64   1HB   ALA  10          3HB       ALA  10   8.630   3.328   3.537
   65   2HB   ALA  10          1HB       ALA  10   7.453   3.522   4.837
   66   3HB   ALA  10          2HB       ALA  10   8.150   4.943   4.061
   67    H    GLN  11           H        GLN  11   9.790   1.430   5.468
   68    HA   GLN  11           HA       GLN  11   8.136   0.789   7.667
   69   1HE2  GLN  11          1HE2      GLN  11   9.499  -1.977  10.184
   70   2HE2  GLN  11          2HE2      GLN  11  11.124  -2.573  10.247
   71    H    ASP  12           H        ASP  12  11.591   1.365   7.336
   72    HA   ASP  12           HA       ASP  12  12.340   0.521   9.920
   73    H    THR  13           H        THR  13  11.746   3.804   8.636
   74    HA   THR  13           HA       THR  13  11.542   4.706  11.438
   75    HB   THR  13           HB       THR  13  13.601   5.509  10.428
   76    HG1  THR  13          1HG       THR  13  12.464   6.936  11.863
   77   1HG2  THR  13          2HG2      THR  13  12.665   5.452   8.068
   78   2HG2  THR  13          1HG2      THR  13  11.981   7.040   8.417
   79   3HG2  THR  13          3HG2      THR  13  13.728   6.802   8.470
   80    H    GLY  14           H        GLY  14   9.322   3.801  10.081
   81   1HA   GLY  14          2HA       GLY  14   7.640   5.377   8.702
   82   2HA   GLY  14          1HA       GLY  14   7.638   6.150  10.284
   83    H    LYS  15           H        LYS  15   5.710   4.352   8.571
   84    HA   LYS  15           HA       LYS  15   5.321   2.023  10.148
   85   1HZ   LYS  15          1HZ       LYS  15   0.199   3.882  14.034
   86   2HZ   LYS  15          3HZ       LYS  15   1.076   5.329  13.891
   87   3HZ   LYS  15          2HZ       LYS  15  -0.386   5.138  13.054
   88    H    ILE  16           H        ILE  16   4.445   0.594   8.856
   89    HA   ILE  16           HA       ILE  16   2.412   1.458   6.909
   90    HB   ILE  16           HB       ILE  16   4.724  -0.414   6.374
   91   1HG2  ILE  16          1HG2      ILE  16   2.193  -0.942   5.546
   92   2HG2  ILE  16          2HG2      ILE  16   2.820   0.007   4.199
   93   3HG2  ILE  16          3HG2      ILE  16   3.657  -1.456   4.710
   94   1HD1  ILE  16          3HD1      ILE  16   5.946   1.477   6.869
   95   2HD1  ILE  16          1HD1      ILE  16   6.655   1.664   5.265
   96   3HD1  ILE  16          2HD1      ILE  16   5.761   2.998   5.997
   97    H    VAL  17           H        VAL  17   0.580   0.370   7.173
   98    HA   VAL  17           HA       VAL  17   0.593  -2.002   8.881
   99    HB   VAL  17           HB       VAL  17  -1.759  -0.423   7.825
  100   1HG1  VAL  17          2HG1      VAL  17  -1.930  -2.928   8.636
  101   2HG1  VAL  17          3HG1      VAL  17  -1.897  -2.169  10.227
  102   3HG1  VAL  17          1HG1      VAL  17  -3.154  -1.735   9.070
  103   1HG2  VAL  17          2HG2      VAL  17   0.111   0.310   9.766
  104   2HG2  VAL  17          3HG2      VAL  17  -1.458   1.052   9.455
  105   3HG2  VAL  17          1HG2      VAL  17  -1.311  -0.229  10.658
  106    H    MET  18           H        MET  18   0.986  -3.818   7.795
  107    HA   MET  18           HA       MET  18   0.005  -4.159   5.082
  108   1HE   MET  18          3HE       MET  18   3.122  -7.189   9.269
  109   2HE   MET  18          1HE       MET  18   1.652  -7.302  10.237
  110   3HE   MET  18          2HE       MET  18   2.341  -8.754   9.506
  111    H    GLY  19           H        GLY  19  -1.629  -5.469   4.449
  112   1HA   GLY  19          2HA       GLY  19  -3.387  -6.382   6.593
  113   2HA   GLY  19          1HA       GLY  19  -2.867  -7.592   5.430
  114    H    ALA  20           H        ALA  20  -4.637  -8.019   4.251
  115    HA   ALA  20           HA       ALA  20  -5.555  -6.107   2.369
  116   1HB   ALA  20          1HB       ALA  20  -6.262  -7.931   1.332
  117   2HB   ALA  20          3HB       ALA  20  -7.402  -8.275   2.633
  118   3HB   ALA  20          2HB       ALA  20  -5.750  -8.886   2.724
  119    H    ARG  21           H        ARG  21  -7.132  -7.575   5.213
  120    HA   ARG  21           HA       ARG  21  -9.475  -5.954   4.976
  121    HE   ARG  21           HE       ARG  21  -9.708  -9.508   8.950
  122   1HH1  ARG  21          2HH1      ARG  21  -9.310 -11.179   5.891
  123   2HH1  ARG  21          1HH1      ARG  21  -8.042 -12.213   6.483
  124   1HH2  ARG  21          2HH2      ARG  21  -8.042 -10.861   9.722
  125   2HH2  ARG  21          1HH2      ARG  21  -7.317 -12.026   8.656
  126    H    LYS  22           H        LYS  22  -6.443  -5.686   6.698
  127    HA   LYS  22           HA       LYS  22  -7.157  -3.598   8.430
  128   1HZ   LYS  22          2HZ       LYS  22  -2.317  -5.439  12.039
  129   2HZ   LYS  22          1HZ       LYS  22  -2.724  -6.972  12.640
  130   3HZ   LYS  22          3HZ       LYS  22  -1.768  -6.835  11.248
  131    H    SER  23           H        SER  23  -5.948  -3.553   5.111
  132    HA   SER  23           HA       SER  23  -5.615  -0.714   5.061
  133    HG   SER  23           HG       SER  23  -5.079  -3.786   3.326
  134    H    ILE  24           H        ILE  24  -8.260  -2.930   4.450
  135    HA   ILE  24           HA       ILE  24 -10.037  -1.123   3.195
  136    HB   ILE  24           HB       ILE  24 -10.655  -3.528   4.923
  137   1HG2  ILE  24          2HG2      ILE  24 -12.386  -1.563   3.625
  138   2HG2  ILE  24          3HG2      ILE  24 -12.763  -3.236   3.207
  139   3HG2  ILE  24          1HG2      ILE  24 -12.745  -2.731   4.897
  140   1HD1  ILE  24          1HD1      ILE  24 -11.154  -5.594   3.655
  141   2HD1  ILE  24          2HD1      ILE  24 -12.140  -4.914   2.361
  142   3HD1  ILE  24          3HD1      ILE  24 -10.628  -5.736   1.977
  143    H    GLN  25           H        GLN  25  -9.638  -2.039   6.628
  144    HA   GLN  25           HA       GLN  25 -11.663  -0.282   7.550
  145   1HE2  GLN  25          1HE2      GLN  25  -8.504  -3.950  10.267
  146   2HE2  GLN  25          2HE2      GLN  25  -8.271  -3.481  11.923
  147    H    TYR  26           H        TYR  26  -8.165   0.090   7.153
  148    HA   TYR  26           HA       TYR  26  -7.990   2.642   8.368
  149    HD1  TYR  26          1HD       TYR  26  -6.844   0.071   9.126
  150    HD2  TYR  26          2HD       TYR  26  -4.185   3.226   8.086
  151    HE1  TYR  26          1HE       TYR  26  -5.600  -0.294  11.217
  152    HE2  TYR  26          2HE       TYR  26  -2.936   2.867  10.169
  153    HH   TYR  26           HH       TYR  26  -2.866   1.804  12.113
  154    H    ALA  27           H        ALA  27  -8.734   1.589   5.100
  155    HA   ALA  27           HA       ALA  27  -8.743   4.150   3.885
  156   1HB   ALA  27          3HB       ALA  27  -8.812   1.748   2.844
  157   2HB   ALA  27          1HB       ALA  27 -10.559   1.976   2.955
  158   3HB   ALA  27          2HB       ALA  27  -9.579   3.105   2.017
  159    H    LYS  28           H        LYS  28 -11.219   2.205   5.493
  160    HA   LYS  28           HA       LYS  28 -13.407   3.923   5.001
  161   1HZ   LYS  28          1HZ       LYS  28 -16.114  -0.625   8.826
  162   2HZ   LYS  28          3HZ       LYS  28 -17.248  -0.909   7.593
  163   3HZ   LYS  28          2HZ       LYS  28 -15.756  -1.718   7.579
  164    H    MET  29           H        MET  29 -11.152   3.668   7.722
  165    HA   MET  29           HA       MET  29 -12.383   5.731   9.253
  166   1HE   MET  29          1HE       MET  29  -8.330   3.415  10.501
  167   2HE   MET  29          2HE       MET  29  -7.932   2.214  11.731
  168   3HE   MET  29          3HE       MET  29  -8.906   1.756  10.333
  169    H    GLY  30           H        GLY  30  -9.772   5.645   6.924
  170   1HA   GLY  30          2HA       GLY  30  -9.800   8.544   6.752
  171   2HA   GLY  30          1HA       GLY  30  -8.912   7.439   5.711
  172    H    GLY  31           H        GLY  31  -7.479   5.990   7.558
  173   1HA   GLY  31          2HA       GLY  31  -6.103   6.542   9.570
  174   2HA   GLY  31          1HA       GLY  31  -5.785   8.078   8.779
  175    H    ALA  32           H        ALA  32  -5.125   7.493   6.281
  176    HA   ALA  32           HA       ALA  32  -2.558   6.218   6.588
  177   1HB   ALA  32          3HB       ALA  32  -4.329   5.119   4.425
  178   2HB   ALA  32          2HB       ALA  32  -4.248   4.379   6.024
  179   3HB   ALA  32          1HB       ALA  32  -2.796   4.485   5.028
  180    H    LYS  33           H        LYS  33  -1.080   6.938   5.081
  181    HA   LYS  33           HA       LYS  33  -1.869   9.295   3.624
  182   1HZ   LYS  33          2HZ       LYS  33  -1.742  13.185   4.939
  183   2HZ   LYS  33          1HZ       LYS  33  -1.530  13.667   6.551
  184   3HZ   LYS  33          3HZ       LYS  33  -0.322  13.987   5.406
  185    H    LEU  34           H        LEU  34  -0.421   6.156   2.773
  186    HA   LEU  34           HA       LEU  34  -1.691   6.378   0.142
  187    HG   LEU  34           HG       LEU  34   0.439   4.307  -1.141
  188   1HD1  LEU  34          3HD1      LEU  34  -0.556   6.853  -2.382
  189   2HD1  LEU  34          1HD1      LEU  34  -0.218   5.409  -3.336
  190   3HD1  LEU  34          2HD1      LEU  34  -1.442   5.361  -2.064
  191   1HD2  LEU  34          3HD2      LEU  34   2.371   6.491  -1.610
  192   2HD2  LEU  34          1HD2      LEU  34   2.608   4.742  -1.600
  193   3HD2  LEU  34          2HD2      LEU  34   1.908   5.530  -3.013
  194    H    ILE  35           H        ILE  35  -2.722   4.538  -0.336
  195    HA   ILE  35           HA       ILE  35  -1.902   2.104   1.110
  196    HB   ILE  35           HB       ILE  35  -4.520   2.639  -0.311
  197   1HG2  ILE  35          1HG2      ILE  35  -3.748   0.265  -0.283
  198   2HG2  ILE  35          2HG2      ILE  35  -3.772   0.331   1.479
  199   3HG2  ILE  35          3HG2      ILE  35  -5.267   0.539   0.568
  200   1HD1  ILE  35          2HD1      ILE  35  -6.162   1.676   2.072
  201   2HD1  ILE  35          3HD1      ILE  35  -6.154   3.138   3.059
  202   3HD1  ILE  35          1HD1      ILE  35  -6.486   3.242   1.330
  203    H    ILE  36           H        ILE  36  -0.985   0.493   0.009
  204    HA   ILE  36           HA       ILE  36  -1.000   0.672  -2.935
  205    HB   ILE  36           HB       ILE  36   1.121  -0.580  -1.179
  206   1HG2  ILE  36          2HG2      ILE  36   0.598  -0.593  -4.050
  207   2HG2  ILE  36          3HG2      ILE  36   2.231  -0.070  -3.637
  208   3HG2  ILE  36          1HG2      ILE  36   1.640  -1.637  -3.083
  209   1HD1  ILE  36          2HD1      ILE  36   3.354   0.527  -2.007
  210   2HD1  ILE  36          3HD1      ILE  36   3.375   2.289  -2.084
  211   3HD1  ILE  36          1HD1      ILE  36   3.125   1.477  -0.539
  212    H    VAL  37           H        VAL  37  -1.891  -0.965  -4.004
  213    HA   VAL  37           HA       VAL  37  -2.297  -3.511  -2.572
  214    HB   VAL  37           HB       VAL  37  -4.408  -3.807  -3.825
  215   1HG1  VAL  37          2HG1      VAL  37  -3.992  -1.578  -1.919
  216   2HG1  VAL  37          3HG1      VAL  37  -5.563  -1.684  -2.713
  217   3HG1  VAL  37          1HG1      VAL  37  -4.963  -3.043  -1.760
  218   1HG2  VAL  37          3HG2      VAL  37  -3.730  -1.080  -4.883
  219   2HG2  VAL  37          1HG2      VAL  37  -4.177  -2.533  -5.778
  220   3HG2  VAL  37          2HG2      VAL  37  -5.392  -1.670  -4.834
  221    H    ALA  38           H        ALA  38  -1.698  -5.349  -3.645
  222    HA   ALA  38           HA       ALA  38  -0.108  -5.148  -6.012
  223   1HB   ALA  38          1HB       ALA  38   0.564  -7.115  -5.234
  224   2HB   ALA  38          2HB       ALA  38  -0.790  -7.175  -4.105
  225   3HB   ALA  38          3HB       ALA  38  -0.979  -7.809  -5.740
  226    H    ARG  39           H        ARG  39  -0.793  -4.998  -8.069
  227    HA   ARG  39           HA       ARG  39  -3.505  -4.780  -8.683
  228    HE   ARG  39           HE       ARG  39  -1.953  -4.130 -13.551
  229   1HH1  ARG  39          2HH1      ARG  39  -1.049  -7.366 -12.524
  230   2HH1  ARG  39          1HH1      ARG  39  -2.241  -8.151 -13.517
  231   1HH2  ARG  39          2HH2      ARG  39  -3.498  -5.158 -14.873
  232   2HH2  ARG  39          1HH2      ARG  39  -3.644  -6.895 -14.845
  233    H    ASN  40           H        ASN  40  -1.430  -7.540  -8.655
  234    HA   ASN  40           HA       ASN  40  -3.194  -9.204 -10.204
  235   1HD2  ASN  40          1HD2      ASN  40  -0.467 -11.582 -11.153
  236   2HD2  ASN  40          2HD2      ASN  40   0.301 -10.481 -12.251
  237    H    ALA  41           H        ALA  41  -3.067  -8.169  -6.971
  238    HA   ALA  41           HA       ALA  41  -4.055 -10.438  -5.611
  239   1HB   ALA  41          2HB       ALA  41  -3.730  -7.577  -5.016
  240   2HB   ALA  41          3HB       ALA  41  -5.015  -8.390  -4.122
  241   3HB   ALA  41          1HB       ALA  41  -3.360  -8.992  -4.033
  242    H    ARG  42           H        ARG  42  -6.208 -10.600  -4.610
  243    HA   ARG  42           HA       ARG  42  -8.186 -10.979  -6.439
  244    HE   ARG  42           HE       ARG  42  -6.743 -14.760  -5.064
  245   1HH1  ARG  42          2HH1      ARG  42 -10.111 -14.511  -4.088
  246   2HH1  ARG  42          1HH1      ARG  42 -10.121 -16.070  -3.311
  247   1HH2  ARG  42          2HH2      ARG  42  -6.780 -16.814  -4.093
  248   2HH2  ARG  42          1HH2      ARG  42  -8.228 -17.374  -3.310
  249    HA   PRO  43           HA       PRO  43  -9.422  -6.965  -7.842
  250    H    ASP  44           H        ASP  44 -11.659  -8.984  -5.965
  251    HA   ASP  44           HA       ASP  44 -13.467  -6.958  -5.228
  252    H    ILE  45           H        ILE  45 -10.556  -8.176  -3.659
  253    HA   ILE  45           HA       ILE  45 -10.690  -6.659  -1.300
  254    HB   ILE  45           HB       ILE  45  -8.301  -7.759  -2.787
  255   1HG2  ILE  45          1HG2      ILE  45  -7.878  -5.777  -1.190
  256   2HG2  ILE  45          2HG2      ILE  45  -8.232  -6.935   0.092
  257   3HG2  ILE  45          3HG2      ILE  45  -6.893  -7.229  -1.018
  258   1HD1  ILE  45          1HD1      ILE  45  -9.886  -7.812   0.454
  259   2HD1  ILE  45          2HD1      ILE  45 -11.092  -8.922  -0.194
  260   3HD1  ILE  45          3HD1      ILE  45  -9.726  -9.547   0.730
  261    H    LYS  46           H        LYS  46  -9.013  -6.016  -4.375
  262    HA   LYS  46           HA       LYS  46  -7.962  -3.516  -3.637
  263   1HZ   LYS  46          1HZ       LYS  46  -5.998  -4.239  -9.629
  264   2HZ   LYS  46          3HZ       LYS  46  -5.590  -5.887  -9.601
  265   3HZ   LYS  46          2HZ       LYS  46  -7.064  -5.396 -10.267
  266    H    GLU  47           H        GLU  47 -10.961  -4.370  -5.328
  267    HA   GLU  47           HA       GLU  47 -11.839  -1.793  -5.879
  268    H    ASP  48           H        ASP  48 -12.412  -3.796  -3.004
  269    HA   ASP  48           HA       ASP  48 -14.145  -2.019  -1.675
  270    H    ILE  49           H        ILE  49 -10.631  -2.432  -1.442
  271    HA   ILE  49           HA       ILE  49 -10.184  -0.400   0.440
  272    HB   ILE  49           HB       ILE  49  -8.316  -1.459  -1.683
  273   1HG2  ILE  49          3HG2      ILE  49  -8.012   0.725   0.098
  274   2HG2  ILE  49          1HG2      ILE  49  -6.959  -0.578   0.650
  275   3HG2  ILE  49          2HG2      ILE  49  -6.821   0.028  -1.001
  276   1HD1  ILE  49          3HD1      ILE  49  -6.365  -2.572  -0.211
  277   2HD1  ILE  49          1HD1      ILE  49  -6.945  -3.798   0.915
  278   3HD1  ILE  49          2HD1      ILE  49  -7.292  -3.949  -0.808
  279    H    GLU  50           H        GLU  50  -9.875  -0.330  -3.111
  280    HA   GLU  50           HA       GLU  50  -9.082   2.345  -3.307
  281    H    TYR  51           H        TYR  51 -12.322   0.913  -3.394
  282    HA   TYR  51           HA       TYR  51 -13.694   3.320  -3.965
  283    HD1  TYR  51          1HD       TYR  51 -16.778   0.762  -1.725
  284    HD2  TYR  51          2HD       TYR  51 -15.809   3.762  -4.580
  285    HE1  TYR  51          1HE       TYR  51 -19.003   1.755  -1.429
  286    HE2  TYR  51          2HE       TYR  51 -18.036   4.766  -4.291
  287    HH   TYR  51           HH       TYR  51 -19.886   4.808  -2.958
  288    H    TYR  52           H        TYR  52 -13.113   1.603  -0.896
  289    HA   TYR  52           HA       TYR  52 -14.446   3.425   0.773
  290    HD1  TYR  52          1HD       TYR  52 -13.636   0.824   3.986
  291    HD2  TYR  52          2HD       TYR  52 -15.068   1.085  -0.012
  292    HE1  TYR  52          1HE       TYR  52 -15.467  -0.714   4.545
  293    HE2  TYR  52          2HE       TYR  52 -16.907  -0.455   0.539
  294    HH   TYR  52           HH       TYR  52 -17.512  -2.108   2.120
  295    H    ALA  53           H        ALA  53 -11.037   3.223  -0.158
  296    HA   ALA  53           HA       ALA  53 -10.158   5.430   1.354
  297   1HB   ALA  53          3HB       ALA  53  -8.309   4.349   0.707
  298   2HB   ALA  53          2HB       ALA  53  -8.417   5.358  -0.735
  299   3HB   ALA  53          1HB       ALA  53  -9.070   3.721  -0.755
  300    H    ARG  54           H        ARG  54 -11.467   5.167  -1.914
  301    HA   ARG  54           HA       ARG  54 -10.894   7.754  -2.811
  302    HE   ARG  54           HE       ARG  54 -11.532   9.055  -7.310
  303   1HH1  ARG  54          2HH1      ARG  54 -12.461  10.309  -4.175
  304   2HH1  ARG  54          1HH1      ARG  54 -13.089  11.796  -4.815
  305   1HH2  ARG  54          2HH2      ARG  54 -12.356  10.989  -8.158
  306   2HH2  ARG  54          1HH2      ARG  54 -13.039  12.182  -7.086
  307    H    LEU  55           H        LEU  55 -13.635   6.502  -0.977
  308    HA   LEU  55           HA       LEU  55 -15.167   8.871  -0.959
  309    HG   LEU  55           HG       LEU  55 -15.597   5.763  -1.196
  310   1HD1  LEU  55          1HD1      LEU  55 -17.676   5.788   0.943
  311   2HD1  LEU  55          2HD1      LEU  55 -18.001   4.957  -0.579
  312   3HD1  LEU  55          3HD1      LEU  55 -16.622   4.476   0.413
  313   1HD2  LEU  55          3HD2      LEU  55 -17.522   8.021  -1.176
  314   2HD2  LEU  55          1HD2      LEU  55 -16.567   7.358  -2.503
  315   3HD2  LEU  55          2HD2      LEU  55 -18.024   6.523  -1.962
  316    H    SER  56           H        SER  56 -12.804   7.543   1.299
  317    HA   SER  56           HA       SER  56 -13.126   9.643   3.202
  318    HG   SER  56           HG       SER  56 -12.056   8.892   5.256
  319    H    GLY  57           H        GLY  57 -10.881   9.005   0.569
  320   1HA   GLY  57          2HA       GLY  57  -9.807  11.732   0.928
  321   2HA   GLY  57          1HA       GLY  57  -9.960  10.921  -0.624
  322    H    ILE  58           H        ILE  58  -8.961   8.389   0.210
  323    HA   ILE  58           HA       ILE  58  -6.149   9.069   0.785
  324    HB   ILE  58           HB       ILE  58  -7.547   6.425   1.240
  325   1HG2  ILE  58          2HG2      ILE  58  -4.975   6.630   0.640
  326   2HG2  ILE  58          3HG2      ILE  58  -4.861   7.027   2.356
  327   3HG2  ILE  58          1HG2      ILE  58  -5.560   5.487   1.850
  328   1HD1  ILE  58          3HD1      ILE  58  -7.490   5.684   3.537
  329   2HD1  ILE  58          1HD1      ILE  58  -6.333   6.598   4.504
  330   3HD1  ILE  58          2HD1      ILE  58  -8.063   6.876   4.707
  331    HA   PRO  59           HA       PRO  59  -5.514   7.767  -3.438
  332    H    VAL  60           H        VAL  60  -5.366   5.801  -4.292
  333    HA   VAL  60           HA       VAL  60  -3.901   3.721  -2.793
  334    HB   VAL  60           HB       VAL  60  -6.345   3.297  -4.531
  335   1HG1  VAL  60          2HG1      VAL  60  -4.691   1.433  -4.473
  336   2HG1  VAL  60          3HG1      VAL  60  -4.936   1.336  -2.729
  337   3HG1  VAL  60          1HG1      VAL  60  -6.277   1.012  -3.827
  338   1HG2  VAL  60          3HG2      VAL  60  -6.103   4.047  -1.765
  339   2HG2  VAL  60          1HG2      VAL  60  -7.552   3.852  -2.754
  340   3HG2  VAL  60          2HG2      VAL  60  -6.863   2.463  -1.914
  341    H    TYR  61           H        TYR  61  -2.256   2.851  -3.858
  342    HA   TYR  61           HA       TYR  61  -2.083   3.293  -6.765
  343    HD1  TYR  61          1HD       TYR  61  -0.191   4.169  -8.175
  344    HD2  TYR  61          2HD       TYR  61   1.784   1.404  -5.615
  345    HE1  TYR  61          1HE       TYR  61   1.317   3.552 -10.013
  346    HE2  TYR  61          2HE       TYR  61   3.297   0.781  -7.449
  347    HH   TYR  61           HH       TYR  61   3.875   2.485 -10.028
  348    H    GLU  62           H        GLU  62  -2.151   1.595  -8.111
  349    HA   GLU  62           HA       GLU  62  -2.274  -1.081  -6.971
  350    H    PHE  63           H        PHE  63  -0.508  -2.041  -6.521
  351    HA   PHE  63           HA       PHE  63   2.078  -1.391  -7.443
  352    HD1  PHE  63          1HD       PHE  63   4.016  -1.701  -6.101
  353    HD2  PHE  63          2HD       PHE  63   2.489  -5.670  -6.169
  354    HE1  PHE  63          1HE       PHE  63   6.307  -2.580  -5.979
  355    HE2  PHE  63          2HE       PHE  63   4.778  -6.561  -6.054
  356    HZ   PHE  63           HZ       PHE  63   6.685  -5.003  -5.932
  357    H    GLU  64           H        GLU  64   3.070  -1.954  -9.303
  358    HA   GLU  64           HA       GLU  64   1.771  -3.700 -11.183
  359    H    GLY  65           H        GLY  65   1.901  -5.335  -9.315
  360   1HA   GLY  65          2HA       GLY  65   4.182  -6.608  -8.498
  361   2HA   GLY  65          1HA       GLY  65   3.767  -7.377 -10.025
  362    H    THR  66           H        THR  66   3.449  -9.305  -8.784
  363    HA   THR  66           HA       THR  66   0.700  -9.598  -8.005
  364    HB   THR  66           HB       THR  66   1.865 -11.330  -9.367
  365    HG1  THR  66          1HG       THR  66   0.512 -12.730  -8.538
  366   1HG2  THR  66          3HG2      THR  66   4.003 -11.145  -7.923
  367   2HG2  THR  66          2HG2      THR  66   3.188 -12.291  -6.858
  368   3HG2  THR  66          1HG2      THR  66   3.524 -12.729  -8.533
  369    H    SER  67           H        SER  67   0.320 -11.084  -6.021
  370    HA   SER  67           HA       SER  67   0.862  -9.600  -3.725
  371    HG   SER  67           HG       SER  67  -0.052 -10.422  -1.953
  372    H    VAL  68           H        VAL  68   2.496 -12.387  -5.111
  373    HA   VAL  68           HA       VAL  68   4.196 -12.971  -2.931
  374    HB   VAL  68           HB       VAL  68   4.829 -13.406  -5.853
  375   1HG1  VAL  68          2HG1      VAL  68   6.618 -13.725  -4.068
  376   2HG1  VAL  68          3HG1      VAL  68   5.663 -15.103  -3.521
  377   3HG1  VAL  68          1HG1      VAL  68   6.319 -15.078  -5.157
  378   1HG2  VAL  68          1HG2      VAL  68   2.556 -14.279  -4.775
  379   2HG2  VAL  68          2HG2      VAL  68   3.471 -15.219  -5.952
  380   3HG2  VAL  68          3HG2      VAL  68   3.627 -15.571  -4.230
  381    H    GLU  69           H        GLU  69   4.664 -10.980  -5.827
  382    HA   GLU  69           HA       GLU  69   7.313 -10.223  -5.327
  383    H    LEU  70           H        LEU  70   4.247  -8.674  -4.453
  384    HA   LEU  70           HA       LEU  70   5.432  -6.414  -3.219
  385    HG   LEU  70           HG       LEU  70   3.300  -5.946  -0.985
  386   1HD1  LEU  70          3HD1      LEU  70   4.706  -4.738  -3.015
  387   2HD1  LEU  70          1HD1      LEU  70   3.304  -3.686  -2.809
  388   3HD1  LEU  70          2HD1      LEU  70   4.353  -4.037  -1.434
  389   1HD2  LEU  70          1HD2      LEU  70   0.989  -6.179  -1.876
  390   2HD2  LEU  70          2HD2      LEU  70   1.362  -4.567  -1.266
  391   3HD2  LEU  70          3HD2      LEU  70   1.341  -4.870  -3.004
  392    H    GLY  71           H        GLY  71   4.578  -9.630  -2.093
  393   1HA   GLY  71          2HA       GLY  71   5.139 -10.769  -0.180
  394   2HA   GLY  71          1HA       GLY  71   5.031  -9.238   0.676
  395    H    THR  72           H        THR  72   7.175 -10.237  -1.967
  396    HA   THR  72           HA       THR  72   9.497 -10.572  -0.382
  397    HB   THR  72           HB       THR  72   9.538  -9.736  -3.275
  398    HG1  THR  72          1HG       THR  72   8.562 -12.102  -2.119
  399   1HG2  THR  72          1HG2      THR  72  11.443 -10.763  -1.375
  400   2HG2  THR  72          3HG2      THR  72  11.288 -11.865  -2.746
  401   3HG2  THR  72          2HG2      THR  72  11.710 -10.171  -3.016
  402    H    LEU  73           H        LEU  73   8.185  -7.859  -2.232
  403    HA   LEU  73           HA       LEU  73  10.311  -6.061  -1.897
  404    HG   LEU  73           HG       LEU  73   8.184  -3.552  -3.662
  405   1HD1  LEU  73          2HD1      LEU  73   8.358  -3.135  -1.141
  406   2HD1  LEU  73          3HD1      LEU  73  10.098  -3.278  -1.386
  407   3HD1  LEU  73          1HD1      LEU  73   9.183  -2.034  -2.241
  408   1HD2  LEU  73          1HD2      LEU  73  10.185  -5.219  -4.235
  409   2HD2  LEU  73          2HD2      LEU  73  10.232  -3.496  -4.613
  410   3HD2  LEU  73          3HD2      LEU  73  11.044  -4.103  -3.172
  411    H    LEU  74           H        LEU  74   7.336  -6.496  -0.007
  412    HA   LEU  74           HA       LEU  74   7.919  -4.452   1.854
  413    HG   LEU  74           HG       LEU  74   6.359  -5.265   4.243
  414   1HD1  LEU  74          2HD1      LEU  74   5.527  -3.268   2.168
  415   2HD1  LEU  74          3HD1      LEU  74   5.210  -3.001   3.884
  416   3HD1  LEU  74          1HD1      LEU  74   6.868  -3.191   3.313
  417   1HD2  LEU  74          3HD2      LEU  74   4.130  -6.405   3.326
  418   2HD2  LEU  74          1HD2      LEU  74   4.159  -5.388   4.768
  419   3HD2  LEU  74          2HD2      LEU  74   3.639  -4.713   3.223
  420    H    GLY  75           H        GLY  75   8.653  -7.873   1.751
  421   1HA   GLY  75          2HA       GLY  75  10.430  -7.489   4.046
  422   2HA   GLY  75          1HA       GLY  75  10.475  -8.831   2.912
  423    H    ARG  76           H        ARG  76   8.120  -9.953   2.925
  424    HA   ARG  76           HA       ARG  76   7.858 -10.891   5.680
  425    HE   ARG  76           HE       ARG  76   3.348 -10.971   4.167
  426   1HH1  ARG  76          2HH1      ARG  76   1.492  -9.711   6.846
  427   2HH1  ARG  76          1HH1      ARG  76  -0.023  -9.753   5.997
  428   1HH2  ARG  76          2HH2      ARG  76   1.357 -11.024   3.032
  429   2HH2  ARG  76          1HH2      ARG  76  -0.091 -10.483   3.817
  430    HA   PRO  77           HA       PRO  77   7.804 -14.709   3.369
  431    H    HIS  78           H        HIS  78   5.427 -13.218   3.364
  432    HA   HIS  78           HA       HIS  78   3.476 -15.293   2.990
  433    HD1  HIS  78          1HD       HIS  78   1.690 -16.680   4.363
  434    HD2  HIS  78          2HD       HIS  78   3.835 -14.727   7.356
  435    HE1  HIS  78          1HE       HIS  78   1.940 -18.353   6.232
  436    HE2  HIS  78          2HE       HIS  78   3.329 -17.188   7.987
  437    H    THR  79           H        THR  79   2.291 -14.767   1.265
  438    HA   THR  79           HA       THR  79   2.875 -12.629  -0.358
  439    HB   THR  79           HB       THR  79   0.591 -13.126  -1.421
  440    HG1  THR  79          1HG       THR  79  -0.643 -14.126   0.036
  441   1HG2  THR  79          2HG2      THR  79   2.850 -15.048  -1.086
  442   2HG2  THR  79          1HG2      THR  79   1.418 -15.552  -1.982
  443   3HG2  THR  79          3HG2      THR  79   2.343 -14.149  -2.515
  444    H    VAL  80           H        VAL  80   2.457 -10.519  -0.274
  445    HA   VAL  80           HA       VAL  80   0.464  -9.554   1.637
  446    HB   VAL  80           HB       VAL  80   2.512  -7.996   0.041
  447   1HG1  VAL  80          3HG1      VAL  80   0.687  -7.137   2.284
  448   2HG1  VAL  80          1HG1      VAL  80   1.978  -6.156   1.589
  449   3HG1  VAL  80          2HG1      VAL  80   0.594  -6.621   0.599
  450   1HG2  VAL  80          1HG2      VAL  80   2.867  -9.635   2.283
  451   2HG2  VAL  80          2HG2      VAL  80   4.010  -8.467   1.614
  452   3HG2  VAL  80          3HG2      VAL  80   2.891  -7.978   2.887
  453    H    SER  81           H        SER  81  -1.515  -9.106   0.960
  454    HA   SER  81           HA       SER  81  -2.089  -8.889  -1.860
  455    HG   SER  81           HG       SER  81  -3.415 -10.890  -0.959
  456    H    ALA  82           H        ALA  82  -2.066  -6.796   0.966
  457    HA   ALA  82           HA       ALA  82  -1.754  -4.438  -0.643
  458   1HB   ALA  82          1HB       ALA  82  -4.218  -4.865  -0.694
  459   2HB   ALA  82          2HB       ALA  82  -4.232  -4.657   1.059
  460   3HB   ALA  82          3HB       ALA  82  -3.762  -3.313   0.016
  461    H    LEU  83           H        LEU  83  -1.169  -2.604   0.599
  462    HA   LEU  83           HA       LEU  83  -0.864  -2.958   3.480
  463    HG   LEU  83           HG       LEU  83   1.104  -2.360   0.443
  464   1HD1  LEU  83          3HD1      LEU  83   1.770  -0.411   2.199
  465   2HD1  LEU  83          1HD1      LEU  83   3.364  -0.936   1.656
  466   3HD1  LEU  83          2HD1      LEU  83   2.167  -0.386   0.482
  467   1HD2  LEU  83          3HD2      LEU  83   3.349  -3.672   1.876
  468   2HD2  LEU  83          1HD2      LEU  83   2.568  -4.104   0.354
  469   3HD2  LEU  83          2HD2      LEU  83   3.703  -2.755   0.411
  470    H    ALA  84           H        ALA  84  -0.976  -1.076   4.610
  471    HA   ALA  84           HA       ALA  84  -1.503   1.330   3.007
  472   1HB   ALA  84          1HB       ALA  84  -2.251   1.097   5.890
  473   2HB   ALA  84          3HB       ALA  84  -3.212   0.261   4.667
  474   3HB   ALA  84          2HB       ALA  84  -3.026   2.015   4.598
  475    H    VAL  85           H        VAL  85   0.114   2.723   2.914
  476    HA   VAL  85           HA       VAL  85   2.168   2.825   4.959
  477    HB   VAL  85           HB       VAL  85   1.773   4.646   2.571
  478   1HG1  VAL  85          1HG1      VAL  85   3.933   4.346   4.614
  479   2HG1  VAL  85          2HG1      VAL  85   4.339   4.863   2.978
  480   3HG1  VAL  85          3HG1      VAL  85   3.214   5.813   3.946
  481   1HG2  VAL  85          1HG2      VAL  85   2.377   1.960   2.508
  482   2HG2  VAL  85          2HG2      VAL  85   2.733   3.134   1.239
  483   3HG2  VAL  85          3HG2      VAL  85   3.961   2.733   2.441
  484    H    VAL  86           H        VAL  86   1.532   3.709   6.820
  485    HA   VAL  86           HA       VAL  86  -0.373   5.904   6.847
  486    HB   VAL  86           HB       VAL  86   0.955   4.536   9.193
  487   1HG1  VAL  86          1HG1      VAL  86  -0.356   6.888   9.223
  488   2HG1  VAL  86          2HG1      VAL  86  -1.705   5.772   9.445
  489   3HG1  VAL  86          3HG1      VAL  86  -0.349   5.749  10.570
  490   1HG2  VAL  86          1HG2      VAL  86  -0.535   3.172   7.516
  491   2HG2  VAL  86          2HG2      VAL  86  -0.708   2.963   9.260
  492   3HG2  VAL  86          3HG2      VAL  86  -1.850   3.973   8.376
  493    H    ASP  87           H        ASP  87   2.950   5.250   7.893
  494    HA   ASP  87           HA       ASP  87   3.378   8.164   8.022
  495    HA   PRO  88           HA       PRO  88   6.302   6.893   4.857
  496    H    GLY  89           H        GLY  89   7.357   7.381   7.369
  497   1HA   GLY  89          2HA       GLY  89   9.232   8.122   8.450
  498   2HA   GLY  89          1HA       GLY  89   8.982   9.640   7.604
  499    H    GLU  90           H        GLU  90  10.682  10.278   6.570
  500    HA   GLU  90           HA       GLU  90  12.510  10.356   5.232
  501    H    SER  91           H        SER  91  10.472   9.338   3.764
  502    HA   SER  91           HA       SER  91  11.910   7.609   1.927
  503    HG   SER  91           HG       SER  91   9.390   7.018   4.383
  504    H    ARG  92           H        ARG  92  11.176   7.715  -0.207
  505    HA   ARG  92           HA       ARG  92   9.464  10.037  -0.742
  506    HE   ARG  92           HE       ARG  92  12.283  10.941  -4.792
  507   1HH1  ARG  92          2HH1      ARG  92  12.671  12.802  -1.838
  508   2HH1  ARG  92          1HH1      ARG  92  11.800  14.176  -2.451
  509   1HH2  ARG  92          2HH2      ARG  92  11.145  12.752  -5.585
  510   2HH2  ARG  92          1HH2      ARG  92  10.969  14.164  -4.586
  511    H    ILE  93           H        ILE  93   8.196   7.745   0.172
  512    HA   ILE  93           HA       ILE  93   7.247   6.112  -1.945
  513    HB   ILE  93           HB       ILE  93   7.237   5.416   0.438
  514   1HG2  ILE  93          1HG2      ILE  93   6.487   7.536   1.411
  515   2HG2  ILE  93          2HG2      ILE  93   4.885   7.279   0.719
  516   3HG2  ILE  93          3HG2      ILE  93   5.505   6.174   1.946
  517   1HD1  ILE  93          2HD1      ILE  93   6.940   4.176  -1.726
  518   2HD1  ILE  93          3HD1      ILE  93   6.095   2.902  -0.844
  519   3HD1  ILE  93          1HD1      ILE  93   5.321   3.681  -2.224
  520    H    LEU  94           H        LEU  94   6.238   9.155  -0.599
  521    HA   LEU  94           HA       LEU  94   3.640   9.209  -1.773
  522    HG   LEU  94           HG       LEU  94   4.826   9.916   1.049
  523   1HD1  LEU  94          1HD1      LEU  94   4.073  12.683   0.903
  524   2HD1  LEU  94          2HD1      LEU  94   3.045  11.821   2.047
  525   3HD1  LEU  94          3HD1      LEU  94   4.797  11.785   2.236
  526   1HD2  LEU  94          1HD2      LEU  94   1.957  10.427   0.277
  527   2HD2  LEU  94          2HD2      LEU  94   2.828   8.903   0.101
  528   3HD2  LEU  94          3HD2      LEU  94   2.501   9.551   1.708
  529    H    ALA  95           H        ALA  95   6.622   9.305  -3.192
  530    HA   ALA  95           HA       ALA  95   6.358  11.344  -5.130
  531   1HB   ALA  95          2HB       ALA  95   8.369  10.653  -5.794
  532   2HB   ALA  95          1HB       ALA  95   7.800   9.007  -6.072
  533   3HB   ALA  95          3HB       ALA  95   8.300   9.506  -4.454
  534    H    LEU  96           H        LEU  96   5.329   7.978  -5.028
  535    HA   LEU  96           HA       LEU  96   4.443   7.844  -7.724
  536    HG   LEU  96           HG       LEU  96   5.748   5.777  -7.428
  537   1HD1  LEU  96          2HD1      LEU  96   5.615   5.856  -4.476
  538   2HD1  LEU  96          3HD1      LEU  96   6.720   4.683  -5.194
  539   3HD1  LEU  96          1HD1      LEU  96   6.886   6.398  -5.572
  540   1HD2  LEU  96          3HD2      LEU  96   3.818   3.847  -6.662
  541   2HD2  LEU  96          1HD2      LEU  96   5.225   3.649  -7.706
  542   3HD2  LEU  96          2HD2      LEU  96   5.372   3.384  -5.968
  543    H    GLY  97           H        GLY  97   3.019   8.920  -4.741
  544   1HA   GLY  97          2HA       GLY  97   0.907  10.261  -6.136
  545   2HA   GLY  97          1HA       GLY  97   1.165  10.243  -4.399
  546    H    GLY  98           H        GLY  98   0.086   8.119  -7.043
  547   1HA   GLY  98          2HA       GLY  98  -2.292   7.424  -5.570
  548   2HA   GLY  98          1HA       GLY  98  -1.133   6.106  -5.680
  549    H    LYS  99           H        LYS  99  -3.886   6.879  -6.911
  550    HA   LYS  99           HA       LYS  99  -3.552   5.441  -9.326
  551   1HZ   LYS  99          1HZ       LYS  99  -9.975   7.253 -10.719
  552   2HZ   LYS  99          3HZ       LYS  99 -10.341   6.266 -12.047
  553   3HZ   LYS  99          2HZ       LYS  99 -10.429   5.639 -10.471
  554    H    GLU 100           H        GLU 100  -4.162   8.878  -8.658
  555    HA   GLU 100           HA       GLU 100  -2.762   9.776 -10.969

  No H/Q in entry =         555
  Start of MODEL    5
    1    H1   GLY  -2          2H        GLY  -2   8.561   2.144 -16.759
    2    H2   GLY  -2          1H        GLY  -2   8.458   0.576 -17.400
    3    H3   GLY  -2          3H        GLY  -2   7.070   1.338 -16.792
    4   1HA   GLY  -2          1HA       GLY  -2   9.355   0.202 -15.324
    5   2HA   GLY  -2          2HA       GLY  -2   7.639  -0.116 -15.108
    6    H    SER  -1           H        SER  -1   7.311   0.464 -13.035
    7    HA   SER  -1           HA       SER  -1   7.390   3.274 -12.395
    8    HG   SER  -1           HG       SER  -1   4.544   1.306 -11.410
    9    H    VAL   1           H        VAL   1   9.929   2.541 -12.861
   10    HA   VAL   1           HA       VAL   1  12.050   2.530 -12.047
   11    HB   VAL   1           HB       VAL   1  11.002   3.787  -9.520
   12   1HG1  VAL   1          2HG1      VAL   1  13.549   3.307 -10.473
   13   2HG1  VAL   1          3HG1      VAL   1  13.279   5.010 -10.846
   14   3HG1  VAL   1          1HG1      VAL   1  13.111   4.432  -9.188
   15   1HG2  VAL   1          1HG2      VAL   1  10.504   4.712 -12.191
   16   2HG2  VAL   1          2HG2      VAL   1   9.986   5.404 -10.654
   17   3HG2  VAL   1          3HG2      VAL   1  11.550   5.849 -11.340
   18    H    ASP   2           H        ASP   2  11.771   2.602  -8.785
   19    HA   ASP   2           HA       ASP   2  11.122  -0.049  -8.090
   20    H    PHE   3           H        PHE   3  10.581   0.002  -5.993
   21    HA   PHE   3           HA       PHE   3  11.674   2.203  -4.370
   22    HD1  PHE   3          1HD       PHE   3   8.899  -0.462  -3.503
   23    HD2  PHE   3          2HD       PHE   3   7.632   2.610  -6.171
   24    HE1  PHE   3          1HE       PHE   3   7.023  -1.862  -4.208
   25    HE2  PHE   3          2HE       PHE   3   5.751   1.204  -6.889
   26    HZ   PHE   3           HZ       PHE   3   5.444  -1.028  -5.912
   27    H    ALA   4           H        ALA   4  12.486  -0.563  -4.450
   28    HA   ALA   4           HA       ALA   4  11.362  -2.052  -2.352
   29   1HB   ALA   4          1HB       ALA   4  13.948  -2.097  -3.820
   30   2HB   ALA   4          2HB       ALA   4  13.831  -3.008  -2.313
   31   3HB   ALA   4          3HB       ALA   4  12.725  -3.356  -3.642
   32    H    PHE   5           H        PHE   5  14.198   0.078  -2.415
   33    HA   PHE   5           HA       PHE   5  14.758  -0.090   0.351
   34    HD1  PHE   5          1HD       PHE   5  16.442   0.212   1.468
   35    HD2  PHE   5          2HD       PHE   5  16.811   3.858  -0.697
   36    HE1  PHE   5          1HE       PHE   5  17.769   1.165   3.306
   37    HE2  PHE   5          2HE       PHE   5  18.142   4.814   1.138
   38    HZ   PHE   5           HZ       PHE   5  18.621   3.467   3.141
   39    H    GLU   6           H        GLU   6  12.851   2.188  -1.583
   40    HA   GLU   6           HA       GLU   6  12.267   3.996   0.475
   41    H    LEU   7           H        LEU   7  10.406   1.170  -0.650
   42    HA   LEU   7           HA       LEU   7   8.270   1.503   1.150
   43    HG   LEU   7           HG       LEU   7   7.553  -1.487   1.660
   44   1HD1  LEU   7          1HD1      LEU   7   6.549   0.871   1.226
   45   2HD1  LEU   7          2HD1      LEU   7   5.615   0.046  -0.019
   46   3HD1  LEU   7          3HD1      LEU   7   5.483  -0.463   1.663
   47   1HD2  LEU   7          2HD2      LEU   7   7.718  -2.792  -0.478
   48   2HD2  LEU   7          3HD2      LEU   7   6.132  -2.806   0.292
   49   3HD2  LEU   7          1HD2      LEU   7   6.421  -1.777  -1.111
   50    H    ARG   8           H        ARG   8  11.308  -0.306   1.408
   51    HA   ARG   8           HA       ARG   8  10.819  -1.398   3.982
   52    HE   ARG   8           HE       ARG   8  12.816  -5.066   1.359
   53   1HH1  ARG   8          2HH1      ARG   8  15.463  -3.304  -0.122
   54   2HH1  ARG   8          1HH1      ARG   8  15.761  -4.529  -1.323
   55   1HH2  ARG   8          2HH2      ARG   8  13.264  -6.702  -0.146
   56   2HH2  ARG   8          1HH2      ARG   8  14.525  -6.476  -1.326
   57    H    LYS   9           H        LYS   9  12.312   1.595   2.879
   58    HA   LYS   9           HA       LYS   9  13.128   2.607   5.378
   59   1HZ   LYS   9          3HZ       LYS   9  14.850   7.747   1.679
   60   2HZ   LYS   9          2HZ       LYS   9  16.225   6.871   1.219
   61   3HZ   LYS   9          1HZ       LYS   9  14.734   6.570   0.459
   62    H    ALA  10           H        ALA  10  10.105   2.902   3.563
   63    HA   ALA  10           HA       ALA  10   8.810   4.723   5.261
   64   1HB   ALA  10          3HB       ALA  10   6.702   3.741   4.239
   65   2HB   ALA  10          1HB       ALA  10   7.885   4.412   3.116
   66   3HB   ALA  10          2HB       ALA  10   7.766   2.665   3.333
   67    H    GLN  11           H        GLN  11   8.906   1.192   5.242
   68    HA   GLN  11           HA       GLN  11   7.095   0.773   7.372
   69   1HE2  GLN  11          1HE2      GLN  11   8.757  -2.157   3.489
   70   2HE2  GLN  11          2HE2      GLN  11   8.673  -3.859   3.774
   71    H    ASP  12           H        ASP  12  10.522   1.434   7.240
   72    HA   ASP  12           HA       ASP  12  10.995   0.841   9.993
   73    H    THR  13           H        THR  13  10.871   3.889   8.135
   74    HA   THR  13           HA       THR  13  11.230   5.437  10.532
   75    HB   THR  13           HB       THR  13  10.954   7.410   9.011
   76    HG1  THR  13          1HG       THR  13  10.818   5.387   6.992
   77   1HG2  THR  13          3HG2      THR  13  12.991   5.275   8.652
   78   2HG2  THR  13          2HG2      THR  13  13.010   6.641   7.538
   79   3HG2  THR  13          1HG2      THR  13  13.172   6.914   9.272
   80    H    GLY  14           H        GLY  14   8.596   5.251   8.132
   81   1HA   GLY  14          2HA       GLY  14   6.451   6.138   8.288
   82   2HA   GLY  14          1HA       GLY  14   6.824   6.702   9.911
   83    H    LYS  15           H        LYS  15   4.897   4.698   8.258
   84    HA   LYS  15           HA       LYS  15   4.986   2.380   9.958
   85   1HZ   LYS  15          2HZ       LYS  15   2.024   1.225  13.895
   86   2HZ   LYS  15          1HZ       LYS  15   0.611   0.894  13.012
   87   3HZ   LYS  15          3HZ       LYS  15   1.349  -0.331  13.926
   88    H    ILE  16           H        ILE  16   4.412   0.724   8.747
   89    HA   ILE  16           HA       ILE  16   2.469   1.154   6.565
   90    HB   ILE  16           HB       ILE  16   4.795  -0.783   6.557
   91   1HG2  ILE  16          1HG2      ILE  16   2.502  -1.193   5.282
   92   2HG2  ILE  16          2HG2      ILE  16   3.272  -0.134   4.098
   93   3HG2  ILE  16          3HG2      ILE  16   4.061  -1.634   4.587
   94   1HD1  ILE  16          3HD1      ILE  16   3.456   1.650   4.182
   95   2HD1  ILE  16          1HD1      ILE  16   3.856   2.828   5.432
   96   3HD1  ILE  16          2HD1      ILE  16   4.924   2.620   4.044
   97    H    VAL  17           H        VAL  17   0.705  -0.117   6.663
   98    HA   VAL  17           HA       VAL  17   0.702  -2.282   8.650
   99    HB   VAL  17           HB       VAL  17  -1.626  -0.881   7.322
  100   1HG1  VAL  17          3HG1      VAL  17  -1.437  -3.266   9.058
  101   2HG1  VAL  17          1HG1      VAL  17  -2.697  -2.100   9.467
  102   3HG1  VAL  17          2HG1      VAL  17  -2.655  -2.826   7.859
  103   1HG2  VAL  17          2HG2      VAL  17  -0.419   0.552   8.878
  104   2HG2  VAL  17          3HG2      VAL  17  -1.996   0.111   9.530
  105   3HG2  VAL  17          1HG2      VAL  17  -0.540  -0.684  10.130
  106    H    MET  18           H        MET  18   1.008  -4.249   7.915
  107    HA   MET  18           HA       MET  18   0.623  -4.892   5.131
  108   1HE   MET  18          3HE       MET  18   1.871  -7.735   8.516
  109   2HE   MET  18          1HE       MET  18   1.514  -9.461   8.463
  110   3HE   MET  18          2HE       MET  18   3.138  -8.909   8.873
  111    H    GLY  19           H        GLY  19  -1.258  -5.606   4.354
  112   1HA   GLY  19          2HA       GLY  19  -3.276  -6.655   6.176
  113   2HA   GLY  19          1HA       GLY  19  -2.675  -7.776   4.961
  114    H    ALA  20           H        ALA  20  -4.097  -7.965   3.365
  115    HA   ALA  20           HA       ALA  20  -4.814  -5.778   1.723
  116   1HB   ALA  20          1HB       ALA  20  -5.171  -7.495   0.355
  117   2HB   ALA  20          3HB       ALA  20  -6.650  -7.853   1.250
  118   3HB   ALA  20          2HB       ALA  20  -5.133  -8.629   1.707
  119    H    ARG  21           H        ARG  21  -6.810  -7.768   3.890
  120    HA   ARG  21           HA       ARG  21  -9.082  -6.084   3.697
  121    HE   ARG  21           HE       ARG  21  -7.962 -10.923   7.956
  122   1HH1  ARG  21          2HH1      ARG  21  -7.370 -10.734   4.500
  123   2HH1  ARG  21          1HH1      ARG  21  -5.941 -11.721   4.568
  124   1HH2  ARG  21          2HH2      ARG  21  -6.102 -12.228   8.044
  125   2HH2  ARG  21          1HH2      ARG  21  -5.216 -12.577   6.584
  126    H    LYS  22           H        LYS  22  -6.267  -6.083   5.724
  127    HA   LYS  22           HA       LYS  22  -7.272  -4.393   7.768
  128   1HZ   LYS  22          3HZ       LYS  22  -5.913  -5.358  10.695
  129   2HZ   LYS  22          2HZ       LYS  22  -4.944  -6.103  11.875
  130   3HZ   LYS  22          1HZ       LYS  22  -5.070  -4.415  11.825
  131    H    SER  23           H        SER  23  -5.716  -3.818   4.664
  132    HA   SER  23           HA       SER  23  -5.387  -1.029   4.931
  133    HG   SER  23           HG       SER  23  -3.969  -3.366   3.512
  134    H    ILE  24           H        ILE  24  -8.089  -3.051   3.951
  135    HA   ILE  24           HA       ILE  24  -9.827  -1.031   3.006
  136    HB   ILE  24           HB       ILE  24 -10.622  -3.579   4.431
  137   1HG2  ILE  24          3HG2      ILE  24 -12.243  -1.558   3.818
  138   2HG2  ILE  24          1HG2      ILE  24 -12.237  -2.379   2.257
  139   3HG2  ILE  24          2HG2      ILE  24 -12.749  -3.244   3.707
  140   1HD1  ILE  24          1HD1      ILE  24 -11.494  -5.256   2.942
  141   2HD1  ILE  24          2HD1      ILE  24 -11.539  -4.853   1.225
  142   3HD1  ILE  24          3HD1      ILE  24 -10.205  -5.812   1.869
  143    H    GLN  25           H        GLN  25  -9.243  -2.404   6.204
  144    HA   GLN  25           HA       GLN  25 -11.242  -1.014   7.609
  145   1HE2  GLN  25          1HE2      GLN  25  -8.474  -1.280  12.032
  146   2HE2  GLN  25          2HE2      GLN  25  -8.582  -2.859  12.746
  147    H    TYR  26           H        TYR  26  -7.837  -0.229   6.979
  148    HA   TYR  26           HA       TYR  26  -7.866   2.211   8.432
  149    HD1  TYR  26          1HD       TYR  26  -6.294  -0.612   8.536
  150    HD2  TYR  26          2HD       TYR  26  -4.384   3.189   8.601
  151    HE1  TYR  26          1HE       TYR  26  -5.027  -1.287  10.531
  152    HE2  TYR  26          2HE       TYR  26  -3.115   2.522  10.597
  153    HH   TYR  26           HH       TYR  26  -3.803  -0.453  12.300
  154    H    ALA  27           H        ALA  27  -8.654   1.353   5.134
  155    HA   ALA  27           HA       ALA  27  -8.844   3.979   4.090
  156   1HB   ALA  27          3HB       ALA  27  -9.872   1.301   3.293
  157   2HB   ALA  27          2HB       ALA  27  -8.846   2.427   2.404
  158   3HB   ALA  27          1HB       ALA  27 -10.578   2.730   2.539
  159    H    LYS  28           H        LYS  28 -11.080   1.870   5.801
  160    HA   LYS  28           HA       LYS  28 -13.385   3.496   5.557
  161   1HZ   LYS  28          1HZ       LYS  28 -14.318  -3.021   6.945
  162   2HZ   LYS  28          3HZ       LYS  28 -15.980  -2.770   6.706
  163   3HZ   LYS  28          2HZ       LYS  28 -15.056  -3.525   5.503
  164    H    MET  29           H        MET  29 -10.969   3.177   8.150
  165    HA   MET  29           HA       MET  29 -12.231   5.105   9.811
  166   1HE   MET  29          2HE       MET  29  -8.743   5.118  12.296
  167   2HE   MET  29          3HE       MET  29  -8.125   3.924  13.438
  168   3HE   MET  29          1HE       MET  29  -7.004   4.927  12.516
  169    H    GLY  30           H        GLY  30  -9.624   5.286   7.456
  170   1HA   GLY  30          2HA       GLY  30  -9.854   8.181   7.415
  171   2HA   GLY  30          1HA       GLY  30  -8.894   7.193   6.327
  172    H    GLY  31           H        GLY  31  -6.951   8.222   6.492
  173   1HA   GLY  31          2HA       GLY  31  -5.587   7.923   9.072
  174   2HA   GLY  31          1HA       GLY  31  -5.662   9.527   8.360
  175    H    ALA  32           H        ALA  32  -5.213   6.422   6.754
  176    HA   ALA  32           HA       ALA  32  -2.435   6.496   6.514
  177   1HB   ALA  32          2HB       ALA  32  -4.149   5.225   4.415
  178   2HB   ALA  32          1HB       ALA  32  -4.113   4.577   6.057
  179   3HB   ALA  32          3HB       ALA  32  -2.627   4.663   5.108
  180    H    LYS  33           H        LYS  33  -1.045   7.349   5.066
  181    HA   LYS  33           HA       LYS  33  -1.903   9.576   3.505
  182   1HZ   LYS  33          1HZ       LYS  33   0.627  11.999   7.318
  183   2HZ   LYS  33          3HZ       LYS  33   2.065  11.404   6.638
  184   3HZ   LYS  33          2HZ       LYS  33   1.850  13.072   6.849
  185    H    LEU  34           H        LEU  34  -0.759   6.312   2.758
  186    HA   LEU  34           HA       LEU  34  -1.951   6.512   0.089
  187    HG   LEU  34           HG       LEU  34  -0.188   4.416  -1.282
  188   1HD1  LEU  34          3HD1      LEU  34  -0.545   7.233  -2.141
  189   2HD1  LEU  34          1HD1      LEU  34  -0.124   6.037  -3.364
  190   3HD1  LEU  34          2HD1      LEU  34  -1.582   5.831  -2.395
  191   1HD2  LEU  34          3HD2      LEU  34   2.275   4.884  -0.976
  192   2HD2  LEU  34          1HD2      LEU  34   1.741   4.589  -2.634
  193   3HD2  LEU  34          2HD2      LEU  34   2.064   6.236  -2.091
  194    H    ILE  35           H        ILE  35  -2.457   4.420  -0.831
  195    HA   ILE  35           HA       ILE  35  -1.972   2.133   0.962
  196    HB   ILE  35           HB       ILE  35  -4.577   2.664  -0.485
  197   1HG2  ILE  35          1HG2      ILE  35  -3.432   0.211   0.755
  198   2HG2  ILE  35          2HG2      ILE  35  -5.164   0.507   0.923
  199   3HG2  ILE  35          3HG2      ILE  35  -4.439   0.387  -0.681
  200   1HD1  ILE  35          1HD1      ILE  35  -6.472   2.335   1.012
  201   2HD1  ILE  35          2HD1      ILE  35  -6.115   1.916   2.687
  202   3HD1  ILE  35          3HD1      ILE  35  -6.409   3.595   2.242
  203    H    ILE  36           H        ILE  36  -0.963   0.516  -0.072
  204    HA   ILE  36           HA       ILE  36  -0.892   0.635  -3.013
  205    HB   ILE  36           HB       ILE  36   1.097  -0.611  -1.104
  206   1HG2  ILE  36          2HG2      ILE  36   0.713  -1.662  -3.447
  207   2HG2  ILE  36          3HG2      ILE  36   1.560  -0.234  -4.038
  208   3HG2  ILE  36          1HG2      ILE  36   2.360  -1.330  -2.909
  209   1HD1  ILE  36          2HD1      ILE  36   3.353   0.234  -1.701
  210   2HD1  ILE  36          3HD1      ILE  36   3.506   1.719  -2.642
  211   3HD1  ILE  36          1HD1      ILE  36   3.303   1.801  -0.891
  212    H    VAL  37           H        VAL  37  -1.729  -0.967  -4.174
  213    HA   VAL  37           HA       VAL  37  -2.328  -3.517  -2.812
  214    HB   VAL  37           HB       VAL  37  -4.352  -3.727  -4.236
  215   1HG1  VAL  37          3HG1      VAL  37  -3.976  -2.083  -1.965
  216   2HG1  VAL  37          1HG1      VAL  37  -5.157  -1.291  -3.009
  217   3HG1  VAL  37          2HG1      VAL  37  -5.429  -2.946  -2.465
  218   1HG2  VAL  37          1HG2      VAL  37  -3.567  -2.151  -6.011
  219   2HG2  VAL  37          2HG2      VAL  37  -5.224  -1.876  -5.473
  220   3HG2  VAL  37          3HG2      VAL  37  -3.928  -0.819  -4.910
  221    H    ALA  38           H        ALA  38  -1.746  -5.350  -3.854
  222    HA   ALA  38           HA       ALA  38  -0.024  -5.157  -6.120
  223   1HB   ALA  38          2HB       ALA  38   0.683  -6.978  -5.031
  224   2HB   ALA  38          3HB       ALA  38  -0.884  -7.244  -4.268
  225   3HB   ALA  38          1HB       ALA  38  -0.595  -7.822  -5.909
  226    H    ARG  39           H        ARG  39  -0.321  -6.129  -8.194
  227    HA   ARG  39           HA       ARG  39  -2.803  -5.503  -9.364
  228    HE   ARG  39           HE       ARG  39  -1.756  -1.979 -11.154
  229   1HH1  ARG  39          2HH1      ARG  39   0.272  -4.140 -13.041
  230   2HH1  ARG  39          1HH1      ARG  39   1.424  -2.901 -13.455
  231   1HH2  ARG  39          2HH2      ARG  39  -0.220  -0.348 -11.713
  232   2HH2  ARG  39          1HH2      ARG  39   1.155  -0.777 -12.696
  233    H    ASN  40           H        ASN  40  -1.369  -8.598  -8.423
  234    HA   ASN  40           HA       ASN  40  -3.606 -10.098  -9.465
  235   1HD2  ASN  40          1HD2      ASN  40  -1.425 -13.131  -7.178
  236   2HD2  ASN  40          2HD2      ASN  40  -0.498 -12.415  -5.893
  237    H    ALA  41           H        ALA  41  -3.781  -8.069  -7.134
  238    HA   ALA  41           HA       ALA  41  -4.636  -9.636  -4.892
  239   1HB   ALA  41          1HB       ALA  41  -4.020  -6.939  -5.334
  240   2HB   ALA  41          2HB       ALA  41  -5.717  -6.978  -4.855
  241   3HB   ALA  41          3HB       ALA  41  -4.490  -7.701  -3.815
  242    H    ARG  42           H        ARG  42  -6.724  -9.965  -4.160
  243    HA   ARG  42           HA       ARG  42  -8.659 -10.613  -6.046
  244    HE   ARG  42           HE       ARG  42 -11.483 -12.330  -5.326
  245   1HH1  ARG  42          2HH1      ARG  42  -9.876 -14.832  -3.483
  246   2HH1  ARG  42          1HH1      ARG  42 -11.323 -15.314  -2.641
  247   1HH2  ARG  42          2HH2      ARG  42 -13.379 -12.968  -4.237
  248   2HH2  ARG  42          1HH2      ARG  42 -13.310 -14.268  -3.087
  249    HA   PRO  43           HA       PRO  43 -10.299  -6.753  -7.348
  250    H    ASP  44           H        ASP  44 -12.259  -8.772  -5.192
  251    HA   ASP  44           HA       ASP  44 -14.037  -6.771  -4.309
  252    H    ILE  45           H        ILE  45 -10.825  -7.716  -3.263
  253    HA   ILE  45           HA       ILE  45 -10.699  -6.085  -0.945
  254    HB   ILE  45           HB       ILE  45  -8.485  -7.128  -2.719
  255   1HG2  ILE  45          3HG2      ILE  45  -8.252  -5.106  -0.893
  256   2HG2  ILE  45          1HG2      ILE  45  -7.825  -6.528   0.058
  257   3HG2  ILE  45          2HG2      ILE  45  -6.943  -6.161  -1.425
  258   1HD1  ILE  45          1HD1      ILE  45  -9.428  -7.292   0.789
  259   2HD1  ILE  45          2HD1      ILE  45 -10.836  -8.194   0.231
  260   3HD1  ILE  45          3HD1      ILE  45  -9.455  -9.050   0.914
  261    H    LYS  46           H        LYS  46  -9.650  -5.615  -4.305
  262    HA   LYS  46           HA       LYS  46  -8.551  -3.049  -3.998
  263   1HZ   LYS  46          1HZ       LYS  46  -6.769  -6.038  -9.850
  264   2HZ   LYS  46          3HZ       LYS  46  -5.639  -4.779  -9.686
  265   3HZ   LYS  46          2HZ       LYS  46  -5.158  -6.392  -9.466
  266    H    GLU  47           H        GLU  47 -11.799  -4.047  -5.042
  267    HA   GLU  47           HA       GLU  47 -12.806  -1.501  -5.519
  268    H    ASP  48           H        ASP  48 -12.947  -3.428  -2.527
  269    HA   ASP  48           HA       ASP  48 -14.432  -1.534  -1.050
  270    H    ILE  49           H        ILE  49 -10.932  -2.118  -1.269
  271    HA   ILE  49           HA       ILE  49 -10.120  -0.118   0.504
  272    HB   ILE  49           HB       ILE  49  -8.715  -1.315  -1.877
  273   1HG2  ILE  49          3HG2      ILE  49  -7.963   1.016  -0.259
  274   2HG2  ILE  49          1HG2      ILE  49  -6.711  -0.217  -0.401
  275   3HG2  ILE  49          2HG2      ILE  49  -7.401   0.509  -1.852
  276   1HD1  ILE  49          3HD1      ILE  49  -6.295  -1.947  -0.474
  277   2HD1  ILE  49          1HD1      ILE  49  -6.658  -3.156   0.758
  278   3HD1  ILE  49          2HD1      ILE  49  -7.124  -3.438  -0.920
  279    H    GLU  50           H        GLU  50 -10.367   0.051  -3.057
  280    HA   GLU  50           HA       GLU  50  -9.640   2.749  -3.249
  281    H    TYR  51           H        TYR  51 -12.842   1.270  -2.896
  282    HA   TYR  51           HA       TYR  51 -14.339   3.600  -3.383
  283    HD1  TYR  51          1HD       TYR  51 -16.801   1.325  -0.298
  284    HD2  TYR  51          2HD       TYR  51 -16.693   3.827  -3.735
  285    HE1  TYR  51          1HE       TYR  51 -18.957   2.304   0.356
  286    HE2  TYR  51          2HE       TYR  51 -18.854   4.815  -3.090
  287    HH   TYR  51           HH       TYR  51 -20.958   3.556  -1.220
  288    H    TYR  52           H        TYR  52 -13.317   2.116  -0.326
  289    HA   TYR  52           HA       TYR  52 -14.365   4.234   1.252
  290    HD1  TYR  52          1HD       TYR  52 -15.217   3.227   3.978
  291    HD2  TYR  52          2HD       TYR  52 -14.233   0.376   0.981
  292    HE1  TYR  52          1HE       TYR  52 -17.294   2.010   4.466
  293    HE2  TYR  52          2HE       TYR  52 -16.310  -0.848   1.459
  294    HH   TYR  52           HH       TYR  52 -18.389   0.033   4.157
  295    H    ALA  53           H        ALA  53 -11.128   3.488   0.017
  296    HA   ALA  53           HA       ALA  53  -9.732   5.439   1.473
  297   1HB   ALA  53          2HB       ALA  53  -8.257   4.038   0.454
  298   2HB   ALA  53          1HB       ALA  53  -8.230   5.362  -0.712
  299   3HB   ALA  53          3HB       ALA  53  -9.209   3.929  -1.027
  300    H    ARG  54           H        ARG  54 -11.299   5.617  -1.710
  301    HA   ARG  54           HA       ARG  54 -10.599   8.257  -2.328
  302    HE   ARG  54           HE       ARG  54 -13.059   8.092  -5.816
  303   1HH1  ARG  54          2HH1      ARG  54 -12.989   5.047  -7.540
  304   2HH1  ARG  54          1HH1      ARG  54 -14.240   5.496  -8.661
  305   1HH2  ARG  54          2HH2      ARG  54 -14.691   8.712  -7.301
  306   2HH2  ARG  54          1HH2      ARG  54 -15.214   7.588  -8.524
  307    H    LEU  55           H        LEU  55 -13.222   6.969  -0.360
  308    HA   LEU  55           HA       LEU  55 -14.676   9.371  -0.015
  309    HG   LEU  55           HG       LEU  55 -15.302   6.275  -0.236
  310   1HD1  LEU  55          2HD1      LEU  55 -16.649   6.207   2.331
  311   2HD1  LEU  55          3HD1      LEU  55 -17.754   5.932   0.983
  312   3HD1  LEU  55          1HD1      LEU  55 -16.334   4.906   1.182
  313   1HD2  LEU  55          2HD2      LEU  55 -17.209   8.544   0.216
  314   2HD2  LEU  55          3HD2      LEU  55 -16.273   8.154  -1.227
  315   3HD2  LEU  55          1HD2      LEU  55 -17.650   7.149  -0.770
  316    H    SER  56           H        SER  56 -12.139   7.830   1.917
  317    HA   SER  56           HA       SER  56 -11.975  10.034   3.757
  318    HG   SER  56           HG       SER  56 -11.521   6.539   4.494
  319    H    GLY  57           H        GLY  57 -10.986   9.796   0.654
  320   1HA   GLY  57          2HA       GLY  57  -9.234  12.033   0.812
  321   2HA   GLY  57          1HA       GLY  57  -9.577  11.082  -0.626
  322    H    ILE  58           H        ILE  58  -8.737   8.577   0.450
  323    HA   ILE  58           HA       ILE  58  -5.861   8.998   0.894
  324    HB   ILE  58           HB       ILE  58  -7.485   6.468   1.246
  325   1HG2  ILE  58          2HG2      ILE  58  -4.588   7.097   1.474
  326   2HG2  ILE  58          3HG2      ILE  58  -5.288   5.940   2.607
  327   3HG2  ILE  58          1HG2      ILE  58  -5.390   5.646   0.869
  328   1HD1  ILE  58          1HD1      ILE  58  -7.344   5.616   3.503
  329   2HD1  ILE  58          2HD1      ILE  58  -6.485   6.578   4.706
  330   3HD1  ILE  58          3HD1      ILE  58  -8.234   6.739   4.532
  331    HA   PRO  59           HA       PRO  59  -5.453   7.947  -3.435
  332    H    VAL  60           H        VAL  60  -5.384   6.016  -4.400
  333    HA   VAL  60           HA       VAL  60  -4.097   3.781  -2.982
  334    HB   VAL  60           HB       VAL  60  -6.134   3.677  -5.219
  335   1HG1  VAL  60          1HG1      VAL  60  -4.812   1.521  -3.587
  336   2HG1  VAL  60          2HG1      VAL  60  -6.286   1.263  -4.523
  337   3HG1  VAL  60          3HG1      VAL  60  -4.793   1.726  -5.339
  338   1HG2  VAL  60          2HG2      VAL  60  -6.863   4.514  -2.897
  339   2HG2  VAL  60          3HG2      VAL  60  -7.789   3.214  -3.647
  340   3HG2  VAL  60          1HG2      VAL  60  -6.618   2.844  -2.381
  341    H    TYR  61           H        TYR  61  -2.212   3.110  -3.726
  342    HA   TYR  61           HA       TYR  61  -1.470   3.690  -6.512
  343    HD1  TYR  61          1HD       TYR  61   0.788   4.666  -7.462
  344    HD2  TYR  61          2HD       TYR  61   2.036   1.726  -4.646
  345    HE1  TYR  61          1HE       TYR  61   2.634   4.032  -8.949
  346    HE2  TYR  61          2HE       TYR  61   3.895   1.098  -6.125
  347    HH   TYR  61           HH       TYR  61   4.060   1.601  -9.166
  348    H    GLU  62           H        GLU  62  -1.217   2.024  -7.886
  349    HA   GLU  62           HA       GLU  62  -1.676  -0.664  -6.871
  350    H    PHE  63           H        PHE  63  -0.170  -2.140  -6.588
  351    HA   PHE  63           HA       PHE  63   2.592  -1.509  -6.837
  352    HD1  PHE  63          1HD       PHE  63   4.252  -2.054  -5.480
  353    HD2  PHE  63          2HD       PHE  63   2.781  -5.961  -6.300
  354    HE1  PHE  63          1HE       PHE  63   6.528  -2.966  -5.235
  355    HE2  PHE  63          2HE       PHE  63   5.047  -6.870  -6.058
  356    HZ   PHE  63           HZ       PHE  63   6.956  -5.290  -5.512
  357    H    GLU  64           H        GLU  64   3.893  -1.799  -8.523
  358    HA   GLU  64           HA       GLU  64   2.868  -2.923 -10.966
  359    H    GLY  65           H        GLY  65   2.598  -5.003  -9.541
  360   1HA   GLY  65          2HA       GLY  65   4.873  -6.584  -8.978
  361   2HA   GLY  65          1HA       GLY  65   4.252  -6.997 -10.571
  362    H    THR  66           H        THR  66   4.368  -8.676  -8.230
  363    HA   THR  66           HA       THR  66   1.490  -9.231  -7.925
  364    HB   THR  66           HB       THR  66   2.167 -11.600  -7.580
  365    HG1  THR  66          1HG       THR  66   4.535 -11.734  -8.629
  366   1HG2  THR  66          2HG2      THR  66   1.886 -10.244  -9.948
  367   2HG2  THR  66          1HG2      THR  66   3.428 -11.069 -10.171
  368   3HG2  THR  66          3HG2      THR  66   1.979 -11.997  -9.786
  369    H    SER  67           H        SER  67   1.017 -10.583  -5.949
  370    HA   SER  67           HA       SER  67   1.776  -9.252  -3.585
  371    HG   SER  67           HG       SER  67  -0.104 -12.844  -3.682
  372    H    VAL  68           H        VAL  68   2.970 -12.093  -5.228
  373    HA   VAL  68           HA       VAL  68   4.608 -13.125  -3.173
  374    HB   VAL  68           HB       VAL  68   4.952 -13.314  -6.174
  375   1HG1  VAL  68          2HG1      VAL  68   6.394 -14.577  -3.895
  376   2HG1  VAL  68          3HG1      VAL  68   6.149 -15.502  -5.376
  377   3HG1  VAL  68          1HG1      VAL  68   7.019 -13.969  -5.426
  378   1HG2  VAL  68          3HG2      VAL  68   3.564 -15.093  -4.181
  379   2HG2  VAL  68          1HG2      VAL  68   2.849 -14.243  -5.550
  380   3HG2  VAL  68          2HG2      VAL  68   3.959 -15.585  -5.828
  381    H    GLU  69           H        GLU  69   5.269 -10.943  -5.883
  382    HA   GLU  69           HA       GLU  69   7.967 -10.445  -5.306
  383    H    LEU  70           H        LEU  70   5.006  -8.785  -4.293
  384    HA   LEU  70           HA       LEU  70   6.304  -6.687  -2.909
  385    HG   LEU  70           HG       LEU  70   4.129  -6.022  -0.796
  386   1HD1  LEU  70          2HD1      LEU  70   5.313  -4.786  -3.170
  387   2HD1  LEU  70          3HD1      LEU  70   4.351  -3.678  -2.192
  388   3HD1  LEU  70          1HD1      LEU  70   5.689  -4.562  -1.462
  389   1HD2  LEU  70          2HD2      LEU  70   1.936  -6.030  -2.510
  390   2HD2  LEU  70          3HD2      LEU  70   2.068  -5.206  -0.956
  391   3HD2  LEU  70          1HD2      LEU  70   2.454  -4.345  -2.446
  392    H    GLY  71           H        GLY  71   4.963  -9.794  -1.816
  393   1HA   GLY  71          2HA       GLY  71   5.384 -11.035   0.071
  394   2HA   GLY  71          1HA       GLY  71   5.456  -9.502   0.930
  395    H    THR  72           H        THR  72   7.528 -10.776  -1.646
  396    HA   THR  72           HA       THR  72   9.745 -11.380   0.017
  397    HB   THR  72           HB       THR  72   9.765 -10.702  -2.934
  398    HG1  THR  72          1HG       THR  72   9.306 -12.822  -3.299
  399   1HG2  THR  72          2HG2      THR  72  11.905 -11.081  -1.240
  400   2HG2  THR  72          1HG2      THR  72  11.653 -12.688  -1.923
  401   3HG2  THR  72          3HG2      THR  72  11.927 -11.309  -2.988
  402    H    LEU  73           H        LEU  73   8.691  -8.506  -1.709
  403    HA   LEU  73           HA       LEU  73  10.989  -6.922  -1.487
  404    HG   LEU  73           HG       LEU  73   8.975  -4.193  -2.969
  405   1HD1  LEU  73          3HD1      LEU  73   9.717  -4.224  -0.289
  406   2HD1  LEU  73          1HD1      LEU  73  11.165  -3.730  -1.164
  407   3HD1  LEU  73          2HD1      LEU  73   9.660  -2.829  -1.366
  408   1HD2  LEU  73          2HD2      LEU  73  10.781  -6.001  -3.690
  409   2HD2  LEU  73          3HD2      LEU  73  10.977  -4.281  -4.024
  410   3HD2  LEU  73          1HD2      LEU  73  11.799  -5.011  -2.642
  411    H    LEU  74           H        LEU  74   8.204  -7.264   0.690
  412    HA   LEU  74           HA       LEU  74   9.214  -5.507   2.695
  413    HG   LEU  74           HG       LEU  74   7.041  -4.627   3.307
  414   1HD1  LEU  74          1HD1      LEU  74   5.980  -6.223   1.001
  415   2HD1  LEU  74          2HD1      LEU  74   5.356  -4.623   1.402
  416   3HD1  LEU  74          3HD1      LEU  74   7.056  -4.826   0.977
  417   1HD2  LEU  74          2HD2      LEU  74   5.069  -6.776   3.828
  418   2HD2  LEU  74          3HD2      LEU  74   5.412  -5.303   4.734
  419   3HD2  LEU  74          1HD2      LEU  74   4.453  -5.226   3.256
  420    H    GLY  75           H        GLY  75   9.524  -8.913   2.015
  421   1HA   GLY  75          2HA       GLY  75  11.671  -9.159   3.955
  422   2HA   GLY  75          1HA       GLY  75  11.135 -10.395   2.822
  423    H    ARG  76           H        ARG  76   8.385 -10.229   3.472
  424    HA   ARG  76           HA       ARG  76   8.315 -11.142   6.268
  425    HE   ARG  76           HE       ARG  76   8.359  -8.411   7.412
  426   1HH1  ARG  76          2HH1      ARG  76   4.927  -8.195   8.100
  427   2HH1  ARG  76          1HH1      ARG  76   4.859  -6.480   7.831
  428   1HH2  ARG  76          2HH2      ARG  76   8.264  -6.165   7.079
  429   2HH2  ARG  76          1HH2      ARG  76   6.742  -5.337   7.232
  430    HA   PRO  77           HA       PRO  77   8.075 -15.238   4.672
  431    H    HIS  78           H        HIS  78   5.807 -13.618   3.996
  432    HA   HIS  78           HA       HIS  78   4.133 -15.626   3.057
  433    HD1  HIS  78          1HD       HIS  78   0.981 -12.890   4.637
  434    HD2  HIS  78          2HD       HIS  78   4.179 -13.777   7.151
  435    HE1  HIS  78          1HE       HIS  78   0.995 -11.085   6.387
  436    HE2  HIS  78          2HE       HIS  78   2.816 -11.749   7.999
  437    H    THR  79           H        THR  79   2.919 -14.897   1.381
  438    HA   THR  79           HA       THR  79   3.748 -12.478   0.250
  439    HB   THR  79           HB       THR  79   1.972 -12.969  -1.485
  440    HG1  THR  79          1HG       THR  79   0.829 -14.320   0.348
  441   1HG2  THR  79          3HG2      THR  79   4.417 -14.159  -0.992
  442   2HG2  THR  79          2HG2      THR  79   3.342 -15.530  -1.274
  443   3HG2  THR  79          1HG2      THR  79   3.495 -14.263  -2.493
  444    H    VAL  80           H        VAL  80   3.026 -10.463   0.396
  445    HA   VAL  80           HA       VAL  80   0.538  -9.967   1.842
  446    HB   VAL  80           HB       VAL  80   2.537  -8.795   2.637
  447   1HG1  VAL  80          2HG1      VAL  80   3.141  -8.465  -0.043
  448   2HG1  VAL  80          3HG1      VAL  80   2.757  -6.841   0.527
  449   3HG1  VAL  80          1HG1      VAL  80   4.013  -7.784   1.331
  450   1HG2  VAL  80          2HG2      VAL  80   0.054  -7.574   1.914
  451   2HG2  VAL  80          3HG2      VAL  80   1.077  -7.272   3.320
  452   3HG2  VAL  80          1HG2      VAL  80   1.350  -6.381   1.822
  453    H    SER  81           H        SER  81  -1.251  -9.319   0.860
  454    HA   SER  81           HA       SER  81  -1.259  -9.066  -2.007
  455    HG   SER  81           HG       SER  81  -3.250  -9.239  -2.875
  456    H    ALA  82           H        ALA  82  -1.761  -6.985   0.767
  457    HA   ALA  82           HA       ALA  82  -1.386  -4.626  -0.840
  458   1HB   ALA  82          2HB       ALA  82  -3.926  -5.356  -0.823
  459   2HB   ALA  82          3HB       ALA  82  -3.899  -4.580   0.761
  460   3HB   ALA  82          1HB       ALA  82  -3.461  -3.659  -0.680
  461    H    LEU  83           H        LEU  83  -0.969  -2.763   0.450
  462    HA   LEU  83           HA       LEU  83  -0.816  -3.199   3.330
  463    HG   LEU  83           HG       LEU  83   1.281  -2.562   0.404
  464   1HD1  LEU  83          1HD1      LEU  83   1.386  -0.374   1.642
  465   2HD1  LEU  83          2HD1      LEU  83   3.042  -0.793   2.081
  466   3HD1  LEU  83          3HD1      LEU  83   2.602  -0.600   0.383
  467   1HD2  LEU  83          2HD2      LEU  83   3.340  -3.825   1.996
  468   2HD2  LEU  83          3HD2      LEU  83   3.029  -3.928   0.263
  469   3HD2  LEU  83          1HD2      LEU  83   4.003  -2.607   0.907
  470    H    ALA  84           H        ALA  84  -1.122  -1.421   4.528
  471    HA   ALA  84           HA       ALA  84  -1.899   0.988   3.079
  472   1HB   ALA  84          2HB       ALA  84  -3.037  -0.347   5.202
  473   2HB   ALA  84          3HB       ALA  84  -2.267   1.044   5.963
  474   3HB   ALA  84          1HB       ALA  84  -3.437   1.283   4.667
  475    H    VAL  85           H        VAL  85  -0.508   2.561   2.843
  476    HA   VAL  85           HA       VAL  85   1.833   2.823   4.544
  477    HB   VAL  85           HB       VAL  85   0.916   4.585   2.256
  478   1HG1  VAL  85          3HG1      VAL  85   2.559   5.489   4.016
  479   2HG1  VAL  85          1HG1      VAL  85   3.717   4.368   3.299
  480   3HG1  VAL  85          2HG1      VAL  85   2.991   5.638   2.312
  481   1HG2  VAL  85          2HG2      VAL  85   1.732   1.983   2.054
  482   2HG2  VAL  85          3HG2      VAL  85   1.856   3.196   0.778
  483   3HG2  VAL  85          1HG2      VAL  85   3.240   2.871   1.824
  484    H    VAL  86           H        VAL  86   0.862   3.336   6.528
  485    HA   VAL  86           HA       VAL  86  -1.093   5.303   6.925
  486    HB   VAL  86           HB       VAL  86   1.050   4.454   8.885
  487   1HG1  VAL  86          1HG1      VAL  86  -0.183   6.518   9.481
  488   2HG1  VAL  86          2HG1      VAL  86  -1.688   5.602   9.406
  489   3HG1  VAL  86          3HG1      VAL  86  -0.463   5.188  10.607
  490   1HG2  VAL  86          2HG2      VAL  86  -0.203   2.546   7.967
  491   2HG2  VAL  86          3HG2      VAL  86  -0.540   2.802   9.680
  492   3HG2  VAL  86          1HG2      VAL  86  -1.711   3.315   8.466
  493    H    ASP  87           H        ASP  87   2.432   5.453   7.025
  494    HA   ASP  87           HA       ASP  87   2.402   8.145   6.097
  495    HA   PRO  88           HA       PRO  88   5.949   6.239   4.291
  496    H    GLY  89           H        GLY  89   6.275   9.219   6.155
  497   1HA   GLY  89          2HA       GLY  89   8.664   8.245   7.446
  498   2HA   GLY  89          1HA       GLY  89   7.891   9.803   7.708
  499    H    GLU  90           H        GLU  90  10.670   8.519   6.785
  500    HA   GLU  90           HA       GLU  90  11.535  10.881   5.419
  501    H    SER  91           H        SER  91  10.327   7.815   4.449
  502    HA   SER  91           HA       SER  91  11.543   7.620   1.907
  503    HG   SER  91           HG       SER  91  10.460   6.066   0.557
  504    H    ARG  92           H        ARG  92  10.876   8.209  -0.100
  505    HA   ARG  92           HA       ARG  92   8.741  10.238  -0.194
  506    HE   ARG  92           HE       ARG  92  13.136  12.090  -1.801
  507   1HH1  ARG  92          2HH1      ARG  92  14.047   8.755  -2.403
  508   2HH1  ARG  92          1HH1      ARG  92  15.358   8.777  -1.259
  509   1HH2  ARG  92          2HH2      ARG  92  14.847  12.122  -0.303
  510   2HH2  ARG  92          1HH2      ARG  92  15.811  10.694  -0.057
  511    H    ILE  93           H        ILE  93   7.919   7.632  -0.091
  512    HA   ILE  93           HA       ILE  93   7.588   6.371  -2.587
  513    HB   ILE  93           HB       ILE  93   7.284   5.212  -0.427
  514   1HG2  ILE  93          3HG2      ILE  93   5.468   7.315   0.092
  515   2HG2  ILE  93          1HG2      ILE  93   4.561   5.803   0.112
  516   3HG2  ILE  93          2HG2      ILE  93   5.965   6.001   1.160
  517   1HD1  ILE  93          2HD1      ILE  93   7.530   4.355  -2.746
  518   2HD1  ILE  93          3HD1      ILE  93   6.657   2.865  -2.390
  519   3HD1  ILE  93          1HD1      ILE  93   6.103   3.922  -3.690
  520    H    LEU  94           H        LEU  94   5.878   8.964  -1.035
  521    HA   LEU  94           HA       LEU  94   3.472   8.870  -2.496
  522    HG   LEU  94           HG       LEU  94   4.085   9.426   0.420
  523   1HD1  LEU  94          1HD1      LEU  94   3.935  12.032   0.735
  524   2HD1  LEU  94          2HD1      LEU  94   2.203  11.701   0.763
  525   3HD1  LEU  94          3HD1      LEU  94   3.268  10.925   1.936
  526   1HD2  LEU  94          2HD2      LEU  94   2.143   8.812  -1.189
  527   2HD2  LEU  94          3HD2      LEU  94   1.891   8.708   0.554
  528   3HD2  LEU  94          1HD2      LEU  94   1.273  10.094  -0.344
  529    H    ALA  95           H        ALA  95   6.627   9.883  -3.386
  530    HA   ALA  95           HA       ALA  95   6.053  11.837  -5.294
  531   1HB   ALA  95          1HB       ALA  95   8.296  11.588  -4.592
  532   2HB   ALA  95          2HB       ALA  95   8.337   9.892  -5.079
  533   3HB   ALA  95          3HB       ALA  95   8.260  11.161  -6.303
  534    H    LEU  96           H        LEU  96   6.277   8.301  -5.649
  535    HA   LEU  96           HA       LEU  96   5.250   8.608  -8.389
  536    HG   LEU  96           HG       LEU  96   5.608   5.296  -6.827
  537   1HD1  LEU  96          2HD1      LEU  96   7.412   4.794  -8.861
  538   2HD1  LEU  96          3HD1      LEU  96   8.305   4.412  -7.388
  539   3HD1  LEU  96          1HD1      LEU  96   6.761   3.624  -7.715
  540   1HD2  LEU  96          1HD2      LEU  96   7.418   7.075  -5.713
  541   2HD2  LEU  96          2HD2      LEU  96   6.762   5.626  -4.953
  542   3HD2  LEU  96          3HD2      LEU  96   8.306   5.553  -5.805
  543    H    GLY  97           H        GLY  97   3.883   8.458  -5.626
  544   1HA   GLY  97          2HA       GLY  97   2.339   6.211  -5.322
  545   2HA   GLY  97          1HA       GLY  97   1.572   7.112  -6.623
  546    H    GLY  98           H        GLY  98   0.149   8.616  -6.082
  547   1HA   GLY  98          2HA       GLY  98   0.462  10.388  -3.919
  548   2HA   GLY  98          1HA       GLY  98  -0.656   9.115  -3.445
  549    H    LYS  99           H        LYS  99  -0.428  12.115  -4.766
  550    HA   LYS  99           HA       LYS  99  -3.170  12.291  -5.430
  551   1HZ   LYS  99          1HZ       LYS  99   0.863  17.988  -5.076
  552   2HZ   LYS  99          3HZ       LYS  99  -0.807  18.228  -4.907
  553   3HZ   LYS  99          2HZ       LYS  99   0.147  17.921  -3.540
  554    H    GLU 100           H        GLU 100  -4.233  12.206  -7.355
  555    HA   GLU 100           HA       GLU 100  -4.710  11.577  -9.479

  No H/Q in entry =         555
  Start of MODEL    6
    1    H1   GLY  -2          1H        GLY  -2  12.121  12.694  -9.583
    2    H2   GLY  -2          3H        GLY  -2  10.871  12.878 -10.712
    3    H3   GLY  -2          2H        GLY  -2  10.507  12.581  -9.085
    4   1HA   GLY  -2          1HA       GLY  -2  11.448  10.743 -11.157
    5   2HA   GLY  -2          2HA       GLY  -2  10.210  10.501  -9.933
    6    H    SER  -1           H        SER  -1  13.004   9.314 -10.853
    7    HA   SER  -1           HA       SER  -1  14.608   8.037  -9.900
    8    HG   SER  -1           HG       SER  -1  15.725  11.344  -9.049
    9    H    VAL   1           H        VAL   1  12.095   7.117  -9.519
   10    HA   VAL   1           HA       VAL   1  11.612   6.468  -6.752
   11    HB   VAL   1           HB       VAL   1   9.690   6.723  -8.188
   12   1HG1  VAL   1          2HG1      VAL   1  11.252   5.223 -10.047
   13   2HG1  VAL   1          3HG1      VAL   1   9.705   4.412  -9.799
   14   3HG1  VAL   1          1HG1      VAL   1   9.743   6.100 -10.312
   15   1HG2  VAL   1          3HG2      VAL   1  10.245   4.247  -6.776
   16   2HG2  VAL   1          1HG2      VAL   1   8.805   5.264  -6.754
   17   3HG2  VAL   1          2HG2      VAL   1   9.012   4.054  -8.021
   18    H    ASP   2           H        ASP   2  11.960   4.559  -5.720
   19    HA   ASP   2           HA       ASP   2  13.425   2.476  -7.216
   20    H    PHE   3           H        PHE   3  11.218   3.344  -4.673
   21    HA   PHE   3           HA       PHE   3   9.409   2.354  -3.779
   22    HD1  PHE   3          1HD       PHE   3   8.723  -1.705  -4.740
   23    HD2  PHE   3          2HD       PHE   3   6.930   2.152  -4.603
   24    HE1  PHE   3          1HE       PHE   3   6.690  -2.688  -3.770
   25    HE2  PHE   3          2HE       PHE   3   4.892   1.173  -3.637
   26    HZ   PHE   3           HZ       PHE   3   4.770  -1.251  -3.219
   27    H    ALA   4           H        ALA   4  11.802  -0.214  -4.497
   28    HA   ALA   4           HA       ALA   4  11.043  -1.797  -2.297
   29   1HB   ALA   4          3HB       ALA   4  12.327  -2.512  -4.357
   30   2HB   ALA   4          2HB       ALA   4  12.866  -3.187  -2.820
   31   3HB   ALA   4          1HB       ALA   4  13.764  -1.864  -3.565
   32    H    PHE   5           H        PHE   5  13.851   0.370  -2.701
   33    HA   PHE   5           HA       PHE   5  14.827   0.150  -0.053
   34    HD1  PHE   5          1HD       PHE   5  16.871   0.942   0.832
   35    HD2  PHE   5          2HD       PHE   5  15.765   4.450  -1.309
   36    HE1  PHE   5          1HE       PHE   5  18.097   2.319   2.463
   37    HE2  PHE   5          2HE       PHE   5  16.985   5.832   0.317
   38    HZ   PHE   5           HZ       PHE   5  18.194   4.793   2.152
   39    H    GLU   6           H        GLU   6  12.451   2.190  -1.594
   40    HA   GLU   6           HA       GLU   6  12.009   3.953   0.550
   41    H    LEU   7           H        LEU   7  10.455   0.866  -0.345
   42    HA   LEU   7           HA       LEU   7   8.500   0.930   1.709
   43    HG   LEU   7           HG       LEU   7   8.060  -0.269  -1.142
   44   1HD1  LEU   7          1HD1      LEU   7   7.103  -2.756   0.248
   45   2HD1  LEU   7          2HD1      LEU   7   6.234  -2.033  -1.108
   46   3HD1  LEU   7          3HD1      LEU   7   7.888  -2.608  -1.327
   47   1HD2  LEU   7          3HD2      LEU   7   6.826   0.185   1.444
   48   2HD2  LEU   7          1HD2      LEU   7   6.595   1.039  -0.083
   49   3HD2  LEU   7          2HD2      LEU   7   5.675  -0.429   0.255
   50    H    ARG   8           H        ARG   8  11.805  -0.329   1.581
   51    HA   ARG   8           HA       ARG   8  11.860  -1.519   4.118
   52    HE   ARG   8           HE       ARG   8  13.885  -4.574   1.239
   53   1HH1  ARG   8          2HH1      ARG   8  12.594  -5.406   4.393
   54   2HH1  ARG   8          1HH1      ARG   8  12.599  -7.116   4.071
   55   1HH2  ARG   8          2HH2      ARG   8  13.892  -6.811   0.832
   56   2HH2  ARG   8          1HH2      ARG   8  13.334  -7.912   2.049
   57    H    LYS   9           H        LYS   9  12.830   1.758   3.128
   58    HA   LYS   9           HA       LYS   9  13.470   2.654   5.728
   59   1HZ   LYS   9          3HZ       LYS   9  17.368   3.843   7.016
   60   2HZ   LYS   9          2HZ       LYS   9  18.814   3.761   6.131
   61   3HZ   LYS   9          1HZ       LYS   9  18.029   5.250   6.336
   62    H    ALA  10           H        ALA  10  10.474   2.723   3.877
   63    HA   ALA  10           HA       ALA  10   9.048   4.428   5.624
   64   1HB   ALA  10          2HB       ALA  10   8.228   2.448   3.535
   65   2HB   ALA  10          3HB       ALA  10   7.025   3.231   4.559
   66   3HB   ALA  10          1HB       ALA  10   8.074   4.206   3.530
   67    H    GLN  11           H        GLN  11   9.483   0.932   5.493
   68    HA   GLN  11           HA       GLN  11   7.666   0.368   7.612
   69   1HE2  GLN  11          1HE2      GLN  11   6.597  -3.921   7.344
   70   2HE2  GLN  11          2HE2      GLN  11   7.461  -5.225   6.600
   71    H    ASP  12           H        ASP  12  11.154   0.820   7.392
   72    HA   ASP  12           HA       ASP  12  11.683   0.193  10.115
   73    H    THR  13           H        THR  13  11.601   3.297   8.367
   74    HA   THR  13           HA       THR  13  11.932   4.699  10.890
   75    HB   THR  13           HB       THR  13  11.792   5.872   8.113
   76    HG1  THR  13          1HG       THR  13  13.663   4.266   9.203
   77   1HG2  THR  13          3HG2      THR  13  12.111   6.980  10.753
   78   2HG2  THR  13          2HG2      THR  13  13.543   7.298   9.773
   79   3HG2  THR  13          1HG2      THR  13  11.953   7.809   9.205
   80    H    GLY  14           H        GLY  14   9.640   4.715   8.161
   81   1HA   GLY  14          2HA       GLY  14   7.591   5.775   7.958
   82   2HA   GLY  14          1HA       GLY  14   7.883   6.572   9.496
   83    H    LYS  15           H        LYS  15   5.635   4.902   8.180
   84    HA   LYS  15           HA       LYS  15   5.310   2.841  10.234
   85   1HZ   LYS  15          2HZ       LYS  15   5.315   7.400  12.471
   86   2HZ   LYS  15          1HZ       LYS  15   3.972   8.434  12.562
   87   3HZ   LYS  15          3HZ       LYS  15   4.939   8.174  13.931
   88    H    ILE  16           H        ILE  16   4.924   1.039   9.136
   89    HA   ILE  16           HA       ILE  16   3.135   1.173   6.792
   90    HB   ILE  16           HB       ILE  16   5.536  -0.622   7.188
   91   1HG2  ILE  16          2HG2      ILE  16   3.722  -1.891   6.190
   92   2HG2  ILE  16          3HG2      ILE  16   3.500  -0.641   4.965
   93   3HG2  ILE  16          1HG2      ILE  16   4.989  -1.587   5.002
   94   1HD1  ILE  16          3HD1      ILE  16   4.171   1.065   4.177
   95   2HD1  ILE  16          1HD1      ILE  16   4.085   2.375   5.351
   96   3HD1  ILE  16          2HD1      ILE  16   5.377   2.350   4.153
   97    H    VAL  17           H        VAL  17   1.373  -0.044   6.916
   98    HA   VAL  17           HA       VAL  17   1.288  -2.197   8.935
   99    HB   VAL  17           HB       VAL  17  -1.052  -0.519   8.003
  100   1HG1  VAL  17          1HG1      VAL  17  -0.772  -2.876   9.732
  101   2HG1  VAL  17          2HG1      VAL  17  -1.769  -1.580  10.392
  102   3HG1  VAL  17          3HG1      VAL  17  -2.167  -2.289   8.827
  103   1HG2  VAL  17          1HG2      VAL  17   0.586  -0.291  10.521
  104   2HG2  VAL  17          2HG2      VAL  17   0.439   0.907   9.236
  105   3HG2  VAL  17          3HG2      VAL  17  -0.953   0.522  10.246
  106    H    MET  18           H        MET  18   0.441  -4.161   8.285
  107    HA   MET  18           HA       MET  18   0.207  -4.675   5.468
  108   1HE   MET  18          2HE       MET  18   0.919  -8.916   5.099
  109   2HE   MET  18          3HE       MET  18   0.742 -10.324   6.146
  110   3HE   MET  18          1HE       MET  18  -0.448  -9.024   6.209
  111    H    GLY  19           H        GLY  19  -1.551  -4.492   4.236
  112   1HA   GLY  19          2HA       GLY  19  -3.521  -3.260   3.886
  113   2HA   GLY  19          1HA       GLY  19  -3.948  -3.501   5.573
  114    H    ALA  20           H        ALA  20  -4.439  -4.460   2.429
  115    HA   ALA  20           HA       ALA  20  -5.837  -5.909   1.449
  116   1HB   ALA  20          2HB       ALA  20  -5.865  -8.242   2.180
  117   2HB   ALA  20          1HB       ALA  20  -5.003  -7.791   3.652
  118   3HB   ALA  20          3HB       ALA  20  -4.221  -7.611   2.081
  119    H    ARG  21           H        ARG  21  -6.838  -7.782   4.066
  120    HA   ARG  21           HA       ARG  21  -9.464  -6.685   4.031
  121    HE   ARG  21           HE       ARG  21  -6.832 -10.308   8.042
  122   1HH1  ARG  21          2HH1      ARG  21  -8.443 -12.890   6.306
  123   2HH1  ARG  21          1HH1      ARG  21  -7.842 -14.139   7.351
  124   1HH2  ARG  21          2HH2      ARG  21  -6.020 -11.961   9.410
  125   2HH2  ARG  21          1HH2      ARG  21  -6.426 -13.621   9.080
  126    H    LYS  22           H        LYS  22  -6.667  -6.275   6.112
  127    HA   LYS  22           HA       LYS  22  -8.093  -4.834   8.154
  128   1HZ   LYS  22          1HZ       LYS  22  -2.626  -7.214  11.029
  129   2HZ   LYS  22          3HZ       LYS  22  -1.545  -7.117   9.728
  130   3HZ   LYS  22          2HZ       LYS  22  -2.037  -5.709  10.535
  131    H    SER  23           H        SER  23  -6.623  -4.096   5.135
  132    HA   SER  23           HA       SER  23  -6.097  -1.358   5.467
  133    HG   SER  23           HG       SER  23  -6.575  -0.378   2.908
  134    H    ILE  24           H        ILE  24  -9.039  -3.113   4.905
  135    HA   ILE  24           HA       ILE  24 -10.646  -1.097   3.822
  136    HB   ILE  24           HB       ILE  24 -11.627  -3.166   5.786
  137   1HG2  ILE  24          1HG2      ILE  24 -12.885  -1.353   3.826
  138   2HG2  ILE  24          2HG2      ILE  24 -13.550  -2.983   3.934
  139   3HG2  ILE  24          3HG2      ILE  24 -13.489  -1.959   5.369
  140   1HD1  ILE  24          3HD1      ILE  24 -10.330  -2.669   2.319
  141   2HD1  ILE  24          1HD1      ILE  24 -10.704  -4.311   1.789
  142   3HD1  ILE  24          2HD1      ILE  24 -12.003  -3.131   1.992
  143    H    GLN  25           H        GLN  25  -9.910  -1.918   7.188
  144    HA   GLN  25           HA       GLN  25 -11.590  -0.016   8.417
  145   1HE2  GLN  25          1HE2      GLN  25 -11.068  -0.892  13.043
  146   2HE2  GLN  25          2HE2      GLN  25  -9.644  -1.496  13.818
  147    H    TYR  26           H        TYR  26  -8.149   0.115   7.534
  148    HA   TYR  26           HA       TYR  26  -7.654   2.694   8.502
  149    HD1  TYR  26          1HD       TYR  26  -6.724  -0.046   9.119
  150    HD2  TYR  26          2HD       TYR  26  -3.845   2.832   7.880
  151    HE1  TYR  26          1HE       TYR  26  -5.316  -0.633  11.044
  152    HE2  TYR  26          2HE       TYR  26  -2.428   2.252   9.806
  153    HH   TYR  26           HH       TYR  26  -2.345   1.142  11.773
  154    H    ALA  27           H        ALA  27  -8.640   1.611   5.277
  155    HA   ALA  27           HA       ALA  27  -8.575   4.187   4.079
  156   1HB   ALA  27          3HB       ALA  27 -10.219   1.802   3.242
  157   2HB   ALA  27          2HB       ALA  27  -8.524   2.052   2.818
  158   3HB   ALA  27          1HB       ALA  27  -9.753   3.179   2.240
  159    H    LYS  28           H        LYS  28 -11.059   2.290   5.670
  160    HA   LYS  28           HA       LYS  28 -13.278   3.911   5.103
  161   1HZ   LYS  28          3HZ       LYS  28 -16.872   2.437   9.093
  162   2HZ   LYS  28          2HZ       LYS  28 -17.412   3.277   7.722
  163   3HZ   LYS  28          1HZ       LYS  28 -18.443   2.183   8.505
  164    H    MET  29           H        MET  29 -11.141   3.818   7.939
  165    HA   MET  29           HA       MET  29 -12.407   6.015   9.238
  166   1HE   MET  29          2HE       MET  29 -12.569   2.540  12.590
  167   2HE   MET  29          3HE       MET  29 -11.295   1.392  12.998
  168   3HE   MET  29          1HE       MET  29 -11.689   2.707  14.107
  169    H    GLY  30           H        GLY  30  -9.599   5.680   7.153
  170   1HA   GLY  30          2HA       GLY  30  -9.537   8.589   6.807
  171   2HA   GLY  30          1HA       GLY  30  -8.737   7.403   5.781
  172    H    GLY  31           H        GLY  31  -7.479   5.898   7.793
  173   1HA   GLY  31          2HA       GLY  31  -5.849   6.032   9.486
  174   2HA   GLY  31          1HA       GLY  31  -5.823   7.780   9.295
  175    H    ALA  32           H        ALA  32  -5.478   5.350   6.757
  176    HA   ALA  32           HA       ALA  32  -2.634   5.504   6.662
  177   1HB   ALA  32          3HB       ALA  32  -4.744   4.055   5.274
  178   2HB   ALA  32          1HB       ALA  32  -3.389   4.486   4.231
  179   3HB   ALA  32          2HB       ALA  32  -3.108   3.550   5.699
  180    H    LYS  33           H        LYS  33  -1.305   6.680   5.367
  181    HA   LYS  33           HA       LYS  33  -2.381   9.041   4.116
  182   1HZ   LYS  33          2HZ       LYS  33  -2.282  13.033   3.781
  183   2HZ   LYS  33          1HZ       LYS  33  -2.034  13.246   2.119
  184   3HZ   LYS  33          3HZ       LYS  33  -3.455  12.511   2.674
  185    H    LEU  34           H        LEU  34  -0.726   6.099   3.045
  186    HA   LEU  34           HA       LEU  34  -1.938   6.438   0.404
  187    HG   LEU  34           HG       LEU  34   0.235   4.556  -0.986
  188   1HD1  LEU  34          3HD1      LEU  34  -1.564   6.283  -1.623
  189   2HD1  LEU  34          1HD1      LEU  34  -0.260   7.094  -2.490
  190   3HD1  LEU  34          2HD1      LEU  34  -0.705   5.441  -2.913
  191   1HD2  LEU  34          2HD2      LEU  34   2.117   6.852  -1.391
  192   2HD2  LEU  34          3HD2      LEU  34   2.482   5.156  -1.080
  193   3HD2  LEU  34          1HD2      LEU  34   1.854   5.647  -2.651
  194    H    ILE  35           H        ILE  35  -2.812   4.553  -0.286
  195    HA   ILE  35           HA       ILE  35  -1.935   2.109   1.116
  196    HB   ILE  35           HB       ILE  35  -4.607   2.666  -0.185
  197   1HG2  ILE  35          2HG2      ILE  35  -3.284   0.180   0.621
  198   2HG2  ILE  35          3HG2      ILE  35  -4.906   0.381   1.284
  199   3HG2  ILE  35          1HG2      ILE  35  -4.654   0.437  -0.461
  200   1HD1  ILE  35          2HD1      ILE  35  -6.415   2.168   1.416
  201   2HD1  ILE  35          3HD1      ILE  35  -5.903   1.615   3.010
  202   3HD1  ILE  35          1HD1      ILE  35  -6.318   3.310   2.756
  203    H    ILE  36           H        ILE  36  -0.859   0.675  -0.043
  204    HA   ILE  36           HA       ILE  36  -0.902   0.936  -2.972
  205    HB   ILE  36           HB       ILE  36   1.128  -0.473  -1.225
  206   1HG2  ILE  36          1HG2      ILE  36   0.699  -1.103  -3.751
  207   2HG2  ILE  36          2HG2      ILE  36   1.660   0.348  -4.038
  208   3HG2  ILE  36          3HG2      ILE  36   2.335  -0.987  -3.103
  209   1HD1  ILE  36          3HD1      ILE  36   3.280   0.560  -1.112
  210   2HD1  ILE  36          1HD1      ILE  36   3.529   1.595  -2.517
  211   3HD1  ILE  36          2HD1      ILE  36   3.314   2.313  -0.922
  212    H    VAL  37           H        VAL  37  -1.701  -0.664  -4.210
  213    HA   VAL  37           HA       VAL  37  -2.346  -3.220  -2.885
  214    HB   VAL  37           HB       VAL  37  -4.298  -3.419  -4.416
  215   1HG1  VAL  37          2HG1      VAL  37  -4.014  -1.544  -2.212
  216   2HG1  VAL  37          3HG1      VAL  37  -5.355  -1.136  -3.284
  217   3HG1  VAL  37          1HG1      VAL  37  -5.278  -2.730  -2.534
  218   1HG2  VAL  37          2HG2      VAL  37  -3.187  -1.542  -5.949
  219   2HG2  VAL  37          3HG2      VAL  37  -4.923  -1.844  -5.930
  220   3HG2  VAL  37          1HG2      VAL  37  -4.250  -0.512  -4.991
  221    H    ALA  38           H        ALA  38  -1.778  -5.058  -3.895
  222    HA   ALA  38           HA       ALA  38   0.087  -4.964  -6.069
  223   1HB   ALA  38          1HB       ALA  38  -0.605  -7.586  -5.868
  224   2HB   ALA  38          3HB       ALA  38  -1.016  -6.992  -4.259
  225   3HB   ALA  38          2HB       ALA  38   0.624  -6.792  -4.881
  226    H    ARG  39           H        ARG  39  -0.203  -5.582  -8.202
  227    HA   ARG  39           HA       ARG  39  -2.726  -5.074  -9.340
  228    HE   ARG  39           HE       ARG  39  -0.701  -2.171 -12.475
  229   1HH1  ARG  39          2HH1      ARG  39   1.972  -4.069 -13.735
  230   2HH1  ARG  39          1HH1      ARG  39   2.613  -2.761 -14.690
  231   1HH2  ARG  39          2HH2      ARG  39   0.127  -0.472 -13.736
  232   2HH2  ARG  39          1HH2      ARG  39   1.555  -0.713 -14.698
  233    H    ASN  40           H        ASN  40  -0.953  -8.158  -9.018
  234    HA   ASN  40           HA       ASN  40  -3.295  -9.646  -9.844
  235   1HD2  ASN  40          1HD2      ASN  40  -0.879 -12.837  -8.453
  236   2HD2  ASN  40          2HD2      ASN  40  -1.931 -13.917  -9.310
  237    H    ALA  41           H        ALA  41  -3.592  -8.087  -7.445
  238    HA   ALA  41           HA       ALA  41  -3.790 -10.076  -5.313
  239   1HB   ALA  41          1HB       ALA  41  -3.688  -7.188  -5.417
  240   2HB   ALA  41          2HB       ALA  41  -5.045  -7.755  -4.445
  241   3HB   ALA  41          3HB       ALA  41  -3.406  -8.276  -4.059
  242    H    ARG  42           H        ARG  42  -5.914 -10.289  -4.195
  243    HA   ARG  42           HA       ARG  42  -7.902 -11.089  -5.999
  244    HE   ARG  42           HE       ARG  42  -7.814 -12.993  -6.715
  245   1HH1  ARG  42          2HH1      ARG  42  -5.467 -13.929  -4.275
  246   2HH1  ARG  42          1HH1      ARG  42  -4.105 -13.668  -5.322
  247   1HH2  ARG  42          2HH2      ARG  42  -6.028 -12.633  -8.064
  248   2HH2  ARG  42          1HH2      ARG  42  -4.420 -12.892  -7.459
  249    HA   PRO  43           HA       PRO  43  -9.736  -7.282  -7.241
  250    H    ASP  44           H        ASP  44 -11.648  -9.417  -5.141
  251    HA   ASP  44           HA       ASP  44 -13.485  -7.527  -4.238
  252    H    ILE  45           H        ILE  45 -10.228  -8.218  -3.148
  253    HA   ILE  45           HA       ILE  45 -10.369  -6.523  -0.839
  254    HB   ILE  45           HB       ILE  45  -8.051  -7.779  -2.306
  255   1HG2  ILE  45          3HG2      ILE  45  -7.884  -5.482  -0.737
  256   2HG2  ILE  45          1HG2      ILE  45  -7.366  -6.800   0.317
  257   3HG2  ILE  45          2HG2      ILE  45  -6.559  -6.538  -1.229
  258   1HD1  ILE  45          3HD1      ILE  45  -9.817  -7.259   0.780
  259   2HD1  ILE  45          1HD1      ILE  45 -10.220  -8.952   1.063
  260   3HD1  ILE  45          2HD1      ILE  45  -8.673  -8.311   1.613
  261    H    LYS  46           H        LYS  46  -8.791  -6.250  -4.022
  262    HA   LYS  46           HA       LYS  46  -7.771  -3.680  -3.732
  263   1HZ   LYS  46          1HZ       LYS  46  -6.597  -5.695  -9.710
  264   2HZ   LYS  46          3HZ       LYS  46  -5.611  -4.340  -9.981
  265   3HZ   LYS  46          2HZ       LYS  46  -4.939  -5.780  -9.388
  266    H    GLU  47           H        GLU  47 -10.856  -4.669  -5.190
  267    HA   GLU  47           HA       GLU  47 -11.677  -2.140  -5.999
  268    H    ASP  48           H        ASP  48 -12.372  -3.866  -2.980
  269    HA   ASP  48           HA       ASP  48 -14.142  -1.900  -1.987
  270    H    ILE  49           H        ILE  49 -10.681  -2.480  -1.488
  271    HA   ILE  49           HA       ILE  49 -10.221  -0.514   0.453
  272    HB   ILE  49           HB       ILE  49  -8.385  -1.579  -1.695
  273   1HG2  ILE  49          3HG2      ILE  49  -8.007   0.589   0.247
  274   2HG2  ILE  49          1HG2      ILE  49  -6.726  -0.624   0.228
  275   3HG2  ILE  49          2HG2      ILE  49  -7.146   0.240  -1.252
  276   1HD1  ILE  49          2HD1      ILE  49  -6.762  -3.210  -0.873
  277   2HD1  ILE  49          3HD1      ILE  49  -6.320  -2.532   0.692
  278   3HD1  ILE  49          1HD1      ILE  49  -7.100  -4.111   0.604
  279    H    GLU  50           H        GLU  50  -9.906  -0.290  -3.098
  280    HA   GLU  50           HA       GLU  50  -9.207   2.428  -3.145
  281    H    TYR  51           H        TYR  51 -12.335   0.836  -3.112
  282    HA   TYR  51           HA       TYR  51 -13.937   3.069  -3.742
  283    HD1  TYR  51          1HD       TYR  51 -16.605   0.630  -0.939
  284    HD2  TYR  51          2HD       TYR  51 -16.135   3.222  -4.280
  285    HE1  TYR  51          1HE       TYR  51 -18.881   1.487  -0.586
  286    HE2  TYR  51          2HE       TYR  51 -18.408   4.090  -3.933
  287    HH   TYR  51           HH       TYR  51 -20.687   2.595  -2.137
  288    H    TYR  52           H        TYR  52 -13.005   1.689  -0.609
  289    HA   TYR  52           HA       TYR  52 -14.269   3.707   0.925
  290    HD1  TYR  52          1HD       TYR  52 -14.153   1.701   4.268
  291    HD2  TYR  52          2HD       TYR  52 -14.560   0.813   0.135
  292    HE1  TYR  52          1HE       TYR  52 -16.076   0.268   4.774
  293    HE2  TYR  52          2HE       TYR  52 -16.492  -0.627   0.632
  294    HH   TYR  52           HH       TYR  52 -17.722  -0.945   3.950
  295    H    ALA  53           H        ALA  53 -10.928   3.244  -0.140
  296    HA   ALA  53           HA       ALA  53  -9.803   5.336   1.338
  297   1HB   ALA  53          1HB       ALA  53  -8.052   4.227   0.525
  298   2HB   ALA  53          3HB       ALA  53  -8.251   5.209  -0.927
  299   3HB   ALA  53          2HB       ALA  53  -8.974   3.603  -0.843
  300    H    ARG  54           H        ARG  54 -11.007   5.331  -2.023
  301    HA   ARG  54           HA       ARG  54 -10.296   7.978  -2.580
  302    HE   ARG  54           HE       ARG  54 -12.911   5.310  -5.107
  303   1HH1  ARG  54          2HH1      ARG  54 -11.263   4.379  -8.057
  304   2HH1  ARG  54          1HH1      ARG  54 -12.633   3.518  -8.695
  305   1HH2  ARG  54          2HH2      ARG  54 -14.701   4.204  -5.930
  306   2HH2  ARG  54          1HH2      ARG  54 -14.594   3.394  -7.468
  307    H    LEU  55           H        LEU  55 -13.327   6.690  -1.223
  308    HA   LEU  55           HA       LEU  55 -14.689   9.167  -1.365
  309    HG   LEU  55           HG       LEU  55 -14.339   6.091   0.716
  310   1HD1  LEU  55          3HD1      LEU  55 -15.098   8.037   2.253
  311   2HD1  LEU  55          1HD1      LEU  55 -16.556   7.067   2.471
  312   3HD1  LEU  55          2HD1      LEU  55 -14.983   6.406   2.918
  313   1HD2  LEU  55          3HD2      LEU  55 -17.322   5.697   0.566
  314   2HD2  LEU  55          1HD2      LEU  55 -16.084   4.827  -0.339
  315   3HD2  LEU  55          2HD2      LEU  55 -16.214   4.614   1.405
  316    H    SER  56           H        SER  56 -12.588   7.746   1.062
  317    HA   SER  56           HA       SER  56 -13.056   9.805   3.010
  318    HG   SER  56           HG       SER  56 -12.041   6.469   3.881
  319    H    GLY  57           H        GLY  57 -10.739   9.198   0.447
  320   1HA   GLY  57          2HA       GLY  57  -9.659  11.915   0.857
  321   2HA   GLY  57          1HA       GLY  57  -9.761  11.113  -0.705
  322    H    ILE  58           H        ILE  58  -8.874   8.562   0.303
  323    HA   ILE  58           HA       ILE  58  -6.073   9.122   1.002
  324    HB   ILE  58           HB       ILE  58  -7.611   6.521   1.141
  325   1HG2  ILE  58          1HG2      ILE  58  -4.795   7.072   1.119
  326   2HG2  ILE  58          2HG2      ILE  58  -5.265   6.378   2.672
  327   3HG2  ILE  58          3HG2      ILE  58  -5.627   5.519   1.175
  328   1HD1  ILE  58          1HD1      ILE  58  -7.121   5.607   3.481
  329   2HD1  ILE  58          2HD1      ILE  58  -7.047   6.734   4.837
  330   3HD1  ILE  58          3HD1      ILE  58  -8.598   6.363   4.084
  331    HA   PRO  59           HA       PRO  59  -5.206   8.182  -3.292
  332    H    VAL  60           H        VAL  60  -4.961   6.274  -4.310
  333    HA   VAL  60           HA       VAL  60  -3.808   4.042  -2.770
  334    HB   VAL  60           HB       VAL  60  -5.856   3.881  -4.993
  335   1HG1  VAL  60          1HG1      VAL  60  -4.147   1.967  -4.590
  336   2HG1  VAL  60          2HG1      VAL  60  -5.128   1.635  -3.162
  337   3HG1  VAL  60          3HG1      VAL  60  -5.859   1.580  -4.766
  338   1HG2  VAL  60          1HG2      VAL  60  -6.438   4.754  -2.557
  339   2HG2  VAL  60          2HG2      VAL  60  -7.524   3.693  -3.456
  340   3HG2  VAL  60          3HG2      VAL  60  -6.459   3.022  -2.219
  341    H    TYR  61           H        TYR  61  -2.012   3.152  -3.574
  342    HA   TYR  61           HA       TYR  61  -1.173   3.976  -6.260
  343    HD1  TYR  61          1HD       TYR  61   0.738   4.456  -7.339
  344    HD2  TYR  61          2HD       TYR  61   2.482   1.870  -4.444
  345    HE1  TYR  61          1HE       TYR  61   2.607   4.001  -8.875
  346    HE2  TYR  61          2HE       TYR  61   4.345   1.407  -5.973
  347    HH   TYR  61           HH       TYR  61   5.376   2.041  -7.859
  348    H    GLU  62           H        GLU  62  -1.257   2.599  -7.853
  349    HA   GLU  62           HA       GLU  62  -1.877  -0.185  -7.451
  350    H    PHE  63           H        PHE  63  -0.330  -1.557  -6.841
  351    HA   PHE  63           HA       PHE  63   2.456  -1.010  -7.225
  352    HD1  PHE  63          1HD       PHE  63   4.301  -1.757  -6.592
  353    HD2  PHE  63          2HD       PHE  63   2.282  -5.384  -5.656
  354    HE1  PHE  63          1HE       PHE  63   6.459  -2.932  -6.500
  355    HE2  PHE  63          2HE       PHE  63   4.438  -6.560  -5.561
  356    HZ   PHE  63           HZ       PHE  63   6.527  -5.331  -5.975
  357    H    GLU  64           H        GLU  64   3.603  -1.422  -8.961
  358    HA   GLU  64           HA       GLU  64   2.513  -2.882 -11.187
  359    H    GLY  65           H        GLY  65   2.534  -4.615  -9.180
  360   1HA   GLY  65          2HA       GLY  65   4.731  -6.087  -8.522
  361   2HA   GLY  65          1HA       GLY  65   4.271  -6.697 -10.106
  362    H    THR  66           H        THR  66   3.942  -8.687  -8.987
  363    HA   THR  66           HA       THR  66   1.204  -9.136  -8.351
  364    HB   THR  66           HB       THR  66   2.067 -11.495  -7.847
  365    HG1  THR  66          1HG       THR  66   4.445 -10.368  -8.970
  366   1HG2  THR  66          1HG2      THR  66   1.138 -10.635 -10.058
  367   2HG2  THR  66          3HG2      THR  66   2.815 -10.499 -10.586
  368   3HG2  THR  66          2HG2      THR  66   2.158 -12.070 -10.134
  369    H    SER  67           H        SER  67   0.524 -10.343  -6.387
  370    HA   SER  67           HA       SER  67   1.176  -8.946  -4.034
  371    HG   SER  67           HG       SER  67  -1.302 -12.108  -4.522
  372    H    VAL  68           H        VAL  68   2.448 -11.834  -5.489
  373    HA   VAL  68           HA       VAL  68   3.835 -12.892  -3.256
  374    HB   VAL  68           HB       VAL  68   4.686 -13.107  -6.147
  375   1HG1  VAL  68          1HG1      VAL  68   6.225 -13.882  -4.291
  376   2HG1  VAL  68          2HG1      VAL  68   5.022 -15.125  -3.944
  377   3HG1  VAL  68          3HG1      VAL  68   5.815 -15.080  -5.520
  378   1HG2  VAL  68          1HG2      VAL  68   2.532 -14.554  -4.649
  379   2HG2  VAL  68          2HG2      VAL  68   2.457 -13.792  -6.234
  380   3HG2  VAL  68          3HG2      VAL  68   3.353 -15.294  -6.022
  381    H    GLU  69           H        GLU  69   4.824 -10.735  -5.906
  382    HA   GLU  69           HA       GLU  69   7.469 -10.342  -5.032
  383    H    LEU  70           H        LEU  70   4.472  -8.603  -4.353
  384    HA   LEU  70           HA       LEU  70   5.629  -6.494  -2.879
  385    HG   LEU  70           HG       LEU  70   3.471  -6.030  -0.785
  386   1HD1  LEU  70          3HD1      LEU  70   4.179  -4.477  -3.207
  387   2HD1  LEU  70          1HD1      LEU  70   3.419  -3.615  -1.870
  388   3HD1  LEU  70          2HD1      LEU  70   4.927  -4.492  -1.611
  389   1HD2  LEU  70          1HD2      LEU  70   1.386  -5.271  -2.821
  390   2HD2  LEU  70          2HD2      LEU  70   1.168  -6.294  -1.400
  391   3HD2  LEU  70          3HD2      LEU  70   1.503  -4.573  -1.205
  392    H    GLY  71           H        GLY  71   4.401  -9.668  -1.922
  393   1HA   GLY  71          2HA       GLY  71   4.678 -10.905  -0.012
  394   2HA   GLY  71          1HA       GLY  71   4.759  -9.381   0.857
  395    H    THR  72           H        THR  72   6.882 -10.880  -1.581
  396    HA   THR  72           HA       THR  72   8.935 -11.510   0.254
  397    HB   THR  72           HB       THR  72   8.649 -12.529  -2.025
  398    HG1  THR  72          1HG       THR  72  10.637 -12.592  -0.676
  399   1HG2  THR  72          2HG2      THR  72   8.972  -9.868  -2.895
  400   2HG2  THR  72          1HG2      THR  72  10.385 -10.770  -3.446
  401   3HG2  THR  72          3HG2      THR  72   8.765 -11.317  -3.880
  402    H    LEU  73           H        LEU  73   8.165  -8.643  -1.556
  403    HA   LEU  73           HA       LEU  73  10.612  -7.249  -1.240
  404    HG   LEU  73           HG       LEU  73   9.002  -4.379  -2.927
  405   1HD1  LEU  73          3HD1      LEU  73  10.431  -4.804  -0.378
  406   2HD1  LEU  73          1HD1      LEU  73  11.238  -3.812  -1.591
  407   3HD1  LEU  73          2HD1      LEU  73   9.633  -3.366  -1.011
  408   1HD2  LEU  73          3HD2      LEU  73  10.888  -6.607  -3.104
  409   2HD2  LEU  73          1HD2      LEU  73  10.394  -5.433  -4.323
  410   3HD2  LEU  73          2HD2      LEU  73  11.641  -5.013  -3.151
  411    H    LEU  74           H        LEU  74   7.627  -7.350   0.689
  412    HA   LEU  74           HA       LEU  74   8.552  -5.608   2.728
  413    HG   LEU  74           HG       LEU  74   5.861  -5.987   1.200
  414   1HD1  LEU  74          3HD1      LEU  74   4.239  -7.021   3.016
  415   2HD1  LEU  74          1HD1      LEU  74   4.156  -5.338   3.540
  416   3HD1  LEU  74          2HD1      LEU  74   3.704  -5.771   1.892
  417   1HD2  LEU  74          1HD2      LEU  74   6.218  -4.121   3.540
  418   2HD2  LEU  74          2HD2      LEU  74   7.226  -4.192   2.094
  419   3HD2  LEU  74          3HD2      LEU  74   5.542  -3.683   1.971
  420    H    GLY  75           H        GLY  75   8.447  -9.159   2.474
  421   1HA   GLY  75          2HA       GLY  75  10.043  -9.400   4.909
  422   2HA   GLY  75          1HA       GLY  75  10.832  -9.836   3.402
  423    H    ARG  76           H        ARG  76   7.576 -10.412   4.714
  424    HA   ARG  76           HA       ARG  76   8.063 -13.146   5.231
  425    HE   ARG  76           HE       ARG  76   4.762  -9.279   7.042
  426   1HH1  ARG  76          2HH1      ARG  76   4.273 -12.680   7.710
  427   2HH1  ARG  76          1HH1      ARG  76   5.008 -12.613   9.281
  428   1HH2  ARG  76          2HH2      ARG  76   5.767  -9.187   9.094
  429   2HH2  ARG  76          1HH2      ARG  76   5.896 -10.638  10.051
  430    HA   PRO  77           HA       PRO  77   7.490 -14.889   1.213
  431    H    HIS  78           H        HIS  78   5.163 -13.748   2.135
  432    HA   HIS  78           HA       HIS  78   3.174 -15.705   1.215
  433    HD1  HIS  78          1HD       HIS  78   1.596 -17.408   2.700
  434    HD2  HIS  78          2HD       HIS  78   4.074 -15.616   5.514
  435    HE1  HIS  78          1HE       HIS  78   2.239 -19.237   4.301
  436    HE2  HIS  78          2HE       HIS  78   3.864 -18.158   5.904
  437    H    THR  79           H        THR  79   1.562 -14.870  -0.045
  438    HA   THR  79           HA       THR  79   2.142 -12.519  -1.465
  439    HB   THR  79           HB       THR  79  -0.054 -12.828  -2.537
  440    HG1  THR  79          1HG       THR  79  -0.856 -13.769  -0.320
  441   1HG2  THR  79          3HG2      THR  79   2.069 -14.378  -2.868
  442   2HG2  THR  79          2HG2      THR  79   0.962 -15.609  -2.260
  443   3HG2  THR  79          1HG2      THR  79   0.552 -14.692  -3.710
  444    H    VAL  80           H        VAL  80   1.814 -10.459  -0.930
  445    HA   VAL  80           HA       VAL  80  -0.187  -9.847   1.135
  446    HB   VAL  80           HB       VAL  80   2.103  -8.148   0.118
  447   1HG1  VAL  80          1HG1      VAL  80   0.185  -6.788   0.802
  448   2HG1  VAL  80          2HG1      VAL  80   0.158  -7.610   2.362
  449   3HG1  VAL  80          3HG1      VAL  80   1.539  -6.603   1.918
  450   1HG2  VAL  80          3HG2      VAL  80   2.087 -10.250   1.980
  451   2HG2  VAL  80          1HG2      VAL  80   3.381  -9.091   1.674
  452   3HG2  VAL  80          2HG2      VAL  80   2.180  -8.761   2.922
  453    H    SER  81           H        SER  81  -2.057  -9.108   0.460
  454    HA   SER  81           HA       SER  81  -2.538  -8.490  -2.262
  455    HG   SER  81           HG       SER  81  -4.331 -10.343  -1.355
  456    H    ALA  82           H        ALA  82  -2.237  -6.539   0.660
  457    HA   ALA  82           HA       ALA  82  -1.600  -4.185  -0.847
  458   1HB   ALA  82          2HB       ALA  82  -4.193  -4.465  -0.809
  459   2HB   ALA  82          3HB       ALA  82  -4.039  -3.900   0.854
  460   3HB   ALA  82          1HB       ALA  82  -3.477  -2.888  -0.475
  461    H    LEU  83           H        LEU  83  -0.988  -2.408   0.532
  462    HA   LEU  83           HA       LEU  83  -0.759  -3.016   3.375
  463    HG   LEU  83           HG       LEU  83   1.659  -0.830   1.620
  464   1HD1  LEU  83          2HD1      LEU  83   3.814  -2.899   2.014
  465   2HD1  LEU  83          3HD1      LEU  83   4.053  -1.357   1.191
  466   3HD1  LEU  83          1HD1      LEU  83   3.610  -1.386   2.899
  467   1HD2  LEU  83          1HD2      LEU  83   0.792  -2.542  -0.058
  468   2HD2  LEU  83          2HD2      LEU  83   2.179  -1.572  -0.552
  469   3HD2  LEU  83          3HD2      LEU  83   2.413  -3.236  -0.016
  470    H    ALA  84           H        ALA  84  -0.872  -1.257   4.672
  471    HA   ALA  84           HA       ALA  84  -1.612   1.237   3.341
  472   1HB   ALA  84          3HB       ALA  84  -2.027   0.254   6.161
  473   2HB   ALA  84          2HB       ALA  84  -3.243   0.425   4.892
  474   3HB   ALA  84          1HB       ALA  84  -2.492   1.858   5.594
  475    H    VAL  85           H        VAL  85  -0.127   2.733   3.123
  476    HA   VAL  85           HA       VAL  85   2.178   2.874   4.903
  477    HB   VAL  85           HB       VAL  85   1.460   4.652   2.559
  478   1HG1  VAL  85          3HG1      VAL  85   3.117   5.386   4.439
  479   2HG1  VAL  85          1HG1      VAL  85   4.225   4.288   3.615
  480   3HG1  VAL  85          2HG1      VAL  85   3.520   5.652   2.744
  481   1HG2  VAL  85          1HG2      VAL  85   1.911   2.113   2.169
  482   2HG2  VAL  85          2HG2      VAL  85   2.680   3.316   1.133
  483   3HG2  VAL  85          3HG2      VAL  85   3.593   2.569   2.444
  484    H    VAL  86           H        VAL  86   1.515   3.662   6.836
  485    HA   VAL  86           HA       VAL  86  -0.483   5.701   7.072
  486    HB   VAL  86           HB       VAL  86   1.453   4.713   9.176
  487   1HG1  VAL  86          2HG1      VAL  86  -0.081   6.923   9.326
  488   2HG1  VAL  86          3HG1      VAL  86  -1.220   5.711   9.911
  489   3HG1  VAL  86          1HG1      VAL  86   0.335   5.922  10.718
  490   1HG2  VAL  86          1HG2      VAL  86  -1.272   3.728   8.363
  491   2HG2  VAL  86          2HG2      VAL  86   0.241   2.823   8.414
  492   3HG2  VAL  86          3HG2      VAL  86  -0.528   3.339   9.913
  493    H    ASP  87           H        ASP  87   3.022   5.552   7.325
  494    HA   ASP  87           HA       ASP  87   3.178   8.385   6.711
  495    HA   PRO  88           HA       PRO  88   6.358   6.394   4.289
  496    H    GLY  89           H        GLY  89   6.849   9.480   5.956
  497   1HA   GLY  89          2HA       GLY  89   9.254   8.616   7.190
  498   2HA   GLY  89          1HA       GLY  89   8.620  10.256   7.194
  499    H    GLU  90           H        GLU  90  11.100   8.333   6.205
  500    HA   GLU  90           HA       GLU  90  12.410  10.403   4.764
  501    H    SER  91           H        SER  91  10.607   7.544   3.872
  502    HA   SER  91           HA       SER  91  11.467   7.369   1.190
  503    HG   SER  91           HG       SER  91  10.378   4.438   2.555
  504    H    ARG  92           H        ARG  92  10.661   8.174  -0.685
  505    HA   ARG  92           HA       ARG  92   8.600  10.255  -0.465
  506    HE   ARG  92           HE       ARG  92  11.097  12.909  -1.396
  507   1HH1  ARG  92          2HH1      ARG  92  12.317  13.434  -4.643
  508   2HH1  ARG  92          1HH1      ARG  92  13.774  14.215  -4.099
  509   1HH2  ARG  92          2HH2      ARG  92  12.965  13.927  -0.681
  510   2HH2  ARG  92          1HH2      ARG  92  14.153  14.486  -1.827
  511    H    ILE  93           H        ILE  93   7.564   7.826  -0.273
  512    HA   ILE  93           HA       ILE  93   6.945   6.582  -2.749
  513    HB   ILE  93           HB       ILE  93   6.979   5.366  -0.598
  514   1HG2  ILE  93          1HG2      ILE  93   5.876   7.181   0.721
  515   2HG2  ILE  93          2HG2      ILE  93   4.343   6.678   0.007
  516   3HG2  ILE  93          3HG2      ILE  93   5.254   5.558   1.021
  517   1HD1  ILE  93          2HD1      ILE  93   6.731   4.772  -3.182
  518   2HD1  ILE  93          3HD1      ILE  93   6.382   3.200  -2.465
  519   3HD1  ILE  93          1HD1      ILE  93   5.252   3.914  -3.615
  520    H    LEU  94           H        LEU  94   5.549   9.199  -0.957
  521    HA   LEU  94           HA       LEU  94   2.921   9.107  -1.995
  522    HG   LEU  94           HG       LEU  94   4.122   9.792   0.780
  523   1HD1  LEU  94          1HD1      LEU  94   2.765  12.427   0.778
  524   2HD1  LEU  94          2HD1      LEU  94   2.445  11.335   2.124
  525   3HD1  LEU  94          3HD1      LEU  94   4.097  11.840   1.772
  526   1HD2  LEU  94          2HD2      LEU  94   2.153   8.736  -0.299
  527   2HD2  LEU  94          3HD2      LEU  94   1.896   9.126   1.402
  528   3HD2  LEU  94          1HD2      LEU  94   1.197  10.149   0.147
  529    H    ALA  95           H        ALA  95   5.899   9.952  -3.428
  530    HA   ALA  95           HA       ALA  95   4.966  11.716  -5.455
  531   1HB   ALA  95          1HB       ALA  95   7.229  11.840  -5.393
  532   2HB   ALA  95          2HB       ALA  95   7.418  10.143  -4.951
  533   3HB   ALA  95          3HB       ALA  95   7.092  10.588  -6.628
  534    H    LEU  96           H        LEU  96   4.967   8.263  -5.027
  535    HA   LEU  96           HA       LEU  96   4.353   7.640  -7.768
  536    HG   LEU  96           HG       LEU  96   6.022   4.625  -6.473
  537   1HD1  LEU  96          3HD1      LEU  96   5.381   6.525  -8.547
  538   2HD1  LEU  96          1HD1      LEU  96   7.113   6.485  -8.219
  539   3HD1  LEU  96          2HD1      LEU  96   6.263   5.001  -8.644
  540   1HD2  LEU  96          1HD2      LEU  96   6.353   7.048  -5.068
  541   2HD2  LEU  96          2HD2      LEU  96   7.489   5.707  -5.221
  542   3HD2  LEU  96          3HD2      LEU  96   7.533   7.036  -6.380
  543    H    GLY  97           H        GLY  97   2.584   8.321  -4.854
  544   1HA   GLY  97          2HA       GLY  97   0.147   7.217  -5.159
  545   2HA   GLY  97          1HA       GLY  97   0.126   8.498  -6.363
  546    H    GLY  98           H        GLY  98  -0.854  10.238  -5.674
  547   1HA   GLY  98          2HA       GLY  98  -0.106  11.607  -3.299
  548   2HA   GLY  98          1HA       GLY  98  -1.654  10.794  -3.088
  549    H    LYS  99           H        LYS  99  -3.377  11.941  -3.597
  550    HA   LYS  99           HA       LYS  99  -3.511  13.503  -5.973
  551   1HZ   LYS  99          3HZ       LYS  99  -8.221  16.015  -4.422
  552   2HZ   LYS  99          2HZ       LYS  99  -7.717  16.701  -5.888
  553   3HZ   LYS  99          1HZ       LYS  99  -9.369  16.602  -5.523
  554    H    GLU 100           H        GLU 100  -3.120  15.580  -6.267
  555    HA   GLU 100           HA       GLU 100  -3.000  17.377  -3.949

  No H/Q in entry =         555
  Start of MODEL    7
    1    H1   GLY  -2          1H        GLY  -2  11.572   1.334 -15.083
    2    H2   GLY  -2          3H        GLY  -2  12.621   0.079 -15.529
    3    H3   GLY  -2          2H        GLY  -2  12.031   1.153 -16.704
    4   1HA   GLY  -2          1HA       GLY  -2  10.960  -1.134 -16.587
    5   2HA   GLY  -2          2HA       GLY  -2   9.898   0.267 -16.650
    6    H    SER  -1           H        SER  -1   8.187  -0.176 -15.462
    7    HA   SER  -1           HA       SER  -1   6.877  -0.576 -13.656
    8    HG   SER  -1           HG       SER  -1   6.588  -2.759 -14.466
    9    H    VAL   1           H        VAL   1   8.711   1.533 -13.534
   10    HA   VAL   1           HA       VAL   1   9.904   2.927 -12.212
   11    HB   VAL   1           HB       VAL   1   8.771   3.596 -10.108
   12   1HG1  VAL   1          2HG1      VAL   1   7.102   3.272 -12.590
   13   2HG1  VAL   1          3HG1      VAL   1   6.637   4.282 -11.221
   14   3HG1  VAL   1          1HG1      VAL   1   8.102   4.650 -12.131
   15   1HG2  VAL   1          3HG2      VAL   1   7.571   1.002 -10.333
   16   2HG2  VAL   1          1HG2      VAL   1   7.476   2.167  -9.010
   17   3HG2  VAL   1          2HG2      VAL   1   6.318   2.245 -10.339
   18    H    ASP   2           H        ASP   2   9.868   2.756  -9.190
   19    HA   ASP   2           HA       ASP   2  11.216   0.385  -8.414
   20    H    PHE   3           H        PHE   3  11.018   0.223  -6.265
   21    HA   PHE   3           HA       PHE   3  11.317   2.456  -4.507
   22    HD1  PHE   3          1HD       PHE   3   8.353  -0.152  -3.593
   23    HD2  PHE   3          2HD       PHE   3   7.737   2.387  -6.949
   24    HE1  PHE   3          1HE       PHE   3   6.685  -1.729  -4.476
   25    HE2  PHE   3          2HE       PHE   3   6.080   0.824  -7.842
   26    HZ   PHE   3           HZ       PHE   3   5.485  -1.180  -6.595
   27    H    ALA   4           H        ALA   4  12.190  -0.364  -4.871
   28    HA   ALA   4           HA       ALA   4  11.048  -1.992  -2.865
   29   1HB   ALA   4          1HB       ALA   4  12.644  -2.625  -4.793
   30   2HB   ALA   4          3HB       ALA   4  12.795  -3.476  -3.255
   31   3HB   ALA   4          2HB       ALA   4  13.928  -2.189  -3.666
   32    H    PHE   5           H        PHE   5  13.960   0.056  -2.867
   33    HA   PHE   5           HA       PHE   5  14.478  -0.395  -0.101
   34    HD1  PHE   5          1HD       PHE   5  15.665   3.375   0.095
   35    HD2  PHE   5          2HD       PHE   5  15.602   1.682  -3.806
   36    HE1  PHE   5          1HE       PHE   5  15.544   5.632  -0.880
   37    HE2  PHE   5          2HE       PHE   5  15.489   3.933  -4.787
   38    HZ   PHE   5           HZ       PHE   5  15.615   5.921  -3.311
   39    H    GLU   6           H        GLU   6  12.522   1.824  -1.890
   40    HA   GLU   6           HA       GLU   6  12.091   3.732   0.173
   41    H    LEU   7           H        LEU   7  10.423   0.760  -0.813
   42    HA   LEU   7           HA       LEU   7   8.320   0.897   1.057
   43    HG   LEU   7           HG       LEU   7   8.217  -0.086  -1.825
   44   1HD1  LEU   7          1HD1      LEU   7   8.266  -2.650  -1.831
   45   2HD1  LEU   7          2HD1      LEU   7   6.657  -2.547  -1.117
   46   3HD1  LEU   7          3HD1      LEU   7   6.966  -1.847  -2.706
   47   1HD2  LEU   7          1HD2      LEU   7   6.805   0.824   0.059
   48   2HD2  LEU   7          2HD2      LEU   7   5.924   0.343  -1.393
   49   3HD2  LEU   7          3HD2      LEU   7   5.928  -0.705   0.027
   50    H    ARG   8           H        ARG   8  11.483  -0.756   1.206
   51    HA   ARG   8           HA       ARG   8  11.051  -1.749   3.825
   52    HE   ARG   8           HE       ARG   8  15.254  -2.218   4.286
   53   1HH1  ARG   8          2HH1      ARG   8  16.451   1.064   4.530
   54   2HH1  ARG   8          1HH1      ARG   8  17.382   0.761   5.969
   55   1HH2  ARG   8          2HH2      ARG   8  16.462  -2.633   6.195
   56   2HH2  ARG   8          1HH2      ARG   8  17.374  -1.344   6.925
   57    H    LYS   9           H        LYS   9  12.334   1.240   2.597
   58    HA   LYS   9           HA       LYS   9  13.448   2.217   5.014
   59   1HZ   LYS   9          3HZ       LYS   9  16.471   6.285   3.800
   60   2HZ   LYS   9          2HZ       LYS   9  16.282   4.610   3.986
   61   3HZ   LYS   9          1HZ       LYS   9  17.335   5.214   2.806
   62    H    ALA  10           H        ALA  10  10.302   2.682   3.439
   63    HA   ALA  10           HA       ALA  10   9.155   4.365   5.374
   64   1HB   ALA  10          1HB       ALA  10   7.146   2.690   4.245
   65   2HB   ALA  10          2HB       ALA  10   7.520   4.374   3.875
   66   3HB   ALA  10          3HB       ALA  10   8.328   3.076   2.994
   67    H    GLN  11           H        GLN  11   9.292   0.855   5.089
   68    HA   GLN  11           HA       GLN  11   7.611   0.247   7.269
   69   1HE2  GLN  11          1HE2      GLN  11   6.809  -4.117   6.896
   70   2HE2  GLN  11          2HE2      GLN  11   7.800  -5.391   6.267
   71    H    ASP  12           H        ASP  12  11.108   0.759   7.049
   72    HA   ASP  12           HA       ASP  12  11.576  -0.016   9.753
   73    H    THR  13           H        THR  13  11.696   3.162   8.107
   74    HA   THR  13           HA       THR  13  12.127   4.432  10.671
   75    HB   THR  13           HB       THR  13  13.363   5.141   8.592
   76    HG1  THR  13          1HG       THR  13  11.898   7.315   9.694
   77   1HG2  THR  13          1HG2      THR  13  11.062   5.162   7.288
   78   2HG2  THR  13          3HG2      THR  13  11.046   6.839   7.836
   79   3HG2  THR  13          2HG2      THR  13  12.385   6.246   6.854
   80    H    GLY  14           H        GLY  14   9.501   4.144   8.346
   81   1HA   GLY  14          2HA       GLY  14   7.512   5.412   8.267
   82   2HA   GLY  14          1HA       GLY  14   7.936   6.130   9.812
   83    H    LYS  15           H        LYS  15   5.550   4.612   8.641
   84    HA   LYS  15           HA       LYS  15   5.316   2.375  10.496
   85   1HZ   LYS  15          1HZ       LYS  15   5.379   6.913  13.422
   86   2HZ   LYS  15          3HZ       LYS  15   4.990   7.618  11.927
   87   3HZ   LYS  15          2HZ       LYS  15   4.368   8.274  13.358
   88    H    ILE  16           H        ILE  16   4.638   0.774   9.229
   89    HA   ILE  16           HA       ILE  16   2.644   1.369   7.129
   90    HB   ILE  16           HB       ILE  16   4.824  -0.725   7.008
   91   1HG2  ILE  16          1HG2      ILE  16   2.642  -1.164   5.803
   92   2HG2  ILE  16          2HG2      ILE  16   3.056   0.202   4.763
   93   3HG2  ILE  16          3HG2      ILE  16   4.107  -1.215   4.819
   94   1HD1  ILE  16          1HD1      ILE  16   3.622   2.557   5.840
   95   2HD1  ILE  16          2HD1      ILE  16   5.175   3.109   5.216
   96   3HD1  ILE  16          3HD1      ILE  16   4.218   1.947   4.295
   97    H    VAL  17           H        VAL  17   0.779   0.314   7.389
   98    HA   VAL  17           HA       VAL  17   0.712  -2.059   9.125
   99    HB   VAL  17           HB       VAL  17  -1.609  -0.431   8.069
  100   1HG1  VAL  17          1HG1      VAL  17  -1.668  -2.986   8.994
  101   2HG1  VAL  17          2HG1      VAL  17  -1.938  -2.074  10.478
  102   3HG1  VAL  17          3HG1      VAL  17  -3.015  -1.852   9.099
  103   1HG2  VAL  17          2HG2      VAL  17  -0.049   0.769   9.650
  104   2HG2  VAL  17          3HG2      VAL  17  -1.732   0.663  10.159
  105   3HG2  VAL  17          1HG2      VAL  17  -0.528  -0.408  10.874
  106    H    MET  18           H        MET  18   0.982  -3.903   8.014
  107    HA   MET  18           HA       MET  18   0.128  -4.028   5.231
  108   1HE   MET  18          2HE       MET  18   4.069  -5.174   6.839
  109   2HE   MET  18          3HE       MET  18   5.329  -6.314   7.310
  110   3HE   MET  18          1HE       MET  18   4.847  -6.182   5.619
  111    H    GLY  19           H        GLY  19  -1.466  -5.293   4.443
  112   1HA   GLY  19          2HA       GLY  19  -3.287  -6.460   6.406
  113   2HA   GLY  19          1HA       GLY  19  -2.615  -7.554   5.203
  114    H    ALA  20           H        ALA  20  -4.211  -7.994   3.817
  115    HA   ALA  20           HA       ALA  20  -5.204  -5.979   2.079
  116   1HB   ALA  20          1HB       ALA  20  -6.350  -8.737   2.469
  117   2HB   ALA  20          2HB       ALA  20  -6.464  -7.714   1.036
  118   3HB   ALA  20          3HB       ALA  20  -4.910  -8.403   1.508
  119    H    ARG  21           H        ARG  21  -6.716  -7.862   4.681
  120    HA   ARG  21           HA       ARG  21  -9.208  -6.470   4.597
  121    HE   ARG  21           HE       ARG  21  -7.209 -10.072   6.415
  122   1HH1  ARG  21          2HH1      ARG  21  -9.513 -12.580   7.245
  123   2HH1  ARG  21          1HH1      ARG  21  -8.337 -13.550   8.076
  124   1HH2  ARG  21          2HH2      ARG  21  -5.660 -11.364   7.498
  125   2HH2  ARG  21          1HH2      ARG  21  -6.161 -12.867   8.223
  126    H    LYS  22           H        LYS  22  -6.211  -6.111   6.400
  127    HA   LYS  22           HA       LYS  22  -7.069  -4.145   8.229
  128   1HZ   LYS  22          3HZ       LYS  22  -3.842  -5.773  11.980
  129   2HZ   LYS  22          2HZ       LYS  22  -2.978  -4.781  10.914
  130   3HZ   LYS  22          1HZ       LYS  22  -3.501  -4.169  12.404
  131    H    SER  23           H        SER  23  -5.674  -3.896   4.981
  132    HA   SER  23           HA       SER  23  -5.513  -1.087   4.899
  133    HG   SER  23           HG       SER  23  -5.935  -0.497   2.427
  134    H    ILE  24           H        ILE  24  -8.097  -3.347   4.046
  135    HA   ILE  24           HA       ILE  24  -9.886  -1.509   2.892
  136    HB   ILE  24           HB       ILE  24 -10.462  -4.041   4.442
  137   1HG2  ILE  24          1HG2      ILE  24 -12.304  -2.393   2.715
  138   2HG2  ILE  24          2HG2      ILE  24 -12.678  -3.986   3.373
  139   3HG2  ILE  24          3HG2      ILE  24 -12.426  -2.620   4.458
  140   1HD1  ILE  24          1HD1      ILE  24 -11.158  -5.886   3.045
  141   2HD1  ILE  24          2HD1      ILE  24 -11.802  -5.276   1.520
  142   3HD1  ILE  24          3HD1      ILE  24 -10.251  -6.114   1.551
  143    H    GLN  25           H        GLN  25  -9.445  -2.568   6.243
  144    HA   GLN  25           HA       GLN  25 -11.566  -1.108   7.366
  145   1HE2  GLN  25          1HE2      GLN  25 -12.021  -2.880  11.485
  146   2HE2  GLN  25          2HE2      GLN  25 -13.625  -2.579  10.918
  147    H    TYR  26           H        TYR  26  -8.132  -0.295   6.979
  148    HA   TYR  26           HA       TYR  26  -8.272   2.237   8.222
  149    HD1  TYR  26          1HD       TYR  26  -7.112  -0.260   8.902
  150    HD2  TYR  26          2HD       TYR  26  -4.355   2.892   8.150
  151    HE1  TYR  26          1HE       TYR  26  -5.938  -0.796  10.997
  152    HE2  TYR  26          2HE       TYR  26  -3.172   2.360  10.235
  153    HH   TYR  26           HH       TYR  26  -3.067   1.071  12.009
  154    H    ALA  27           H        ALA  27  -8.652   1.220   4.856
  155    HA   ALA  27           HA       ALA  27  -8.841   3.825   3.754
  156   1HB   ALA  27          3HB       ALA  27  -9.558   1.084   2.828
  157   2HB   ALA  27          1HB       ALA  27 -10.158   2.479   1.932
  158   3HB   ALA  27          2HB       ALA  27  -8.423   2.246   2.140
  159    H    LYS  28           H        LYS  28 -11.219   1.535   4.974
  160    HA   LYS  28           HA       LYS  28 -13.563   2.885   4.260
  161   1HZ   LYS  28          2HZ       LYS  28 -16.850  -2.051   6.948
  162   2HZ   LYS  28          1HZ       LYS  28 -16.195  -2.921   5.648
  163   3HZ   LYS  28          3HZ       LYS  28 -15.281  -2.687   7.057
  164    H    MET  29           H        MET  29 -11.706   2.968   7.285
  165    HA   MET  29           HA       MET  29 -13.371   4.930   8.494
  166   1HE   MET  29          1HE       MET  29 -13.049   3.185  11.385
  167   2HE   MET  29          2HE       MET  29 -14.016   3.828  12.714
  168   3HE   MET  29          3HE       MET  29 -14.736   3.625  11.117
  169    H    GLY  30           H        GLY  30 -10.324   5.051   6.727
  170   1HA   GLY  30          2HA       GLY  30 -10.667   7.949   6.431
  171   2HA   GLY  30          1HA       GLY  30  -9.589   6.932   5.483
  172    H    GLY  31           H        GLY  31  -7.941   5.733   7.029
  173   1HA   GLY  31          2HA       GLY  31  -6.972   6.280   9.359
  174   2HA   GLY  31          1HA       GLY  31  -6.685   7.856   8.634
  175    H    ALA  32           H        ALA  32  -5.626   7.528   6.306
  176    HA   ALA  32           HA       ALA  32  -3.061   6.330   6.835
  177   1HB   ALA  32          2HB       ALA  32  -3.026   4.634   5.262
  178   2HB   ALA  32          1HB       ALA  32  -4.391   5.294   4.366
  179   3HB   ALA  32          3HB       ALA  32  -4.658   4.488   5.910
  180    H    LYS  33           H        LYS  33  -1.479   7.327   5.695
  181    HA   LYS  33           HA       LYS  33  -2.141   9.709   4.278
  182   1HZ   LYS  33          2HZ       LYS  33   1.795  12.885   4.632
  183   2HZ   LYS  33          1HZ       LYS  33   1.206  13.520   6.088
  184   3HZ   LYS  33          3HZ       LYS  33   1.712  11.905   6.015
  185    H    LEU  34           H        LEU  34  -0.735   6.599   3.331
  186    HA   LEU  34           HA       LEU  34  -1.736   7.011   0.612
  187    HG   LEU  34           HG       LEU  34   0.202   5.094  -0.798
  188   1HD1  LEU  34          3HD1      LEU  34  -1.196   7.184  -1.366
  189   2HD1  LEU  34          1HD1      LEU  34   0.296   7.795  -2.082
  190   3HD1  LEU  34          2HD1      LEU  34  -0.420   6.298  -2.679
  191   1HD2  LEU  34          2HD2      LEU  34   2.582   6.765  -0.541
  192   2HD2  LEU  34          3HD2      LEU  34   2.421   5.092  -1.077
  193   3HD2  LEU  34          1HD2      LEU  34   2.133   6.415  -2.209
  194    H    ILE  35           H        ILE  35  -2.308   5.054  -0.416
  195    HA   ILE  35           HA       ILE  35  -1.854   2.637   1.212
  196    HB   ILE  35           HB       ILE  35  -4.372   3.372  -0.285
  197   1HG2  ILE  35          2HG2      ILE  35  -3.286   0.826  -0.079
  198   2HG2  ILE  35          3HG2      ILE  35  -4.489   0.893   1.210
  199   3HG2  ILE  35          1HG2      ILE  35  -4.961   1.229  -0.457
  200   1HD1  ILE  35          3HD1      ILE  35  -6.094   2.036   1.759
  201   2HD1  ILE  35          1HD1      ILE  35  -6.053   3.130   3.141
  202   3HD1  ILE  35          2HD1      ILE  35  -6.412   3.756   1.531
  203    H    ILE  36           H        ILE  36  -0.926   0.984   0.183
  204    HA   ILE  36           HA       ILE  36  -0.786   1.120  -2.762
  205    HB   ILE  36           HB       ILE  36   1.288  -0.039  -0.886
  206   1HG2  ILE  36          1HG2      ILE  36   0.793  -0.442  -3.674
  207   2HG2  ILE  36          2HG2      ILE  36   2.333   0.394  -3.466
  208   3HG2  ILE  36          3HG2      ILE  36   2.051  -1.145  -2.654
  209   1HD1  ILE  36          3HD1      ILE  36   3.468   0.947  -1.242
  210   2HD1  ILE  36          1HD1      ILE  36   3.600   2.269  -2.403
  211   3HD1  ILE  36          2HD1      ILE  36   3.380   2.619  -0.687
  212    H    VAL  37           H        VAL  37  -1.651  -0.545  -3.806
  213    HA   VAL  37           HA       VAL  37  -2.008  -3.085  -2.361
  214    HB   VAL  37           HB       VAL  37  -4.212  -3.390  -3.342
  215   1HG1  VAL  37          3HG1      VAL  37  -3.575  -1.492  -1.368
  216   2HG1  VAL  37          1HG1      VAL  37  -4.883  -0.804  -2.331
  217   3HG1  VAL  37          2HG1      VAL  37  -5.083  -2.383  -1.573
  218   1HG2  VAL  37          1HG2      VAL  37  -3.431  -1.106  -4.967
  219   2HG2  VAL  37          2HG2      VAL  37  -4.644  -2.348  -5.269
  220   3HG2  VAL  37          3HG2      VAL  37  -5.048  -0.941  -4.286
  221    H    ALA  38           H        ALA  38  -1.650  -4.924  -3.554
  222    HA   ALA  38           HA       ALA  38  -0.174  -4.686  -5.983
  223   1HB   ALA  38          2HB       ALA  38  -0.836  -7.282  -5.977
  224   2HB   ALA  38          1HB       ALA  38  -1.147  -6.903  -4.282
  225   3HB   ALA  38          3HB       ALA  38   0.453  -6.617  -4.971
  226    H    ARG  39           H        ARG  39  -0.922  -4.555  -8.023
  227    HA   ARG  39           HA       ARG  39  -3.659  -4.152  -8.468
  228    HE   ARG  39           HE       ARG  39  -2.857  -4.170 -12.732
  229   1HH1  ARG  39          2HH1      ARG  39   0.151  -2.939 -14.062
  230   2HH1  ARG  39          1HH1      ARG  39  -0.623  -2.188 -15.431
  231   1HH2  ARG  39          2HH2      ARG  39  -3.853  -3.205 -14.512
  232   2HH2  ARG  39          1HH2      ARG  39  -2.906  -2.322 -15.672
  233    H    ASN  40           H        ASN  40  -1.681  -6.991  -8.663
  234    HA   ASN  40           HA       ASN  40  -3.776  -8.533  -9.973
  235   1HD2  ASN  40          1HD2      ASN  40  -4.101 -10.032 -10.618
  236   2HD2  ASN  40          2HD2      ASN  40  -3.784 -11.642 -11.172
  237    H    ALA  41           H        ALA  41  -3.882  -7.368  -7.136
  238    HA   ALA  41           HA       ALA  41  -4.028  -9.695  -5.436
  239   1HB   ALA  41          3HB       ALA  41  -3.486  -7.330  -4.661
  240   2HB   ALA  41          2HB       ALA  41  -4.643  -8.243  -3.693
  241   3HB   ALA  41          1HB       ALA  41  -5.213  -7.005  -4.812
  242    H    ARG  42           H        ARG  42  -6.107 -10.136  -4.229
  243    HA   ARG  42           HA       ARG  42  -8.064 -11.007  -6.001
  244    HE   ARG  42           HE       ARG  42  -7.964 -15.431  -4.274
  245   1HH1  ARG  42          2HH1      ARG  42  -5.826 -13.163  -5.878
  246   2HH1  ARG  42          1HH1      ARG  42  -4.430 -14.197  -5.758
  247   1HH2  ARG  42          2HH2      ARG  42  -6.149 -16.798  -4.130
  248   2HH2  ARG  42          1HH2      ARG  42  -4.618 -16.273  -4.766
  249    HA   PRO  43           HA       PRO  43 -10.235  -7.372  -7.187
  250    H    ASP  44           H        ASP  44 -11.775  -9.612  -4.910
  251    HA   ASP  44           HA       ASP  44 -13.766  -7.955  -3.878
  252    H    ILE  45           H        ILE  45 -10.398  -8.329  -2.895
  253    HA   ILE  45           HA       ILE  45 -10.463  -6.541  -0.708
  254    HB   ILE  45           HB       ILE  45  -8.136  -7.416  -2.430
  255   1HG2  ILE  45          3HG2      ILE  45  -7.962  -5.291  -0.911
  256   2HG2  ILE  45          1HG2      ILE  45  -7.817  -6.484   0.380
  257   3HG2  ILE  45          2HG2      ILE  45  -6.660  -6.480  -0.951
  258   1HD1  ILE  45          1HD1      ILE  45 -10.231  -7.948   0.577
  259   2HD1  ILE  45          2HD1      ILE  45  -9.561  -9.529   0.979
  260   3HD1  ILE  45          3HD1      ILE  45  -8.635  -8.068   1.322
  261    H    LYS  46           H        LYS  46  -9.343  -6.153  -4.057
  262    HA   LYS  46           HA       LYS  46  -8.547  -3.484  -3.837
  263   1HZ   LYS  46          3HZ       LYS  46  -6.320  -6.606  -9.329
  264   2HZ   LYS  46          2HZ       LYS  46  -7.771  -7.404  -9.693
  265   3HZ   LYS  46          1HZ       LYS  46  -7.612  -5.740 -10.001
  266    H    GLU  47           H        GLU  47 -11.672  -4.878  -4.729
  267    HA   GLU  47           HA       GLU  47 -12.917  -2.550  -5.621
  268    H    ASP  48           H        ASP  48 -12.755  -3.900  -2.333
  269    HA   ASP  48           HA       ASP  48 -14.370  -1.853  -1.186
  270    H    ILE  49           H        ILE  49 -10.847  -2.399  -1.174
  271    HA   ILE  49           HA       ILE  49 -10.147  -0.219   0.363
  272    HB   ILE  49           HB       ILE  49  -8.556  -1.487  -1.864
  273   1HG2  ILE  49          2HG2      ILE  49  -7.960   0.920  -0.891
  274   2HG2  ILE  49          3HG2      ILE  49  -7.223  -0.069   0.372
  275   3HG2  ILE  49          1HG2      ILE  49  -6.722  -0.265  -1.307
  276   1HD1  ILE  49          2HD1      ILE  49  -6.930  -3.223  -1.039
  277   2HD1  ILE  49          3HD1      ILE  49  -6.315  -2.286   0.322
  278   3HD1  ILE  49          1HD1      ILE  49  -7.089  -3.846   0.604
  279    H    GLU  50           H        GLU  50 -10.064  -0.310  -3.216
  280    HA   GLU  50           HA       GLU  50  -9.252   2.333  -3.521
  281    H    TYR  51           H        TYR  51 -12.502   1.000  -3.303
  282    HA   TYR  51           HA       TYR  51 -13.865   3.377  -4.032
  283    HD1  TYR  51          1HD       TYR  51 -16.876   0.976  -1.459
  284    HD2  TYR  51          2HD       TYR  51 -16.003   3.855  -4.462
  285    HE1  TYR  51          1HE       TYR  51 -19.076   2.013  -1.098
  286    HE2  TYR  51          2HE       TYR  51 -18.199   4.899  -4.113
  287    HH   TYR  51           HH       TYR  51 -19.937   4.747  -1.659
  288    H    TYR  52           H        TYR  52 -13.206   1.879  -0.886
  289    HA   TYR  52           HA       TYR  52 -14.393   3.886   0.683
  290    HD1  TYR  52          1HD       TYR  52 -13.085   0.116   3.062
  291    HD2  TYR  52          2HD       TYR  52 -15.531   2.278   0.337
  292    HE1  TYR  52          1HE       TYR  52 -14.839  -1.590   3.290
  293    HE2  TYR  52          2HE       TYR  52 -17.286   0.576   0.557
  294    HH   TYR  52           HH       TYR  52 -17.997  -1.103   2.294
  295    H    ALA  53           H        ALA  53 -11.021   3.357  -0.282
  296    HA   ALA  53           HA       ALA  53  -9.939   5.526   1.128
  297   1HB   ALA  53          2HB       ALA  53  -8.939   3.490  -0.436
  298   2HB   ALA  53          3HB       ALA  53  -8.524   4.951  -1.334
  299   3HB   ALA  53          1HB       ALA  53  -8.006   4.769   0.344
  300    H    ARG  54           H        ARG  54 -11.240   5.302  -2.169
  301    HA   ARG  54           HA       ARG  54 -10.471   7.857  -3.030
  302    HE   ARG  54           HE       ARG  54  -9.013   6.932  -4.903
  303   1HH1  ARG  54          2HH1      ARG  54 -10.280  10.117  -5.692
  304   2HH1  ARG  54          1HH1      ARG  54  -9.171  10.952  -4.641
  305   1HH2  ARG  54          2HH2      ARG  54  -7.570   8.029  -3.528
  306   2HH2  ARG  54          1HH2      ARG  54  -7.602   9.767  -3.445
  307    H    LEU  55           H        LEU  55 -13.360   6.751  -1.326
  308    HA   LEU  55           HA       LEU  55 -14.683   9.257  -1.275
  309    HG   LEU  55           HG       LEU  55 -15.406   6.140  -1.584
  310   1HD1  LEU  55          1HD1      LEU  55 -17.868   6.590   0.095
  311   2HD1  LEU  55          2HD1      LEU  55 -17.710   5.394  -1.191
  312   3HD1  LEU  55          3HD1      LEU  55 -16.713   5.267   0.258
  313   1HD2  LEU  55          1HD2      LEU  55 -17.278   8.493  -1.687
  314   2HD2  LEU  55          2HD2      LEU  55 -15.939   8.125  -2.770
  315   3HD2  LEU  55          3HD2      LEU  55 -17.385   7.115  -2.783
  316    H    SER  56           H        SER  56 -12.617   7.580   1.064
  317    HA   SER  56           HA       SER  56 -12.728   9.594   3.041
  318    HG   SER  56           HG       SER  56 -11.966   6.149   3.673
  319    H    GLY  57           H        GLY  57 -10.921   9.333   0.127
  320   1HA   GLY  57          2HA       GLY  57  -9.637  11.892   0.688
  321   2HA   GLY  57          1HA       GLY  57  -9.723  11.089  -0.874
  322    H    ILE  58           H        ILE  58  -8.765   8.565  -0.018
  323    HA   ILE  58           HA       ILE  58  -5.969   9.207   0.678
  324    HB   ILE  58           HB       ILE  58  -7.341   6.523   0.940
  325   1HG2  ILE  58          1HG2      ILE  58  -4.635   7.542   1.776
  326   2HG2  ILE  58          2HG2      ILE  58  -5.333   6.034   2.372
  327   3HG2  ILE  58          3HG2      ILE  58  -5.004   6.236   0.652
  328   1HD1  ILE  58          2HD1      ILE  58  -6.735   5.903   3.560
  329   2HD1  ILE  58          3HD1      ILE  58  -7.495   7.030   4.683
  330   3HD1  ILE  58          1HD1      ILE  58  -8.477   6.172   3.495
  331    HA   PRO  59           HA       PRO  59  -5.266   7.999  -3.574
  332    H    VAL  60           H        VAL  60  -5.159   6.002  -4.382
  333    HA   VAL  60           HA       VAL  60  -3.677   3.955  -2.860
  334    HB   VAL  60           HB       VAL  60  -6.031   3.569  -4.721
  335   1HG1  VAL  60          2HG1      VAL  60  -4.390   1.617  -3.122
  336   2HG1  VAL  60          3HG1      VAL  60  -5.990   1.239  -3.764
  337   3HG1  VAL  60          1HG1      VAL  60  -4.668   1.634  -4.866
  338   1HG2  VAL  60          1HG2      VAL  60  -5.785   3.687  -1.743
  339   2HG2  VAL  60          2HG2      VAL  60  -6.964   4.466  -2.799
  340   3HG2  VAL  60          3HG2      VAL  60  -7.056   2.729  -2.504
  341    H    TYR  61           H        TYR  61  -1.984   3.035  -3.827
  342    HA   TYR  61           HA       TYR  61  -1.639   3.522  -6.707
  343    HD1  TYR  61          1HD       TYR  61   0.028   4.304  -8.075
  344    HD2  TYR  61          2HD       TYR  61   2.345   1.837  -5.498
  345    HE1  TYR  61          1HE       TYR  61   1.603   3.867  -9.915
  346    HE2  TYR  61          2HE       TYR  61   3.922   1.392  -7.326
  347    HH   TYR  61           HH       TYR  61   4.403   3.087  -9.776
  348    H    GLU  62           H        GLU  62  -1.605   1.887  -8.078
  349    HA   GLU  62           HA       GLU  62  -2.002  -0.810  -7.107
  350    H    PHE  63           H        PHE  63  -0.444  -2.215  -6.800
  351    HA   PHE  63           HA       PHE  63   2.258  -1.529  -7.094
  352    HD1  PHE  63          1HD       PHE  63   3.733  -2.142  -5.116
  353    HD2  PHE  63          2HD       PHE  63   2.813  -5.788  -7.098
  354    HE1  PHE  63          1HE       PHE  63   6.042  -2.915  -4.765
  355    HE2  PHE  63          2HE       PHE  63   5.117  -6.563  -6.752
  356    HZ   PHE  63           HZ       PHE  63   6.753  -5.073  -5.600
  357    H    GLU  64           H        GLU  64   3.791  -2.035  -8.553
  358    HA   GLU  64           HA       GLU  64   3.015  -2.875 -11.183
  359    H    GLY  65           H        GLY  65   2.371  -4.989  -9.583
  360   1HA   GLY  65          2HA       GLY  65   4.451  -6.903  -9.291
  361   2HA   GLY  65          1HA       GLY  65   3.593  -7.163 -10.800
  362    H    THR  66           H        THR  66   3.813  -8.665  -8.184
  363    HA   THR  66           HA       THR  66   0.928  -9.111  -7.822
  364    HB   THR  66           HB       THR  66   1.633 -11.433  -7.126
  365    HG1  THR  66          1HG       THR  66   3.838 -11.908  -8.130
  366   1HG2  THR  66          1HG2      THR  66   2.078 -10.383  -9.901
  367   2HG2  THR  66          3HG2      THR  66   2.307 -12.093  -9.535
  368   3HG2  THR  66          2HG2      THR  66   0.735 -11.341  -9.275
  369    H    SER  67           H        SER  67   0.538 -10.354  -5.669
  370    HA   SER  67           HA       SER  67   1.200  -8.666  -3.499
  371    HG   SER  67           HG       SER  67  -1.801  -9.891  -2.997
  372    H    VAL  68           H        VAL  68   2.467 -11.751  -4.644
  373    HA   VAL  68           HA       VAL  68   4.200 -12.311  -2.491
  374    HB   VAL  68           HB       VAL  68   4.688 -13.019  -5.389
  375   1HG1  VAL  68          1HG1      VAL  68   6.188 -13.495  -3.076
  376   2HG1  VAL  68          2HG1      VAL  68   5.399 -15.023  -3.459
  377   3HG1  VAL  68          3HG1      VAL  68   6.406 -14.225  -4.665
  378   1HG2  VAL  68          1HG2      VAL  68   2.554 -13.836  -3.635
  379   2HG2  VAL  68          2HG2      VAL  68   2.810 -14.206  -5.340
  380   3HG2  VAL  68          3HG2      VAL  68   3.551 -15.215  -4.098
  381    H    GLU  69           H        GLU  69   4.707 -10.613  -5.552
  382    HA   GLU  69           HA       GLU  69   7.421  -9.990  -5.168
  383    H    LEU  70           H        LEU  70   4.455  -8.196  -4.405
  384    HA   LEU  70           HA       LEU  70   5.696  -5.862  -3.465
  385    HG   LEU  70           HG       LEU  70   3.490  -5.657  -0.925
  386   1HD1  LEU  70          1HD1      LEU  70   4.828  -4.048  -2.904
  387   2HD1  LEU  70          2HD1      LEU  70   3.630  -3.093  -2.028
  388   3HD1  LEU  70          3HD1      LEU  70   4.889  -3.950  -1.138
  389   1HD2  LEU  70          3HD2      LEU  70   1.239  -5.674  -1.904
  390   2HD2  LEU  70          1HD2      LEU  70   1.633  -4.122  -1.166
  391   3HD2  LEU  70          2HD2      LEU  70   1.683  -4.303  -2.920
  392    H    GLY  71           H        GLY  71   4.635  -8.765  -1.689
  393   1HA   GLY  71          2HA       GLY  71   5.274  -9.581   0.355
  394   2HA   GLY  71          1HA       GLY  71   5.373  -7.901   0.858
  395    H    THR  72           H        THR  72   7.285  -9.931  -1.382
  396    HA   THR  72           HA       THR  72   9.527 -10.039   0.326
  397    HB   THR  72           HB       THR  72   9.029 -11.599  -1.601
  398    HG1  THR  72          1HG       THR  72  11.016 -12.173  -1.191
  399   1HG2  THR  72          3HG2      THR  72   9.021  -9.393  -3.170
  400   2HG2  THR  72          2HG2      THR  72  10.664  -9.977  -3.426
  401   3HG2  THR  72          1HG2      THR  72   9.292 -11.031  -3.763
  402    H    LEU  73           H        LEU  73   8.563  -7.766  -2.156
  403    HA   LEU  73           HA       LEU  73  11.049  -6.373  -2.299
  404    HG   LEU  73           HG       LEU  73  10.651  -3.927  -3.382
  405   1HD1  LEU  73          1HD1      LEU  73  10.816  -6.349  -5.077
  406   2HD1  LEU  73          2HD1      LEU  73  11.382  -4.830  -5.774
  407   3HD1  LEU  73          3HD1      LEU  73  12.091  -5.431  -4.277
  408   1HD2  LEU  73          3HD2      LEU  73   8.347  -4.312  -5.195
  409   2HD2  LEU  73          1HD2      LEU  73   9.005  -2.836  -4.485
  410   3HD2  LEU  73          2HD2      LEU  73   9.785  -3.562  -5.890
  411    H    LEU  74           H        LEU  74   8.051  -5.906  -0.506
  412    HA   LEU  74           HA       LEU  74   8.589  -3.456   0.696
  413    HG   LEU  74           HG       LEU  74   7.374  -3.756   3.360
  414   1HD1  LEU  74          3HD1      LEU  74   6.804  -2.263   1.231
  415   2HD1  LEU  74          1HD1      LEU  74   5.174  -2.433   1.888
  416   3HD1  LEU  74          2HD1      LEU  74   6.461  -1.740   2.881
  417   1HD2  LEU  74          3HD2      LEU  74   4.899  -5.173   2.635
  418   2HD2  LEU  74          1HD2      LEU  74   5.724  -5.049   4.188
  419   3HD2  LEU  74          2HD2      LEU  74   4.698  -3.729   3.626
  420    H    GLY  75           H        GLY  75   9.162  -6.742   1.951
  421   1HA   GLY  75          2HA       GLY  75  10.741  -5.622   4.150
  422   2HA   GLY  75          1HA       GLY  75  11.583  -6.634   2.981
  423    H    ARG  76           H        ARG  76   8.364  -6.906   4.404
  424    HA   ARG  76           HA       ARG  76   9.063  -9.162   6.047
  425    HE   ARG  76           HE       ARG  76   7.009  -7.708   8.738
  426   1HH1  ARG  76          2HH1      ARG  76   8.824 -10.461   9.935
  427   2HH1  ARG  76          1HH1      ARG  76   9.510  -9.580  11.267
  428   1HH2  ARG  76          2HH2      ARG  76   7.877  -6.563  10.492
  429   2HH2  ARG  76          1HH2      ARG  76   8.983  -7.350  11.581
  430    HA   PRO  77           HA       PRO  77   8.528 -12.055   2.683
  431    H    HIS  78           H        HIS  78   6.166 -10.945   3.745
  432    HA   HIS  78           HA       HIS  78   4.368 -13.283   3.812
  433    HD1  HIS  78          1HD       HIS  78   2.138 -11.028   7.026
  434    HD2  HIS  78          2HD       HIS  78   5.657 -13.094   6.207
  435    HE1  HIS  78          1HE       HIS  78   2.926 -11.933   9.238
  436    HE2  HIS  78          2HE       HIS  78   4.963 -13.318   8.696
  437    H    THR  79           H        THR  79   2.731 -13.391   2.252
  438    HA   THR  79           HA       THR  79   3.275 -11.975  -0.211
  439    HB   THR  79           HB       THR  79   1.158 -13.297  -0.936
  440    HG1  THR  79          1HG       THR  79   1.808 -15.047   1.157
  441   1HG2  THR  79          1HG2      THR  79   3.895 -14.279  -0.338
  442   2HG2  THR  79          3HG2      THR  79   2.683 -15.484  -0.775
  443   3HG2  THR  79          2HG2      THR  79   3.049 -14.160  -1.881
  444    H    VAL  80           H        VAL  80   2.845  -9.934   1.119
  445    HA   VAL  80           HA       VAL  80   0.220  -9.331   1.926
  446    HB   VAL  80           HB       VAL  80   2.257  -8.246   2.845
  447   1HG1  VAL  80          3HG1      VAL  80   2.271  -6.766   0.229
  448   2HG1  VAL  80          1HG1      VAL  80   3.186  -6.285   1.657
  449   3HG1  VAL  80          2HG1      VAL  80   3.529  -7.823   0.867
  450   1HG2  VAL  80          1HG2      VAL  80  -0.185  -6.845   2.017
  451   2HG2  VAL  80          2HG2      VAL  80   0.539  -7.026   3.614
  452   3HG2  VAL  80          3HG2      VAL  80   1.154  -5.804   2.502
  453    H    SER  81           H        SER  81  -1.486  -8.666   0.857
  454    HA   SER  81           HA       SER  81  -1.286  -8.127  -1.978
  455    HG   SER  81           HG       SER  81  -3.828 -10.337  -1.498
  456    H    ALA  82           H        ALA  82  -1.815  -6.368   0.972
  457    HA   ALA  82           HA       ALA  82  -1.724  -3.839  -0.439
  458   1HB   ALA  82          3HB       ALA  82  -4.128  -4.621   1.207
  459   2HB   ALA  82          2HB       ALA  82  -4.095  -4.388  -0.542
  460   3HB   ALA  82          1HB       ALA  82  -3.816  -3.020   0.535
  461    H    LEU  83           H        LEU  83  -1.052  -2.154   0.855
  462    HA   LEU  83           HA       LEU  83  -0.817  -2.629   3.723
  463    HG   LEU  83           HG       LEU  83   1.170  -1.830   0.776
  464   1HD1  LEU  83          3HD1      LEU  83   2.529  -0.303   2.858
  465   2HD1  LEU  83          1HD1      LEU  83   3.465  -0.494   1.375
  466   3HD1  LEU  83          2HD1      LEU  83   1.855   0.224   1.315
  467   1HD2  LEU  83          1HD2      LEU  83   2.659  -3.878   1.569
  468   2HD2  LEU  83          2HD2      LEU  83   3.033  -2.926   0.134
  469   3HD2  LEU  83          3HD2      LEU  83   3.878  -2.604   1.647
  470    H    ALA  84           H        ALA  84  -1.139  -0.878   4.912
  471    HA   ALA  84           HA       ALA  84  -1.765   1.597   3.498
  472   1HB   ALA  84          3HB       ALA  84  -2.940   0.218   5.654
  473   2HB   ALA  84          1HB       ALA  84  -2.316   1.734   6.304
  474   3HB   ALA  84          2HB       ALA  84  -3.442   1.752   4.945
  475    H    VAL  85           H        VAL  85  -0.337   3.147   3.404
  476    HA   VAL  85           HA       VAL  85   1.944   3.228   5.205
  477    HB   VAL  85           HB       VAL  85   1.241   5.070   2.906
  478   1HG1  VAL  85          1HG1      VAL  85   3.626   4.848   4.695
  479   2HG1  VAL  85          2HG1      VAL  85   3.801   5.443   3.045
  480   3HG1  VAL  85          3HG1      VAL  85   2.743   6.283   4.176
  481   1HG2  VAL  85          2HG2      VAL  85   1.830   2.464   2.616
  482   2HG2  VAL  85          3HG2      VAL  85   2.295   3.701   1.448
  483   3HG2  VAL  85          1HG2      VAL  85   3.459   3.140   2.648
  484    H    VAL  86           H        VAL  86   1.237   3.914   7.164
  485    HA   VAL  86           HA       VAL  86  -0.561   6.152   7.461
  486    HB   VAL  86           HB       VAL  86   1.093   4.741   9.566
  487   1HG1  VAL  86          2HG1      VAL  86   0.292   6.987  10.203
  488   2HG1  VAL  86          3HG1      VAL  86  -1.360   6.467   9.871
  489   3HG1  VAL  86          1HG1      VAL  86  -0.440   5.706  11.168
  490   1HG2  VAL  86          2HG2      VAL  86  -1.639   4.181   8.463
  491   2HG2  VAL  86          3HG2      VAL  86  -0.290   3.069   8.699
  492   3HG2  VAL  86          1HG2      VAL  86  -1.183   3.681  10.091
  493    H    ASP  87           H        ASP  87   2.858   5.460   7.892
  494    HA   ASP  87           HA       ASP  87   3.426   8.330   7.718
  495    HA   PRO  88           HA       PRO  88   5.979   6.380   4.591
  496    H    GLY  89           H        GLY  89   6.951   8.848   6.856
  497   1HA   GLY  89          2HA       GLY  89   9.562   7.700   7.172
  498   2HA   GLY  89          1HA       GLY  89   8.954   9.151   7.961
  499    H    GLU  90           H        GLU  90  11.456   8.351   6.358
  500    HA   GLU  90           HA       GLU  90  11.754  10.908   5.050
  501    H    SER  91           H        SER  91  10.863   7.778   4.176
  502    HA   SER  91           HA       SER  91  12.009   7.395   1.695
  503    HG   SER  91           HG       SER  91   9.734   5.933   4.152
  504    H    ARG  92           H        ARG  92  11.378   7.698  -0.398
  505    HA   ARG  92           HA       ARG  92   9.477   9.866  -0.936
  506    HE   ARG  92           HE       ARG  92   9.328  11.833  -1.116
  507   1HH1  ARG  92          2HH1      ARG  92  12.692  12.391  -0.305
  508   2HH1  ARG  92          1HH1      ARG  92  12.372  12.602   1.394
  509   1HH2  ARG  92          2HH2      ARG  92   8.908  12.082   1.101
  510   2HH2  ARG  92          1HH2      ARG  92  10.212  12.444   2.195
  511    H    ILE  93           H        ILE  93   8.464   7.384   0.036
  512    HA   ILE  93           HA       ILE  93   7.588   5.724  -2.079
  513    HB   ILE  93           HB       ILE  93   7.798   5.027   0.325
  514   1HG2  ILE  93          1HG2      ILE  93   5.437   6.824   0.575
  515   2HG2  ILE  93          2HG2      ILE  93   5.520   5.375   1.580
  516   3HG2  ILE  93          3HG2      ILE  93   6.801   6.585   1.669
  517   1HD1  ILE  93          2HD1      ILE  93   7.869   3.245  -1.281
  518   2HD1  ILE  93          3HD1      ILE  93   6.404   2.319  -1.613
  519   3HD1  ILE  93          1HD1      ILE  93   6.769   3.762  -2.559
  520    H    LEU  94           H        LEU  94   6.268   8.580  -0.593
  521    HA   LEU  94           HA       LEU  94   3.605   8.278  -1.496
  522    HG   LEU  94           HG       LEU  94   2.222   9.702  -0.090
  523   1HD1  LEU  94          3HD1      LEU  94   4.417   8.303   0.995
  524   2HD1  LEU  94          1HD1      LEU  94   3.581   9.097   2.331
  525   3HD1  LEU  94          2HD1      LEU  94   2.698   8.016   1.254
  526   1HD2  LEU  94          3HD2      LEU  94   3.318  12.040   0.652
  527   2HD2  LEU  94          1HD2      LEU  94   1.916  11.323   1.444
  528   3HD2  LEU  94          2HD2      LEU  94   3.522  11.117   2.141
  529    H    ALA  95           H        ALA  95   6.411   8.980  -3.215
  530    HA   ALA  95           HA       ALA  95   5.489  10.785  -5.165
  531   1HB   ALA  95          3HB       ALA  95   7.755  10.521  -5.288
  532   2HB   ALA  95          1HB       ALA  95   7.679   8.778  -5.019
  533   3HB   ALA  95          2HB       ALA  95   7.255   9.447  -6.596
  534    H    LEU  96           H        LEU  96   4.967   7.398  -4.682
  535    HA   LEU  96           HA       LEU  96   4.144   6.673  -7.283
  536    HG   LEU  96           HG       LEU  96   5.812   5.431  -4.927
  537   1HD1  LEU  96          2HD1      LEU  96   4.271   3.470  -4.048
  538   2HD1  LEU  96          3HD1      LEU  96   4.958   2.635  -5.442
  539   3HD1  LEU  96          1HD1      LEU  96   6.020   3.286  -4.191
  540   1HD2  LEU  96          1HD2      LEU  96   5.617   5.428  -7.474
  541   2HD2  LEU  96          2HD2      LEU  96   6.866   4.411  -6.756
  542   3HD2  LEU  96          3HD2      LEU  96   5.363   3.688  -7.331
  543    H    GLY  97           H        GLY  97   2.488   8.220  -4.638
  544   1HA   GLY  97          2HA       GLY  97  -0.095   7.749  -4.755
  545   2HA   GLY  97          1HA       GLY  97   0.114   8.522  -6.322
  546    H    GLY  98           H        GLY  98   1.671  10.570  -5.993
  547   1HA   GLY  98          2HA       GLY  98   1.404  12.021  -3.579
  548   2HA   GLY  98          1HA       GLY  98   0.191  12.560  -4.733
  549    H    LYS  99           H        LYS  99   0.987  14.557  -5.172
  550    HA   LYS  99           HA       LYS  99   3.768  14.954  -5.783
  551   1HZ   LYS  99          2HZ       LYS  99  -1.116  16.748  -7.817
  552   2HZ   LYS  99          1HZ       LYS  99  -0.825  16.969  -9.472
  553   3HZ   LYS  99          3HZ       LYS  99  -2.365  16.498  -8.935
  554    H    GLU 100           H        GLU 100   4.360  17.059  -5.591
  555    HA   GLU 100           HA       GLU 100   2.607  18.795  -4.202

  No H/Q in entry =         555
  Start of MODEL    8
    1    H1   GLY  -2          1H        GLY  -2   6.953   4.266 -17.130
    2    H2   GLY  -2          3H        GLY  -2   6.215   5.362 -16.065
    3    H3   GLY  -2          2H        GLY  -2   7.127   5.938 -17.371
    4   1HA   GLY  -2          1HA       GLY  -2   8.219   6.003 -15.108
    5   2HA   GLY  -2          2HA       GLY  -2   9.139   5.309 -16.435
    6    H    SER  -1           H        SER  -1  10.371   3.832 -15.439
    7    HA   SER  -1           HA       SER  -1   9.145   1.436 -14.465
    8    HG   SER  -1           HG       SER  -1  12.901   2.629 -14.498
    9    H    VAL   1           H        VAL   1   8.865   0.777 -12.401
   10    HA   VAL   1           HA       VAL   1   9.924   2.474 -10.240
   11    HB   VAL   1           HB       VAL   1   7.700   2.227  -9.087
   12   1HG1  VAL   1          1HG1      VAL   1   8.452   3.971 -11.245
   13   2HG1  VAL   1          2HG1      VAL   1   6.703   3.757 -11.209
   14   3HG1  VAL   1          3HG1      VAL   1   7.550   4.336  -9.775
   15   1HG2  VAL   1          2HG2      VAL   1   7.154   0.406 -11.038
   16   2HG2  VAL   1          3HG2      VAL   1   5.941   1.193 -10.025
   17   3HG2  VAL   1          1HG2      VAL   1   6.299   1.831 -11.631
   18    H    ASP   2           H        ASP   2  10.015   1.498  -8.162
   19    HA   ASP   2           HA       ASP   2   9.640  -1.396  -7.986
   20    H    PHE   3           H        PHE   3  10.812   1.534  -6.460
   21    HA   PHE   3           HA       PHE   3  10.880   2.312  -4.352
   22    HD1  PHE   3          1HD       PHE   3   8.317  -0.049  -2.566
   23    HD2  PHE   3          2HD       PHE   3   6.623   1.987  -5.891
   24    HE1  PHE   3          1HE       PHE   3   6.408  -1.573  -2.512
   25    HE2  PHE   3          2HE       PHE   3   4.707   0.448  -5.852
   26    HZ   PHE   3           HZ       PHE   3   4.595  -1.331  -4.158
   27    H    ALA   4           H        ALA   4  11.949  -0.343  -4.439
   28    HA   ALA   4           HA       ALA   4  11.097  -1.842  -2.176
   29   1HB   ALA   4          1HB       ALA   4  13.679  -1.760  -3.717
   30   2HB   ALA   4          2HB       ALA   4  13.456  -2.794  -2.306
   31   3HB   ALA   4          3HB       ALA   4  12.431  -3.007  -3.725
   32    H    PHE   5           H        PHE   5  13.662   0.549  -2.682
   33    HA   PHE   5           HA       PHE   5  14.575   0.639  -0.015
   34    HD1  PHE   5          1HD       PHE   5  16.567   1.730   0.847
   35    HD2  PHE   5          2HD       PHE   5  15.006   4.871  -1.561
   36    HE1  PHE   5          1HE       PHE   5  17.512   3.386   2.400
   37    HE2  PHE   5          2HE       PHE   5  15.957   6.533  -0.015
   38    HZ   PHE   5           HZ       PHE   5  17.211   5.792   1.968
   39    H    GLU   6           H        GLU   6  12.253   2.645  -1.795
   40    HA   GLU   6           HA       GLU   6  11.610   4.439   0.211
   41    H    LEU   7           H        LEU   7   9.960   1.374  -0.566
   42    HA   LEU   7           HA       LEU   7   8.015   1.640   1.440
   43    HG   LEU   7           HG       LEU   7   7.546  -1.361   2.105
   44   1HD1  LEU   7          2HD1      LEU   7   5.966   0.748   0.777
   45   2HD1  LEU   7          3HD1      LEU   7   5.063  -0.619   1.430
   46   3HD1  LEU   7          1HD1      LEU   7   6.104   0.334   2.486
   47   1HD2  LEU   7          1HD2      LEU   7   7.531  -2.739   0.004
   48   2HD2  LEU   7          2HD2      LEU   7   6.049  -2.803   0.957
   49   3HD2  LEU   7          3HD2      LEU   7   6.115  -1.817  -0.502
   50    H    ARG   8           H        ARG   8  11.119  -0.104   1.439
   51    HA   ARG   8           HA       ARG   8  10.835  -1.162   4.042
   52    HE   ARG   8           HE       ARG   8  14.771  -2.224   0.976
   53   1HH1  ARG   8          2HH1      ARG   8  15.654  -3.819   3.956
   54   2HH1  ARG   8          1HH1      ARG   8  17.369  -3.633   3.707
   55   1HH2  ARG   8          2HH2      ARG   8  17.008  -1.979   0.620
   56   2HH2  ARG   8          1HH2      ARG   8  18.148  -2.580   1.794
   57    H    LYS   9           H        LYS   9  12.281   1.845   2.855
   58    HA   LYS   9           HA       LYS   9  13.235   2.725   5.367
   59   1HZ   LYS   9          3HZ       LYS   9  16.754   2.749   5.859
   60   2HZ   LYS   9          2HZ       LYS   9  16.788   3.494   7.381
   61   3HZ   LYS   9          1HZ       LYS   9  15.860   2.090   7.146
   62    H    ALA  10           H        ALA  10  10.168   3.099   3.688
   63    HA   ALA  10           HA       ALA  10   8.999   4.991   5.417
   64   1HB   ALA  10          2HB       ALA  10   6.853   3.603   4.526
   65   2HB   ALA  10          3HB       ALA  10   7.673   4.862   3.604
   66   3HB   ALA  10          1HB       ALA  10   8.057   3.165   3.315
   67    H    GLN  11           H        GLN  11   9.081   1.458   5.464
   68    HA   GLN  11           HA       GLN  11   7.394   1.145   7.728
   69   1HE2  GLN  11          1HE2      GLN  11   7.899  -1.281  10.525
   70   2HE2  GLN  11          2HE2      GLN  11   9.464  -1.841  11.016
   71    H    ASP  12           H        ASP  12  10.877   1.519   7.308
   72    HA   ASP  12           HA       ASP  12  11.668   1.096   9.974
   73    H    THR  13           H        THR  13  10.967   4.118   8.239
   74    HA   THR  13           HA       THR  13  11.411   5.705  10.581
   75    HB   THR  13           HB       THR  13  10.553   7.586   9.090
   76    HG1  THR  13          1HG       THR  13  10.757   5.581   7.065
   77   1HG2  THR  13          3HG2      THR  13  12.982   6.739   9.394
   78   2HG2  THR  13          2HG2      THR  13  12.784   6.086   7.768
   79   3HG2  THR  13          1HG2      THR  13  12.618   7.819   8.047
   80    H    GLY  14           H        GLY  14   8.550   4.996   8.599
   81   1HA   GLY  14          2HA       GLY  14   6.351   5.777   9.099
   82   2HA   GLY  14          1HA       GLY  14   6.853   6.017  10.767
   83    H    LYS  15           H        LYS  15   5.025   4.145   8.829
   84    HA   LYS  15           HA       LYS  15   5.543   1.565   9.961
   85   1HZ   LYS  15          2HZ       LYS  15   1.752   1.052  15.145
   86   2HZ   LYS  15          1HZ       LYS  15   3.190   1.440  15.955
   87   3HZ   LYS  15          3HZ       LYS  15   2.267   2.667  15.238
   88    H    ILE  16           H        ILE  16   4.764   0.039   8.653
   89    HA   ILE  16           HA       ILE  16   2.790   0.834   6.612
   90    HB   ILE  16           HB       ILE  16   4.875  -1.347   6.394
   91   1HG2  ILE  16          3HG2      ILE  16   2.964  -0.218   4.355
   92   2HG2  ILE  16          1HG2      ILE  16   4.225  -1.409   4.026
   93   3HG2  ILE  16          2HG2      ILE  16   2.882  -1.817   5.096
   94   1HD1  ILE  16          2HD1      ILE  16   3.894   1.524   4.306
   95   2HD1  ILE  16          3HD1      ILE  16   4.354   2.423   5.753
   96   3HD1  ILE  16          1HD1      ILE  16   5.451   2.347   4.373
   97    H    VAL  17           H        VAL  17   0.886  -0.182   6.712
   98    HA   VAL  17           HA       VAL  17   0.579  -2.447   8.526
   99    HB   VAL  17           HB       VAL  17  -1.531  -0.953   6.954
  100   1HG1  VAL  17          1HG1      VAL  17  -1.770  -2.955   9.199
  101   2HG1  VAL  17          2HG1      VAL  17  -3.104  -2.003   8.547
  102   3HG1  VAL  17          3HG1      VAL  17  -2.276  -3.179   7.525
  103   1HG2  VAL  17          3HG2      VAL  17  -0.412   0.498   8.558
  104   2HG2  VAL  17          1HG2      VAL  17  -2.060   0.146   9.077
  105   3HG2  VAL  17          2HG2      VAL  17  -0.702  -0.678   9.842
  106    H    MET  18           H        MET  18   1.080  -4.359   7.678
  107    HA   MET  18           HA       MET  18   0.664  -4.869   4.834
  108   1HE   MET  18          2HE       MET  18   3.936  -5.938   8.466
  109   2HE   MET  18          3HE       MET  18   3.737  -7.618   7.967
  110   3HE   MET  18          1HE       MET  18   5.333  -7.016   8.419
  111    H    GLY  19           H        GLY  19  -0.917  -6.156   4.024
  112   1HA   GLY  19          2HA       GLY  19  -2.884  -7.212   5.884
  113   2HA   GLY  19          1HA       GLY  19  -2.023  -8.419   4.940
  114    H    ALA  20           H        ALA  20  -4.822  -6.955   5.098
  115    HA   ALA  20           HA       ALA  20  -5.230  -5.986   2.448
  116   1HB   ALA  20          2HB       ALA  20  -6.239  -7.731   1.385
  117   2HB   ALA  20          1HB       ALA  20  -6.770  -8.487   2.888
  118   3HB   ALA  20          3HB       ALA  20  -5.089  -8.630   2.375
  119    H    ARG  21           H        ARG  21  -7.051  -7.781   4.956
  120    HA   ARG  21           HA       ARG  21  -9.329  -6.101   4.752
  121    HE   ARG  21           HE       ARG  21 -10.309  -7.659   8.896
  122   1HH1  ARG  21          2HH1      ARG  21 -10.220 -11.150   9.082
  123   2HH1  ARG  21          1HH1      ARG  21 -11.615 -11.261  10.119
  124   1HH2  ARG  21          2HH2      ARG  21 -12.124  -7.781  10.263
  125   2HH2  ARG  21          1HH2      ARG  21 -12.695  -9.332  10.806
  126    H    LYS  22           H        LYS  22  -6.466  -6.044   6.811
  127    HA   LYS  22           HA       LYS  22  -7.376  -3.970   8.524
  128   1HZ   LYS  22          1HZ       LYS  22  -4.649  -8.132  10.467
  129   2HZ   LYS  22          3HZ       LYS  22  -4.430  -8.556  12.094
  130   3HZ   LYS  22          2HZ       LYS  22  -5.940  -7.995  11.560
  131    H    SER  23           H        SER  23  -5.926  -4.027   5.365
  132    HA   SER  23           HA       SER  23  -5.300  -1.248   5.220
  133    HG   SER  23           HG       SER  23  -5.770  -0.805   2.553
  134    H    ILE  24           H        ILE  24  -8.120  -3.243   4.526
  135    HA   ILE  24           HA       ILE  24  -9.750  -1.195   3.410
  136    HB   ILE  24           HB       ILE  24 -10.640  -3.655   4.933
  137   1HG2  ILE  24          1HG2      ILE  24 -12.228  -1.642   4.357
  138   2HG2  ILE  24          2HG2      ILE  24 -12.220  -2.380   2.754
  139   3HG2  ILE  24          3HG2      ILE  24 -12.766  -3.308   4.151
  140   1HD1  ILE  24          1HD1      ILE  24 -11.382  -5.496   3.560
  141   2HD1  ILE  24          2HD1      ILE  24 -11.823  -4.894   1.961
  142   3HD1  ILE  24          3HD1      ILE  24 -10.382  -5.893   2.161
  143    H    GLN  25           H        GLN  25  -9.219  -2.425   6.669
  144    HA   GLN  25           HA       GLN  25 -11.121  -0.884   8.038
  145   1HE2  GLN  25          1HE2      GLN  25  -7.842  -0.487  11.989
  146   2HE2  GLN  25          2HE2      GLN  25  -7.612  -1.914  12.943
  147    H    TYR  26           H        TYR  26  -7.684  -0.259   7.371
  148    HA   TYR  26           HA       TYR  26  -7.631   2.305   8.570
  149    HD1  TYR  26          1HD       TYR  26  -6.285  -0.250   9.276
  150    HD2  TYR  26          2HD       TYR  26  -3.914   3.137   8.278
  151    HE1  TYR  26          1HE       TYR  26  -4.983  -0.559  11.340
  152    HE2  TYR  26          2HE       TYR  26  -2.602   2.834  10.334
  153    HH   TYR  26           HH       TYR  26  -2.734   1.816  12.470
  154    H    ALA  27           H        ALA  27  -8.497   1.175   5.371
  155    HA   ALA  27           HA       ALA  27  -8.566   3.680   4.067
  156   1HB   ALA  27          3HB       ALA  27 -10.372   1.354   3.446
  157   2HB   ALA  27          2HB       ALA  27  -8.673   1.403   2.975
  158   3HB   ALA  27          1HB       ALA  27  -9.797   2.610   2.351
  159    H    LYS  28           H        LYS  28 -10.980   1.878   5.926
  160    HA   LYS  28           HA       LYS  28 -13.123   3.705   5.591
  161   1HZ   LYS  28          2HZ       LYS  28 -13.819  -1.791   6.185
  162   2HZ   LYS  28          1HZ       LYS  28 -15.181  -2.712   6.587
  163   3HZ   LYS  28          3HZ       LYS  28 -14.944  -2.214   4.985
  164    H    MET  29           H        MET  29 -10.615   3.358   8.056
  165    HA   MET  29           HA       MET  29 -11.475   5.446   9.744
  166   1HE   MET  29          2HE       MET  29  -8.750   4.624  12.853
  167   2HE   MET  29          3HE       MET  29  -7.664   3.482  13.648
  168   3HE   MET  29          1HE       MET  29  -7.130   4.351  12.206
  169    H    GLY  30           H        GLY  30  -9.229   5.365   7.034
  170   1HA   GLY  30          2HA       GLY  30  -9.355   8.239   6.703
  171   2HA   GLY  30          1HA       GLY  30  -8.433   7.107   5.722
  172    H    GLY  31           H        GLY  31  -7.244   5.881   8.126
  173   1HA   GLY  31          2HA       GLY  31  -5.591   6.269   9.714
  174   2HA   GLY  31          1HA       GLY  31  -5.725   7.990   9.393
  175    H    ALA  32           H        ALA  32  -5.131   5.440   7.048
  176    HA   ALA  32           HA       ALA  32  -2.312   5.867   6.908
  177   1HB   ALA  32          1HB       ALA  32  -2.267   4.142   5.405
  178   2HB   ALA  32          3HB       ALA  32  -3.798   4.604   4.660
  179   3HB   ALA  32          2HB       ALA  32  -3.787   3.791   6.225
  180    H    LYS  33           H        LYS  33  -1.156   7.150   5.589
  181    HA   LYS  33           HA       LYS  33  -2.512   9.270   4.210
  182   1HZ   LYS  33          3HZ       LYS  33  -0.700  12.897   5.117
  183   2HZ   LYS  33          2HZ       LYS  33   0.332  13.836   4.156
  184   3HZ   LYS  33          1HZ       LYS  33  -0.592  12.604   3.449
  185    H    LEU  34           H        LEU  34  -0.854   6.312   3.336
  186    HA   LEU  34           HA       LEU  34  -1.774   6.672   0.565
  187    HG   LEU  34           HG       LEU  34   0.040   4.725  -0.724
  188   1HD1  LEU  34          2HD1      LEU  34  -0.830   7.054  -1.470
  189   2HD1  LEU  34          3HD1      LEU  34   0.823   7.287  -2.039
  190   3HD1  LEU  34          1HD1      LEU  34  -0.144   5.952  -2.664
  191   1HD2  LEU  34          2HD2      LEU  34   2.647   6.131  -0.411
  192   2HD2  LEU  34          3HD2      LEU  34   2.291   4.405  -0.396
  193   3HD2  LEU  34          1HD2      LEU  34   2.282   5.294  -1.921
  194    H    ILE  35           H        ILE  35  -2.198   4.703  -0.542
  195    HA   ILE  35           HA       ILE  35  -1.792   2.242   1.006
  196    HB   ILE  35           HB       ILE  35  -4.403   3.001  -0.318
  197   1HG2  ILE  35          1HG2      ILE  35  -3.246   0.400   0.374
  198   2HG2  ILE  35          2HG2      ILE  35  -4.884   0.659   0.969
  199   3HG2  ILE  35          3HG2      ILE  35  -4.537   0.806  -0.753
  200   1HD1  ILE  35          3HD1      ILE  35  -6.051   1.708   1.811
  201   2HD1  ILE  35          1HD1      ILE  35  -5.954   2.845   3.157
  202   3HD1  ILE  35          2HD1      ILE  35  -6.342   3.427   1.537
  203    H    ILE  36           H        ILE  36  -1.052   0.578  -0.206
  204    HA   ILE  36           HA       ILE  36  -1.092   0.927  -3.141
  205    HB   ILE  36           HB       ILE  36   1.094  -0.353  -1.484
  206   1HG2  ILE  36          1HG2      ILE  36   0.594  -0.216  -4.422
  207   2HG2  ILE  36          2HG2      ILE  36   2.252  -0.200  -3.823
  208   3HG2  ILE  36          3HG2      ILE  36   1.191  -1.556  -3.443
  209   1HD1  ILE  36          1HD1      ILE  36   3.262   0.625  -1.943
  210   2HD1  ILE  36          2HD1      ILE  36   3.294   1.849  -3.215
  211   3HD1  ILE  36          3HD1      ILE  36   3.274   2.336  -1.519
  212    H    VAL  37           H        VAL  37  -1.871  -0.739  -4.309
  213    HA   VAL  37           HA       VAL  37  -2.395  -3.268  -2.885
  214    HB   VAL  37           HB       VAL  37  -4.396  -3.564  -4.333
  215   1HG1  VAL  37          1HG1      VAL  37  -4.194  -1.311  -2.382
  216   2HG1  VAL  37          2HG1      VAL  37  -5.727  -1.654  -3.185
  217   3HG1  VAL  37          3HG1      VAL  37  -4.954  -2.891  -2.195
  218   1HG2  VAL  37          3HG2      VAL  37  -3.430  -1.711  -5.957
  219   2HG2  VAL  37          1HG2      VAL  37  -5.163  -2.008  -5.817
  220   3HG2  VAL  37          2HG2      VAL  37  -4.428  -0.660  -4.953
  221    H    ALA  38           H        ALA  38  -1.776  -5.108  -3.848
  222    HA   ALA  38           HA       ALA  38  -0.039  -5.038  -6.123
  223   1HB   ALA  38          2HB       ALA  38  -0.544  -7.656  -5.826
  224   2HB   ALA  38          1HB       ALA  38  -1.049  -7.078  -4.236
  225   3HB   ALA  38          3HB       ALA  38   0.592  -6.767  -4.810
  226    H    ARG  39           H        ARG  39  -0.437  -5.631  -8.224
  227    HA   ARG  39           HA       ARG  39  -3.031  -5.292  -9.225
  228    HE   ARG  39           HE       ARG  39   2.598  -6.603 -11.958
  229   1HH1  ARG  39          2HH1      ARG  39   0.011  -8.975 -12.192
  230   2HH1  ARG  39          1HH1      ARG  39   1.099 -10.336 -12.181
  231   1HH2  ARG  39          2HH2      ARG  39   4.015  -8.399 -11.961
  232   2HH2  ARG  39          1HH2      ARG  39   3.356 -10.005 -12.068
  233    H    ASN  40           H        ASN  40  -1.250  -8.193  -8.382
  234    HA   ASN  40           HA       ASN  40  -3.405  -9.901  -9.364
  235   1HD2  ASN  40          1HD2      ASN  40  -3.885 -11.618  -9.199
  236   2HD2  ASN  40          2HD2      ASN  40  -3.583 -13.302  -9.467
  237    H    ALA  41           H        ALA  41  -4.142  -8.200  -7.291
  238    HA   ALA  41           HA       ALA  41  -4.400 -10.021  -4.994
  239   1HB   ALA  41          3HB       ALA  41  -3.516  -7.859  -4.354
  240   2HB   ALA  41          2HB       ALA  41  -5.153  -8.040  -3.719
  241   3HB   ALA  41          1HB       ALA  41  -4.864  -7.042  -5.146
  242    H    ARG  42           H        ARG  42  -6.496 -10.360  -4.119
  243    HA   ARG  42           HA       ARG  42  -8.456 -10.948  -5.990
  244    HE   ARG  42           HE       ARG  42 -10.895 -12.752  -3.102
  245   1HH1  ARG  42          2HH1      ARG  42  -9.306 -13.967  -0.223
  246   2HH1  ARG  42          1HH1      ARG  42 -10.788 -14.207   0.653
  247   1HH2  ARG  42          2HH2      ARG  42 -12.844 -13.071  -1.955
  248   2HH2  ARG  42          1HH2      ARG  42 -12.808 -13.713  -0.342
  249    HA   PRO  43           HA       PRO  43 -10.393  -7.075  -6.991
  250    H    ASP  44           H        ASP  44 -11.940  -9.452  -4.907
  251    HA   ASP  44           HA       ASP  44 -13.917  -7.920  -3.688
  252    H    ILE  45           H        ILE  45 -10.522  -8.351  -2.801
  253    HA   ILE  45           HA       ILE  45 -10.631  -6.660  -0.505
  254    HB   ILE  45           HB       ILE  45  -8.281  -7.681  -2.104
  255   1HG2  ILE  45          2HG2      ILE  45  -7.808  -5.596  -0.801
  256   2HG2  ILE  45          3HG2      ILE  45  -8.192  -6.501   0.663
  257   3HG2  ILE  45          1HG2      ILE  45  -6.834  -6.995  -0.351
  258   1HD1  ILE  45          2HD1      ILE  45  -9.356  -7.724   1.366
  259   2HD1  ILE  45          3HD1      ILE  45 -10.714  -8.702   0.807
  260   3HD1  ILE  45          1HD1      ILE  45  -9.324  -9.476   1.567
  261    H    LYS  46           H        LYS  46  -9.250  -6.284  -3.755
  262    HA   LYS  46           HA       LYS  46  -8.198  -3.743  -3.391
  263   1HZ   LYS  46          2HZ       LYS  46  -8.076  -4.205  -8.286
  264   2HZ   LYS  46          1HZ       LYS  46  -7.702  -2.881  -7.292
  265   3HZ   LYS  46          3HZ       LYS  46  -7.051  -2.985  -8.853
  266    H    GLU  47           H        GLU  47 -11.360  -4.638  -4.770
  267    HA   GLU  47           HA       GLU  47 -12.088  -2.096  -5.585
  268    H    ASP  48           H        ASP  48 -12.673  -3.640  -2.438
  269    HA   ASP  48           HA       ASP  48 -14.240  -1.563  -1.353
  270    H    ILE  49           H        ILE  49 -10.745  -2.193  -1.099
  271    HA   ILE  49           HA       ILE  49 -10.113  -0.019   0.526
  272    HB   ILE  49           HB       ILE  49  -8.375  -1.302  -1.588
  273   1HG2  ILE  49          2HG2      ILE  49  -7.919   0.984  -0.008
  274   2HG2  ILE  49          3HG2      ILE  49  -6.943  -0.316   0.678
  275   3HG2  ILE  49          1HG2      ILE  49  -6.767   0.116  -1.023
  276   1HD1  ILE  49          3HD1      ILE  49  -6.420  -2.336  -0.194
  277   2HD1  ILE  49          1HD1      ILE  49  -6.843  -3.218   1.274
  278   3HD1  ILE  49          2HD1      ILE  49  -7.308  -3.857  -0.303
  279    H    GLU  50           H        GLU  50  -9.946  -0.249  -3.025
  280    HA   GLU  50           HA       GLU  50  -9.060   2.377  -3.449
  281    H    TYR  51           H        TYR  51 -12.321   1.031  -3.312
  282    HA   TYR  51           HA       TYR  51 -13.705   3.332  -4.180
  283    HD1  TYR  51          1HD       TYR  51 -16.661   1.149  -1.420
  284    HD2  TYR  51          2HD       TYR  51 -15.912   3.630  -4.793
  285    HE1  TYR  51          1HE       TYR  51 -18.909   2.113  -1.201
  286    HE2  TYR  51          2HE       TYR  51 -18.164   4.595  -4.582
  287    HH   TYR  51           HH       TYR  51 -20.594   3.254  -2.951
  288    H    TYR  52           H        TYR  52 -13.009   2.097  -0.935
  289    HA   TYR  52           HA       TYR  52 -14.283   4.155   0.488
  290    HD1  TYR  52          1HD       TYR  52 -12.929   0.827   3.349
  291    HD2  TYR  52          2HD       TYR  52 -15.218   2.315   0.088
  292    HE1  TYR  52          1HE       TYR  52 -14.613  -0.915   3.746
  293    HE2  TYR  52          2HE       TYR  52 -16.901   0.564   0.471
  294    HH   TYR  52           HH       TYR  52 -17.266  -1.030   3.200
  295    H    ALA  53           H        ALA  53 -10.949   3.759  -0.591
  296    HA   ALA  53           HA       ALA  53  -9.884   6.043   0.662
  297   1HB   ALA  53          2HB       ALA  53  -8.680   4.046  -0.416
  298   2HB   ALA  53          3HB       ALA  53  -8.821   4.963  -1.914
  299   3HB   ALA  53          1HB       ALA  53  -7.944   5.643  -0.544
  300    H    ARG  54           H        ARG  54 -11.378   5.572  -2.520
  301    HA   ARG  54           HA       ARG  54 -10.800   8.135  -3.559
  302    HE   ARG  54           HE       ARG  54  -9.307   7.014  -4.146
  303   1HH1  ARG  54          2HH1      ARG  54  -8.708   8.502  -7.248
  304   2HH1  ARG  54          1HH1      ARG  54  -7.152   9.123  -6.796
  305   1HH2  ARG  54          2HH2      ARG  54  -7.245   7.837  -3.538
  306   2HH2  ARG  54          1HH2      ARG  54  -6.312   8.726  -4.710
  307    H    LEU  55           H        LEU  55 -13.508   6.910  -1.648
  308    HA   LEU  55           HA       LEU  55 -15.113   9.218  -1.721
  309    HG   LEU  55           HG       LEU  55 -15.431   6.069  -1.584
  310   1HD1  LEU  55          2HD1      LEU  55 -16.993   6.121   0.838
  311   2HD1  LEU  55          3HD1      LEU  55 -17.976   5.639  -0.546
  312   3HD1  LEU  55          1HD1      LEU  55 -16.502   4.749  -0.158
  313   1HD2  LEU  55          3HD2      LEU  55 -16.521   8.067  -2.632
  314   2HD2  LEU  55          1HD2      LEU  55 -17.424   6.560  -2.792
  315   3HD2  LEU  55          2HD2      LEU  55 -17.921   7.764  -1.602
  316    H    SER  56           H        SER  56 -12.553   8.199   0.470
  317    HA   SER  56           HA       SER  56 -12.653  10.688   1.961
  318    HG   SER  56           HG       SER  56 -11.212   9.794   4.405
  319    H    GLY  57           H        GLY  57  -9.573  10.433   2.093
  320   1HA   GLY  57          2HA       GLY  57  -8.459  12.412   0.930
  321   2HA   GLY  57          1HA       GLY  57  -8.958  11.600  -0.548
  322    H    ILE  58           H        ILE  58  -8.429   8.973   0.067
  323    HA   ILE  58           HA       ILE  58  -5.571   8.951   0.767
  324    HB   ILE  58           HB       ILE  58  -7.430   6.574   0.669
  325   1HG2  ILE  58          1HG2      ILE  58  -4.688   6.680   0.690
  326   2HG2  ILE  58          2HG2      ILE  58  -5.082   6.501   2.400
  327   3HG2  ILE  58          3HG2      ILE  58  -5.664   5.313   1.232
  328   1HD1  ILE  58          2HD1      ILE  58  -8.319   5.761   2.821
  329   2HD1  ILE  58          3HD1      ILE  58  -6.847   5.927   3.778
  330   3HD1  ILE  58          1HD1      ILE  58  -8.305   6.809   4.239
  331    HA   PRO  59           HA       PRO  59  -4.931   8.037  -3.578
  332    H    VAL  60           H        VAL  60  -5.190   6.034  -4.327
  333    HA   VAL  60           HA       VAL  60  -3.802   3.822  -2.977
  334    HB   VAL  60           HB       VAL  60  -6.153   3.723  -4.880
  335   1HG1  VAL  60          3HG1      VAL  60  -4.736   1.496  -3.414
  336   2HG1  VAL  60          1HG1      VAL  60  -6.233   1.325  -4.329
  337   3HG1  VAL  60          2HG1      VAL  60  -4.739   1.765  -5.156
  338   1HG2  VAL  60          1HG2      VAL  60  -5.897   3.783  -1.945
  339   2HG2  VAL  60          2HG2      VAL  60  -7.224   4.306  -2.981
  340   3HG2  VAL  60          3HG2      VAL  60  -7.025   2.596  -2.596
  341    H    TYR  61           H        TYR  61  -2.033   3.109  -3.904
  342    HA   TYR  61           HA       TYR  61  -1.525   3.746  -6.709
  343    HD1  TYR  61          1HD       TYR  61   0.211   4.320  -7.919
  344    HD2  TYR  61          2HD       TYR  61   2.361   1.798  -5.255
  345    HE1  TYR  61          1HE       TYR  61   1.903   3.939  -9.655
  346    HE2  TYR  61          2HE       TYR  61   4.069   1.418  -6.983
  347    HH   TYR  61           HH       TYR  61   3.627   1.937 -10.129
  348    H    GLU  62           H        GLU  62  -1.701   2.281  -8.255
  349    HA   GLU  62           HA       GLU  62  -2.267  -0.488  -7.599
  350    H    PHE  63           H        PHE  63  -0.633  -1.764  -7.098
  351    HA   PHE  63           HA       PHE  63   2.060  -1.143  -7.656
  352    HD1  PHE  63          1HD       PHE  63   3.812  -1.536  -7.003
  353    HD2  PHE  63          2HD       PHE  63   2.426  -5.364  -5.786
  354    HE1  PHE  63          1HE       PHE  63   6.131  -2.245  -6.615
  355    HE2  PHE  63          2HE       PHE  63   4.748  -6.087  -5.404
  356    HZ   PHE  63           HZ       PHE  63   6.604  -4.515  -5.806
  357    H    GLU  64           H        GLU  64   3.269  -1.512  -9.367
  358    HA   GLU  64           HA       GLU  64   2.261  -2.794 -11.710
  359    H    GLY  65           H        GLY  65   4.104  -3.746  -8.961
  360   1HA   GLY  65          2HA       GLY  65   5.175  -5.736  -8.412
  361   2HA   GLY  65          1HA       GLY  65   4.952  -6.285 -10.066
  362    H    THR  66           H        THR  66   4.424  -8.275  -8.815
  363    HA   THR  66           HA       THR  66   1.530  -8.444  -8.489
  364    HB   THR  66           HB       THR  66   2.603 -10.117  -9.942
  365    HG1  THR  66          1HG       THR  66   1.650 -11.962  -8.911
  366   1HG2  THR  66          3HG2      THR  66   4.678 -10.133  -8.251
  367   2HG2  THR  66          2HG2      THR  66   3.812 -11.549  -7.652
  368   3HG2  THR  66          1HG2      THR  66   4.320 -11.476  -9.339
  369    H    SER  67           H        SER  67   0.853 -10.083  -6.712
  370    HA   SER  67           HA       SER  67   1.441  -8.927  -4.208
  371    HG   SER  67           HG       SER  67  -0.969 -12.076  -5.059
  372    H    VAL  68           H        VAL  68   2.669 -11.753  -5.886
  373    HA   VAL  68           HA       VAL  68   3.992 -13.003  -3.750
  374    HB   VAL  68           HB       VAL  68   5.042 -12.940  -6.582
  375   1HG1  VAL  68          1HG1      VAL  68   5.628 -14.468  -4.175
  376   2HG1  VAL  68          2HG1      VAL  68   5.307 -15.485  -5.581
  377   3HG1  VAL  68          3HG1      VAL  68   6.576 -14.261  -5.649
  378   1HG2  VAL  68          2HG2      VAL  68   2.521 -13.468  -6.302
  379   2HG2  VAL  68          3HG2      VAL  68   3.522 -14.540  -7.282
  380   3HG2  VAL  68          1HG2      VAL  68   3.090 -14.998  -5.634
  381    H    GLU  69           H        GLU  69   5.166 -10.659  -6.141
  382    HA   GLU  69           HA       GLU  69   7.770 -10.342  -5.138
  383    H    LEU  70           H        LEU  70   4.776  -8.555  -4.527
  384    HA   LEU  70           HA       LEU  70   5.830  -6.587  -2.842
  385    HG   LEU  70           HG       LEU  70   3.520  -6.135  -0.903
  386   1HD1  LEU  70          1HD1      LEU  70   4.507  -4.605  -3.238
  387   2HD1  LEU  70          2HD1      LEU  70   3.641  -3.711  -1.987
  388   3HD1  LEU  70          3HD1      LEU  70   5.085  -4.635  -1.572
  389   1HD2  LEU  70          3HD2      LEU  70   1.607  -5.462  -3.116
  390   2HD2  LEU  70          1HD2      LEU  70   1.275  -6.237  -1.568
  391   3HD2  LEU  70          2HD2      LEU  70   1.676  -4.520  -1.626
  392    H    GLY  71           H        GLY  71   4.595  -9.826  -2.146
  393   1HA   GLY  71          2HA       GLY  71   4.806 -11.174  -0.303
  394   2HA   GLY  71          1HA       GLY  71   4.789  -9.709   0.668
  395    H    THR  72           H        THR  72   7.083 -10.818  -1.794
  396    HA   THR  72           HA       THR  72   9.127 -11.629  -0.031
  397    HB   THR  72           HB       THR  72   9.443 -10.538  -2.837
  398    HG1  THR  72          1HG       THR  72   8.178 -12.732  -1.973
  399   1HG2  THR  72          3HG2      THR  72  11.542 -10.739  -1.538
  400   2HG2  THR  72          2HG2      THR  72  11.187 -12.447  -1.274
  401   3HG2  THR  72          1HG2      THR  72  11.481 -11.850  -2.907
  402    H    LEU  73           H        LEU  73   8.376  -8.535  -1.549
  403    HA   LEU  73           HA       LEU  73  10.666  -7.127  -0.739
  404    HG   LEU  73           HG       LEU  73   9.172  -4.316  -0.215
  405   1HD1  LEU  73          2HD1      LEU  73  11.367  -5.519  -1.109
  406   2HD1  LEU  73          3HD1      LEU  73  11.178  -4.325  -2.392
  407   3HD1  LEU  73          1HD1      LEU  73  11.324  -3.801  -0.713
  408   1HD2  LEU  73          3HD2      LEU  73   7.671  -3.803  -2.107
  409   2HD2  LEU  73          1HD2      LEU  73   9.028  -2.683  -1.981
  410   3HD2  LEU  73          2HD2      LEU  73   9.045  -3.955  -3.204
  411    H    LEU  74           H        LEU  74   7.510  -7.553   0.824
  412    HA   LEU  74           HA       LEU  74   8.106  -5.947   3.097
  413    HG   LEU  74           HG       LEU  74   5.625  -6.188   1.288
  414   1HD1  LEU  74          3HD1      LEU  74   3.847  -7.578   2.503
  415   2HD1  LEU  74          1HD1      LEU  74   3.680  -6.181   3.569
  416   3HD1  LEU  74          2HD1      LEU  74   3.365  -6.015   1.842
  417   1HD2  LEU  74          2HD2      LEU  74   6.071  -4.782   3.864
  418   2HD2  LEU  74          3HD2      LEU  74   6.480  -4.294   2.219
  419   3HD2  LEU  74          1HD2      LEU  74   4.817  -4.157   2.793
  420    H    GLY  75           H        GLY  75   8.180  -9.464   2.533
  421   1HA   GLY  75          2HA       GLY  75   9.573  -9.789   5.102
  422   2HA   GLY  75          1HA       GLY  75  10.377 -10.315   3.632
  423    H    ARG  76           H        ARG  76   6.967 -10.559   4.472
  424    HA   ARG  76           HA       ARG  76   7.061 -13.279   5.243
  425    HE   ARG  76           HE       ARG  76   4.151 -10.259   6.576
  426   1HH1  ARG  76          2HH1      ARG  76   0.793 -10.618   5.609
  427   2HH1  ARG  76          1HH1      ARG  76   0.172 -10.099   7.149
  428   1HH2  ARG  76          2HH2      ARG  76   3.326  -9.595   8.603
  429   2HH2  ARG  76          1HH2      ARG  76   1.602  -9.529   8.850
  430    HA   PRO  77           HA       PRO  77   7.192 -15.078   1.173
  431    H    HIS  78           H        HIS  78   4.742 -13.976   1.875
  432    HA   HIS  78           HA       HIS  78   2.898 -15.938   0.716
  433    HD1  HIS  78          1HD       HIS  78   1.577 -17.796   1.965
  434    HD2  HIS  78          2HD       HIS  78   3.164 -15.788   5.247
  435    HE1  HIS  78          1HE       HIS  78   2.087 -19.575   3.674
  436    HE2  HIS  78          2HE       HIS  78   3.066 -18.343   5.643
  437    H    THR  79           H        THR  79   1.397 -15.069  -0.657
  438    HA   THR  79           HA       THR  79   2.093 -12.651  -1.921
  439    HB   THR  79           HB       THR  79  -0.040 -13.054  -3.222
  440    HG1  THR  79          1HG       THR  79  -0.633 -14.546  -1.149
  441   1HG2  THR  79          3HG2      THR  79   2.334 -14.731  -3.054
  442   2HG2  THR  79          2HG2      THR  79   0.948 -15.569  -3.757
  443   3HG2  THR  79          1HG2      THR  79   1.521 -14.060  -4.468
  444    H    VAL  80           H        VAL  80   1.949 -10.982  -0.387
  445    HA   VAL  80           HA       VAL  80  -0.429 -10.432   1.081
  446    HB   VAL  80           HB       VAL  80   1.744  -9.650   1.879
  447   1HG1  VAL  80          2HG1      VAL  80   1.814  -8.332  -0.764
  448   2HG1  VAL  80          3HG1      VAL  80   2.507  -7.445   0.593
  449   3HG1  VAL  80          1HG1      VAL  80   3.115  -9.051   0.186
  450   1HG2  VAL  80          3HG2      VAL  80  -0.483  -7.768   1.405
  451   2HG2  VAL  80          1HG2      VAL  80   0.246  -8.312   2.916
  452   3HG2  VAL  80          2HG2      VAL  80   1.042  -7.069   1.949
  453    H    SER  81           H        SER  81  -2.156  -9.236   0.575
  454    HA   SER  81           HA       SER  81  -2.595  -8.664  -2.182
  455    HG   SER  81           HG       SER  81  -3.793 -10.144   0.261
  456    H    ALA  82           H        ALA  82  -2.340  -6.635   0.736
  457    HA   ALA  82           HA       ALA  82  -1.654  -4.329  -0.901
  458   1HB   ALA  82          1HB       ALA  82  -4.311  -4.783   0.199
  459   2HB   ALA  82          3HB       ALA  82  -3.767  -3.613  -1.007
  460   3HB   ALA  82          2HB       ALA  82  -3.607  -3.247   0.712
  461    H    LEU  83           H        LEU  83  -1.223  -2.396   0.475
  462    HA   LEU  83           HA       LEU  83  -0.673  -2.949   3.262
  463    HG   LEU  83           HG       LEU  83   1.140  -2.174   0.164
  464   1HD1  LEU  83          3HD1      LEU  83   2.671  -0.459   2.090
  465   2HD1  LEU  83          1HD1      LEU  83   2.939  -0.364   0.349
  466   3HD1  LEU  83          2HD1      LEU  83   1.344  -0.009   1.017
  467   1HD2  LEU  83          3HD2      LEU  83   2.916  -3.938   0.968
  468   2HD2  LEU  83          1HD2      LEU  83   3.215  -2.914  -0.437
  469   3HD2  LEU  83          2HD2      LEU  83   3.934  -2.507   1.121
  470    H    ALA  84           H        ALA  84  -0.797  -1.178   4.520
  471    HA   ALA  84           HA       ALA  84  -1.537   1.311   3.147
  472   1HB   ALA  84          2HB       ALA  84  -2.803  -0.136   5.180
  473   2HB   ALA  84          3HB       ALA  84  -2.154   1.308   5.956
  474   3HB   ALA  84          1HB       ALA  84  -3.235   1.460   4.571
  475    H    VAL  85           H        VAL  85  -0.141   2.901   3.178
  476    HA   VAL  85           HA       VAL  85   2.094   2.904   5.050
  477    HB   VAL  85           HB       VAL  85   1.472   4.860   2.825
  478   1HG1  VAL  85          1HG1      VAL  85   3.948   4.414   4.483
  479   2HG1  VAL  85          2HG1      VAL  85   3.887   5.424   3.041
  480   3HG1  VAL  85          3HG1      VAL  85   2.926   5.850   4.456
  481   1HG2  VAL  85          1HG2      VAL  85   3.208   2.397   2.842
  482   2HG2  VAL  85          2HG2      VAL  85   1.810   2.724   1.817
  483   3HG2  VAL  85          3HG2      VAL  85   3.296   3.653   1.604
  484    H    VAL  86           H        VAL  86   1.539   3.645   7.014
  485    HA   VAL  86           HA       VAL  86  -0.466   5.689   7.354
  486    HB   VAL  86           HB       VAL  86   1.406   4.589   9.457
  487   1HG1  VAL  86          2HG1      VAL  86  -1.267   5.970   9.627
  488   2HG1  VAL  86          3HG1      VAL  86  -0.411   5.255  10.991
  489   3HG1  VAL  86          1HG1      VAL  86   0.292   6.620  10.127
  490   1HG2  VAL  86          3HG2      VAL  86  -1.047   3.443   8.228
  491   2HG2  VAL  86          1HG2      VAL  86   0.389   2.632   8.854
  492   3HG2  VAL  86          2HG2      VAL  86  -0.828   3.254   9.969
  493    H    ASP  87           H        ASP  87   3.012   5.423   8.012
  494    HA   ASP  87           HA       ASP  87   3.210   8.337   7.681
  495    HA   PRO  88           HA       PRO  88   6.005   6.823   4.559
  496    H    GLY  89           H        GLY  89   6.774   9.497   6.732
  497   1HA   GLY  89          2HA       GLY  89   9.453   8.567   7.151
  498   2HA   GLY  89          1HA       GLY  89   8.751  10.053   7.778
  499    H    GLU  90           H        GLU  90  11.311   9.238   6.250
  500    HA   GLU  90           HA       GLU  90  11.527  11.641   4.674
  501    H    SER  91           H        SER  91  11.077   8.252   4.165
  502    HA   SER  91           HA       SER  91  11.903   7.877   1.607
  503    HG   SER  91           HG       SER  91   9.910   6.514   4.369
  504    H    ARG  92           H        ARG  92  11.248   8.372  -0.353
  505    HA   ARG  92           HA       ARG  92   8.882   9.969  -0.812
  506    HE   ARG  92           HE       ARG  92  12.777   7.043  -4.239
  507   1HH1  ARG  92          2HH1      ARG  92  12.576   9.753  -6.444
  508   2HH1  ARG  92          1HH1      ARG  92  13.472   8.962  -7.705
  509   1HH2  ARG  92          2HH2      ARG  92  13.946   5.984  -5.903
  510   2HH2  ARG  92          1HH2      ARG  92  14.245   6.816  -7.405
  511    H    ILE  93           H        ILE  93   8.111   7.602   0.266
  512    HA   ILE  93           HA       ILE  93   7.607   5.577  -1.651
  513    HB   ILE  93           HB       ILE  93   7.818   5.452   0.949
  514   1HG2  ILE  93          3HG2      ILE  93   5.518   6.870   0.936
  515   2HG2  ILE  93          1HG2      ILE  93   4.902   5.225   1.102
  516   3HG2  ILE  93          2HG2      ILE  93   6.064   5.855   2.270
  517   1HD1  ILE  93          1HD1      ILE  93   4.942   4.374  -1.004
  518   2HD1  ILE  93          2HD1      ILE  93   5.514   2.733  -1.305
  519   3HD1  ILE  93          3HD1      ILE  93   4.725   3.123   0.223
  520    H    LEU  94           H        LEU  94   5.667   8.266  -0.405
  521    HA   LEU  94           HA       LEU  94   3.337   7.340  -1.843
  522    HG   LEU  94           HG       LEU  94   4.915  10.150  -0.131
  523   1HD1  LEU  94          3HD1      LEU  94   3.628  11.223  -2.007
  524   2HD1  LEU  94          1HD1      LEU  94   2.485  11.798  -0.794
  525   3HD1  LEU  94          2HD1      LEU  94   4.168  12.323  -0.739
  526   1HD2  LEU  94          3HD2      LEU  94   2.410  10.477   1.490
  527   2HD2  LEU  94          1HD2      LEU  94   3.992   9.900   2.012
  528   3HD2  LEU  94          2HD2      LEU  94   3.761  11.602   1.616
  529    H    ALA  95           H        ALA  95   6.084   9.168  -2.503
  530    HA   ALA  95           HA       ALA  95   5.245  11.113  -4.267
  531   1HB   ALA  95          2HB       ALA  95   7.432  11.446  -4.375
  532   2HB   ALA  95          1HB       ALA  95   7.631   9.960  -5.308
  533   3HB   ALA  95          3HB       ALA  95   7.700   9.913  -3.545
  534    H    LEU  96           H        LEU  96   6.157   7.763  -5.079
  535    HA   LEU  96           HA       LEU  96   5.085   8.115  -7.759
  536    HG   LEU  96           HG       LEU  96   5.427   4.774  -6.131
  537   1HD1  LEU  96          2HD1      LEU  96   7.809   4.516  -7.837
  538   2HD1  LEU  96          3HD1      LEU  96   7.849   3.605  -6.329
  539   3HD1  LEU  96          1HD1      LEU  96   6.536   3.350  -7.480
  540   1HD2  LEU  96          1HD2      LEU  96   6.694   6.547  -4.757
  541   2HD2  LEU  96          2HD2      LEU  96   6.894   4.849  -4.317
  542   3HD2  LEU  96          3HD2      LEU  96   8.147   5.673  -5.245
  543    H    GLY  97           H        GLY  97   3.910   7.288  -4.762
  544   1HA   GLY  97          2HA       GLY  97   1.982   6.224  -4.044
  545   2HA   GLY  97          1HA       GLY  97   1.933   5.354  -5.571
  546    H    GLY  98           H        GLY  98   1.967   8.835  -4.918
  547   1HA   GLY  98          2HA       GLY  98  -0.769   9.312  -5.407
  548   2HA   GLY  98          1HA       GLY  98   0.131   9.493  -6.909
  549    H    LYS  99           H        LYS  99  -1.296  11.508  -5.323
  550    HA   LYS  99           HA       LYS  99   0.487  13.075  -3.817
  551   1HZ   LYS  99          1HZ       LYS  99   3.971  17.375  -7.106
  552   2HZ   LYS  99          3HZ       LYS  99   5.196  16.314  -6.595
  553   3HZ   LYS  99          2HZ       LYS  99   4.208  15.904  -7.914
  554    H    GLU 100           H        GLU 100  -0.859  14.053  -2.498
  555    HA   GLU 100           HA       GLU 100  -3.337  15.188  -3.613

  No H/Q in entry =         555
  Start of MODEL    9
    1    H1   GLY  -2          3H        GLY  -2  17.174   7.463  -5.559
    2    H2   GLY  -2          2H        GLY  -2  18.652   8.247  -5.280
    3    H3   GLY  -2          1H        GLY  -2  17.189   9.052  -4.969
    4   1HA   GLY  -2          1HA       GLY  -2  18.308   8.277  -7.600
    5   2HA   GLY  -2          2HA       GLY  -2  18.023   9.907  -6.998
    6    H    SER  -1           H        SER  -1  16.940   7.918  -9.208
    7    HA   SER  -1           HA       SER  -1  14.393   9.144  -9.464
    8    HG   SER  -1           HG       SER  -1  13.538   6.739 -11.723
    9    H    VAL   1           H        VAL   1  12.445   8.538  -8.704
   10    HA   VAL   1           HA       VAL   1  12.282   6.629  -6.639
   11    HB   VAL   1           HB       VAL   1   9.821   7.001  -6.725
   12   1HG1  VAL   1          2HG1      VAL   1  11.494   8.490  -5.528
   13   2HG1  VAL   1          3HG1      VAL   1  11.288   9.621  -6.865
   14   3HG1  VAL   1          1HG1      VAL   1   9.907   9.187  -5.856
   15   1HG2  VAL   1          1HG2      VAL   1   9.746   7.361  -9.210
   16   2HG2  VAL   1          2HG2      VAL   1   8.838   8.532  -8.254
   17   3HG2  VAL   1          3HG2      VAL   1  10.410   8.970  -8.924
   18    H    ASP   2           H        ASP   2  11.719   4.551  -6.586
   19    HA   ASP   2           HA       ASP   2  10.912   3.314  -9.142
   20    H    PHE   3           H        PHE   3  11.233   2.167  -5.790
   21    HA   PHE   3           HA       PHE   3   8.761   2.199  -4.820
   22    HD1  PHE   3          1HD       PHE   3   8.167  -2.095  -5.132
   23    HD2  PHE   3          2HD       PHE   3   6.234   1.688  -4.908
   24    HE1  PHE   3          1HE       PHE   3   6.457  -3.056  -3.647
   25    HE2  PHE   3          2HE       PHE   3   4.524   0.733  -3.427
   26    HZ   PHE   3           HZ       PHE   3   4.635  -1.641  -2.788
   27    H    ALA   4           H        ALA   4  11.078  -0.369  -5.563
   28    HA   ALA   4           HA       ALA   4  10.730  -1.833  -3.243
   29   1HB   ALA   4          3HB       ALA   4  12.391  -1.959  -5.525
   30   2HB   ALA   4          2HB       ALA   4  12.030  -3.231  -4.359
   31   3HB   ALA   4          1HB       ALA   4  13.418  -2.170  -4.104
   32    H    PHE   5           H        PHE   5  13.306   0.545  -3.922
   33    HA   PHE   5           HA       PHE   5  14.508   0.315  -1.360
   34    HD1  PHE   5          1HD       PHE   5  16.473   0.845  -0.621
   35    HD2  PHE   5          2HD       PHE   5  15.792   4.496  -2.696
   36    HE1  PHE   5          1HE       PHE   5  18.018   1.996   0.906
   37    HE2  PHE   5          2HE       PHE   5  17.339   5.652  -1.174
   38    HZ   PHE   5           HZ       PHE   5  18.455   4.402   0.629
   39    H    GLU   6           H        GLU   6  12.134   2.509  -2.741
   40    HA   GLU   6           HA       GLU   6  11.842   4.272  -0.606
   41    H    LEU   7           H        LEU   7  10.143   1.238  -1.306
   42    HA   LEU   7           HA       LEU   7   8.435   1.341   0.948
   43    HG   LEU   7           HG       LEU   7   7.940  -1.543   1.516
   44   1HD1  LEU   7          3HD1      LEU   7   6.419   0.591   0.301
   45   2HD1  LEU   7          1HD1      LEU   7   5.417  -0.827   0.604
   46   3HD1  LEU   7          2HD1      LEU   7   6.315  -0.083   1.926
   47   1HD2  LEU   7          1HD2      LEU   7   7.625  -2.509  -1.126
   48   2HD2  LEU   7          2HD2      LEU   7   7.278  -3.335   0.392
   49   3HD2  LEU   7          3HD2      LEU   7   6.021  -2.387  -0.405
   50    H    ARG   8           H        ARG   8  11.603  -0.148   0.388
   51    HA   ARG   8           HA       ARG   8  11.827  -1.523   2.830
   52    HE   ARG   8           HE       ARG   8  14.535  -3.219   3.091
   53   1HH1  ARG   8          2HH1      ARG   8  11.672  -5.227   3.031
   54   2HH1  ARG   8          1HH1      ARG   8  11.924  -5.846   4.635
   55   1HH2  ARG   8          2HH2      ARG   8  14.885  -4.057   5.178
   56   2HH2  ARG   8          1HH2      ARG   8  13.754  -5.203   5.849
   57    H    LYS   9           H        LYS   9  12.713   1.773   1.921
   58    HA   LYS   9           HA       LYS   9  13.789   2.461   4.461
   59   1HZ   LYS   9          3HZ       LYS   9  16.362   6.007   2.524
   60   2HZ   LYS   9          2HZ       LYS   9  16.778   6.822   3.949
   61   3HZ   LYS   9          1HZ       LYS   9  17.829   5.657   3.301
   62    H    ALA  10           H        ALA  10  10.618   2.888   2.947
   63    HA   ALA  10           HA       ALA  10   9.420   4.473   4.910
   64   1HB   ALA  10          2HB       ALA  10   7.466   2.705   3.842
   65   2HB   ALA  10          3HB       ALA  10   7.764   4.400   3.446
   66   3HB   ALA  10          1HB       ALA  10   8.606   3.126   2.561
   67    H    GLN  11           H        GLN  11   9.779   0.976   4.712
   68    HA   GLN  11           HA       GLN  11   8.128   0.259   6.872
   69   1HE2  GLN  11          1HE2      GLN  11   6.109  -1.419   4.870
   70   2HE2  GLN  11          2HE2      GLN  11   5.373  -2.177   6.237
   71    H    ASP  12           H        ASP  12  11.470   1.341   6.734
   72    HA   ASP  12           HA       ASP  12  11.941   0.775   9.522
   73    H    THR  13           H        THR  13  11.640   3.722   7.536
   74    HA   THR  13           HA       THR  13  12.060   5.507   9.680
   75    HB   THR  13           HB       THR  13  11.010   7.220   8.141
   76    HG1  THR  13          1HG       THR  13   9.786   6.363   6.632
   77   1HG2  THR  13          2HG2      THR  13  13.476   6.435   8.214
   78   2HG2  THR  13          1HG2      THR  13  13.101   5.643   6.684
   79   3HG2  THR  13          3HG2      THR  13  12.932   7.392   6.835
   80    H    GLY  14           H        GLY  14   9.078   4.303   8.182
   81   1HA   GLY  14          2HA       GLY  14   6.932   5.325   8.885
   82   2HA   GLY  14          1HA       GLY  14   7.626   5.429  10.497
   83    H    LYS  15           H        LYS  15   5.261   4.006   9.254
   84    HA   LYS  15           HA       LYS  15   5.882   1.217   9.722
   85   1HZ   LYS  15          3HZ       LYS  15   2.613   1.197  13.453
   86   2HZ   LYS  15          2HZ       LYS  15   1.980   2.132  14.712
   87   3HZ   LYS  15          1HZ       LYS  15   2.072   2.776  13.148
   88    H    ILE  16           H        ILE  16   4.667  -0.068   8.463
   89    HA   ILE  16           HA       ILE  16   2.400   1.197   7.059
   90    HB   ILE  16           HB       ILE  16   4.248  -0.866   5.864
   91   1HG2  ILE  16          1HG2      ILE  16   1.960  -0.712   4.939
   92   2HG2  ILE  16          2HG2      ILE  16   2.247   0.990   4.579
   93   3HG2  ILE  16          3HG2      ILE  16   3.201  -0.256   3.774
   94   1HD1  ILE  16          1HD1      ILE  16   5.382   0.002   3.872
   95   2HD1  ILE  16          2HD1      ILE  16   5.111   1.701   3.492
   96   3HD1  ILE  16          3HD1      ILE  16   6.558   1.216   4.375
   97    H    VAL  17           H        VAL  17   0.530   0.175   7.270
   98    HA   VAL  17           HA       VAL  17   0.444  -2.328   8.702
   99    HB   VAL  17           HB       VAL  17  -1.877  -0.740   7.603
  100   1HG1  VAL  17          2HG1      VAL  17  -1.596  -3.050   9.450
  101   2HG1  VAL  17          3HG1      VAL  17  -2.861  -1.870   9.780
  102   3HG1  VAL  17          1HG1      VAL  17  -2.830  -2.718   8.235
  103   1HG2  VAL  17          2HG2      VAL  17  -0.241  -0.387  10.080
  104   2HG2  VAL  17          3HG2      VAL  17  -0.868   0.829   8.967
  105   3HG2  VAL  17          1HG2      VAL  17  -1.957   0.018  10.091
  106    H    MET  18           H        MET  18   1.080  -3.981   7.415
  107    HA   MET  18           HA       MET  18  -0.106  -4.346   4.781
  108   1HE   MET  18          1HE       MET  18   2.297  -7.223   9.363
  109   2HE   MET  18          2HE       MET  18   3.945  -7.179   8.731
  110   3HE   MET  18          3HE       MET  18   3.475  -6.097  10.042
  111    H    GLY  19           H        GLY  19  -1.722  -5.798   4.316
  112   1HA   GLY  19          2HA       GLY  19  -3.261  -6.729   6.549
  113   2HA   GLY  19          1HA       GLY  19  -2.434  -8.046   5.738
  114    H    ALA  20           H        ALA  20  -3.428  -5.359   3.832
  115    HA   ALA  20           HA       ALA  20  -4.880  -5.148   2.107
  116   1HB   ALA  20          2HB       ALA  20  -5.290  -8.105   2.482
  117   2HB   ALA  20          3HB       ALA  20  -6.078  -7.158   1.220
  118   3HB   ALA  20          1HB       ALA  20  -4.319  -7.295   1.253
  119    H    ARG  21           H        ARG  21  -6.411  -7.415   4.418
  120    HA   ARG  21           HA       ARG  21  -8.927  -6.062   4.281
  121    HE   ARG  21           HE       ARG  21  -6.376  -9.315   8.554
  122   1HH1  ARG  21          2HH1      ARG  21  -8.379  -6.984  10.228
  123   2HH1  ARG  21          1HH1      ARG  21  -7.736  -7.366  11.799
  124   1HH2  ARG  21          2HH2      ARG  21  -5.473  -9.781  10.607
  125   2HH2  ARG  21          1HH2      ARG  21  -6.059  -8.930  12.009
  126    H    LYS  22           H        LYS  22  -6.078  -5.804   6.257
  127    HA   LYS  22           HA       LYS  22  -7.142  -4.047   8.240
  128   1HZ   LYS  22          3HZ       LYS  22  -4.329  -4.839  11.803
  129   2HZ   LYS  22          2HZ       LYS  22  -4.842  -6.296  12.505
  130   3HZ   LYS  22          1HZ       LYS  22  -3.260  -5.746  12.758
  131    H    SER  23           H        SER  23  -5.724  -3.673   5.061
  132    HA   SER  23           HA       SER  23  -5.460  -0.862   5.058
  133    HG   SER  23           HG       SER  23  -3.401  -2.061   3.474
  134    H    ILE  24           H        ILE  24  -8.108  -3.057   4.356
  135    HA   ILE  24           HA       ILE  24  -9.930  -1.208   3.240
  136    HB   ILE  24           HB       ILE  24 -10.500  -3.695   4.869
  137   1HG2  ILE  24          2HG2      ILE  24 -12.244  -1.669   3.875
  138   2HG2  ILE  24          3HG2      ILE  24 -12.543  -3.166   2.991
  139   3HG2  ILE  24          1HG2      ILE  24 -12.645  -3.147   4.752
  140   1HD1  ILE  24          1HD1      ILE  24 -11.761  -5.256   3.264
  141   2HD1  ILE  24          2HD1      ILE  24 -11.256  -5.322   1.576
  142   3HD1  ILE  24          3HD1      ILE  24 -10.232  -6.022   2.830
  143    H    GLN  25           H        GLN  25  -9.346  -2.277   6.568
  144    HA   GLN  25           HA       GLN  25 -11.352  -0.789   7.840
  145   1HE2  GLN  25          1HE2      GLN  25 -11.192  -2.359  12.245
  146   2HE2  GLN  25          2HE2      GLN  25 -12.872  -2.408  11.816
  147    H    TYR  26           H        TYR  26  -8.015   0.021   7.005
  148    HA   TYR  26           HA       TYR  26  -8.089   2.640   8.110
  149    HD1  TYR  26          1HD       TYR  26  -6.642   0.238   8.912
  150    HD2  TYR  26          2HD       TYR  26  -4.377   3.629   7.702
  151    HE1  TYR  26          1HE       TYR  26  -5.288   0.058  10.956
  152    HE2  TYR  26          2HE       TYR  26  -3.012   3.451   9.738
  153    HH   TYR  26           HH       TYR  26  -3.106   0.707  11.784
  154    H    ALA  27           H        ALA  27  -8.908   1.301   4.966
  155    HA   ALA  27           HA       ALA  27  -9.143   3.729   3.564
  156   1HB   ALA  27          3HB       ALA  27 -10.852   1.307   3.058
  157   2HB   ALA  27          2HB       ALA  27  -9.151   1.386   2.597
  158   3HB   ALA  27          1HB       ALA  27 -10.307   2.524   1.903
  159    H    LYS  28           H        LYS  28 -11.356   1.992   5.666
  160    HA   LYS  28           HA       LYS  28 -13.672   3.498   5.109
  161   1HZ   LYS  28          1HZ       LYS  28 -15.639  -2.036   8.104
  162   2HZ   LYS  28          3HZ       LYS  28 -15.839  -3.095   6.797
  163   3HZ   LYS  28          2HZ       LYS  28 -14.375  -3.069   7.646
  164    H    MET  29           H        MET  29 -11.382   3.792   7.847
  165    HA   MET  29           HA       MET  29 -11.561   6.647   7.848
  166   1HE   MET  29          2HE       MET  29 -13.055   2.580  11.845
  167   2HE   MET  29          3HE       MET  29 -14.819   2.607  11.831
  168   3HE   MET  29          1HE       MET  29 -13.950   1.389  10.897
  169    H    GLY  30           H        GLY  30  -9.503   4.865   7.631
  170   1HA   GLY  30          2HA       GLY  30  -7.538   4.128   8.553
  171   2HA   GLY  30          1HA       GLY  30  -8.164   4.504  10.154
  172    H    GLY  31           H        GLY  31  -7.958   6.754   7.467
  173   1HA   GLY  31          2HA       GLY  31  -6.330   8.584   8.993
  174   2HA   GLY  31          1HA       GLY  31  -6.856   8.789   7.326
  175    H    ALA  32           H        ALA  32  -5.878   6.269   6.412
  176    HA   ALA  32           HA       ALA  32  -3.085   6.026   6.927
  177   1HB   ALA  32          2HB       ALA  32  -3.902   4.947   4.372
  178   2HB   ALA  32          3HB       ALA  32  -3.302   4.113   5.806
  179   3HB   ALA  32          1HB       ALA  32  -5.019   4.482   5.655
  180    H    LYS  33           H        LYS  33  -1.364   6.709   5.695
  181    HA   LYS  33           HA       LYS  33  -1.780   9.145   4.249
  182   1HZ   LYS  33          1HZ       LYS  33  -1.089  13.096   3.766
  183   2HZ   LYS  33          3HZ       LYS  33   0.230  13.939   4.423
  184   3HZ   LYS  33          2HZ       LYS  33  -0.001  13.895   2.743
  185    H    LEU  34           H        LEU  34  -0.420   5.919   3.354
  186    HA   LEU  34           HA       LEU  34  -1.633   6.336   0.712
  187    HG   LEU  34           HG       LEU  34   0.215   4.490  -0.904
  188   1HD1  LEU  34          1HD1      LEU  34  -0.926   7.049  -1.244
  189   2HD1  LEU  34          2HD1      LEU  34   0.159   6.773  -2.605
  190   3HD1  LEU  34          3HD1      LEU  34  -1.128   5.619  -2.255
  191   1HD2  LEU  34          3HD2      LEU  34   2.503   6.353  -0.946
  192   2HD2  LEU  34          1HD2      LEU  34   2.437   4.620  -1.273
  193   3HD2  LEU  34          2HD2      LEU  34   1.930   5.773  -2.510
  194    H    ILE  35           H        ILE  35  -2.706   4.559   0.096
  195    HA   ILE  35           HA       ILE  35  -1.975   2.004   1.367
  196    HB   ILE  35           HB       ILE  35  -4.523   2.746  -0.086
  197   1HG2  ILE  35          2HG2      ILE  35  -3.632   0.321  -0.225
  198   2HG2  ILE  35          3HG2      ILE  35  -4.099   0.223   1.472
  199   3HG2  ILE  35          1HG2      ILE  35  -5.312   0.580   0.245
  200   1HD1  ILE  35          1HD1      ILE  35  -6.408   1.961   1.415
  201   2HD1  ILE  35          2HD1      ILE  35  -6.165   1.925   3.160
  202   3HD1  ILE  35          3HD1      ILE  35  -6.494   3.454   2.347
  203    H    ILE  36           H        ILE  36  -0.858   0.610   0.193
  204    HA   ILE  36           HA       ILE  36  -0.840   0.924  -2.735
  205    HB   ILE  36           HB       ILE  36   1.166  -0.509  -0.980
  206   1HG2  ILE  36          2HG2      ILE  36   0.777  -0.325  -3.882
  207   2HG2  ILE  36          3HG2      ILE  36   2.420   0.006  -3.336
  208   3HG2  ILE  36          1HG2      ILE  36   1.646  -1.524  -2.926
  209   1HD1  ILE  36          3HD1      ILE  36   3.265   0.683  -0.526
  210   2HD1  ILE  36          1HD1      ILE  36   3.599   1.204  -2.179
  211   3HD1  ILE  36          2HD1      ILE  36   3.418   2.400  -0.896
  212    H    VAL  37           H        VAL  37  -1.647  -0.662  -3.986
  213    HA   VAL  37           HA       VAL  37  -2.209  -3.262  -2.722
  214    HB   VAL  37           HB       VAL  37  -4.296  -3.424  -4.044
  215   1HG1  VAL  37          1HG1      VAL  37  -3.870  -1.420  -1.920
  216   2HG1  VAL  37          2HG1      VAL  37  -5.404  -1.326  -2.785
  217   3HG1  VAL  37          3HG1      VAL  37  -4.945  -2.818  -1.965
  218   1HG2  VAL  37          3HG2      VAL  37  -3.267  -1.041  -5.275
  219   2HG2  VAL  37          1HG2      VAL  37  -4.628  -2.052  -5.763
  220   3HG2  VAL  37          2HG2      VAL  37  -4.874  -0.737  -4.612
  221    H    ALA  38           H        ALA  38  -1.635  -5.015  -3.885
  222    HA   ALA  38           HA       ALA  38  -0.013  -4.672  -6.210
  223   1HB   ALA  38          1HB       ALA  38   0.724  -6.697  -5.653
  224   2HB   ALA  38          2HB       ALA  38  -0.403  -6.674  -4.298
  225   3HB   ALA  38          3HB       ALA  38  -0.886  -7.394  -5.834
  226    H    ARG  39           H        ARG  39  -0.510  -4.977  -8.359
  227    HA   ARG  39           HA       ARG  39  -3.198  -4.744  -9.127
  228    HE   ARG  39           HE       ARG  39   0.097  -7.698 -13.497
  229   1HH1  ARG  39          2HH1      ARG  39   1.610  -4.629 -12.722
  230   2HH1  ARG  39          1HH1      ARG  39   3.216  -5.211 -13.070
  231   1HH2  ARG  39          2HH2      ARG  39   2.193  -8.441 -13.946
  232   2HH2  ARG  39          1HH2      ARG  39   3.548  -7.366 -13.748
  233    H    ASN  40           H        ASN  40  -1.097  -7.527  -8.819
  234    HA   ASN  40           HA       ASN  40  -3.140  -9.332  -9.831
  235   1HD2  ASN  40          1HD2      ASN  40   0.890  -9.219 -10.543
  236   2HD2  ASN  40          2HD2      ASN  40   0.531  -9.570 -12.201
  237    H    ALA  41           H        ALA  41  -4.149  -7.965  -7.790
  238    HA   ALA  41           HA       ALA  41  -4.260  -9.938  -5.608
  239   1HB   ALA  41          3HB       ALA  41  -4.572  -6.947  -5.500
  240   2HB   ALA  41          1HB       ALA  41  -5.185  -8.004  -4.229
  241   3HB   ALA  41          2HB       ALA  41  -3.459  -7.964  -4.589
  242    H    ARG  42           H        ARG  42  -6.440 -10.118  -4.628
  243    HA   ARG  42           HA       ARG  42  -8.377 -10.752  -6.502
  244    HE   ARG  42           HE       ARG  42  -7.761 -14.116  -2.703
  245   1HH1  ARG  42          2HH1      ARG  42 -10.493 -12.976  -0.836
  246   2HH1  ARG  42          1HH1      ARG  42 -10.386 -14.254   0.337
  247   1HH2  ARG  42          2HH2      ARG  42  -7.665 -15.837  -1.214
  248   2HH2  ARG  42          1HH2      ARG  42  -8.826 -15.926   0.081
  249    HA   PRO  43           HA       PRO  43  -9.964  -6.831  -7.890
  250    H    ASP  44           H        ASP  44 -11.899  -8.985  -5.867
  251    HA   ASP  44           HA       ASP  44 -13.796  -7.202  -4.880
  252    H    ILE  45           H        ILE  45 -10.547  -7.933  -3.720
  253    HA   ILE  45           HA       ILE  45 -10.628  -6.251  -1.442
  254    HB   ILE  45           HB       ILE  45  -8.261  -7.296  -3.009
  255   1HG2  ILE  45          2HG2      ILE  45  -8.275  -5.297  -1.059
  256   2HG2  ILE  45          3HG2      ILE  45  -7.713  -6.755  -0.240
  257   3HG2  ILE  45          1HG2      ILE  45  -6.882  -6.177  -1.684
  258   1HD1  ILE  45          2HD1      ILE  45  -9.427  -7.470   0.443
  259   2HD1  ILE  45          3HD1      ILE  45 -10.831  -8.288  -0.244
  260   3HD1  ILE  45          1HD1      ILE  45  -9.551  -9.226   0.527
  261    H    LYS  46           H        LYS  46  -9.422  -5.830  -4.742
  262    HA   LYS  46           HA       LYS  46  -8.349  -3.258  -4.444
  263   1HZ   LYS  46          1HZ       LYS  46  -5.662  -2.548  -7.995
  264   2HZ   LYS  46          3HZ       LYS  46  -4.728  -3.289  -6.792
  265   3HZ   LYS  46          2HZ       LYS  46  -4.079  -3.057  -8.335
  266    H    GLU  47           H        GLU  47 -11.547  -4.221  -5.717
  267    HA   GLU  47           HA       GLU  47 -12.490  -1.653  -6.206
  268    H    ASP  48           H        ASP  48 -12.810  -3.638  -3.294
  269    HA   ASP  48           HA       ASP  48 -14.504  -1.856  -1.934
  270    H    ILE  49           H        ILE  49 -10.987  -2.358  -1.684
  271    HA   ILE  49           HA       ILE  49 -10.534  -0.369   0.264
  272    HB   ILE  49           HB       ILE  49  -8.653  -1.465  -1.831
  273   1HG2  ILE  49          3HG2      ILE  49  -7.952   0.768  -1.057
  274   2HG2  ILE  49          1HG2      ILE  49  -7.985   0.184   0.608
  275   3HG2  ILE  49          2HG2      ILE  49  -6.839  -0.500  -0.544
  276   1HD1  ILE  49          2HD1      ILE  49  -6.795  -2.611  -0.724
  277   2HD1  ILE  49          3HD1      ILE  49  -6.872  -2.816   1.027
  278   3HD1  ILE  49          1HD1      ILE  49  -7.479  -4.085  -0.038
  279    H    GLU  50           H        GLU  50 -10.145  -0.226  -3.292
  280    HA   GLU  50           HA       GLU  50  -9.299   2.436  -3.347
  281    H    TYR  51           H        TYR  51 -12.575   1.114  -3.806
  282    HA   TYR  51           HA       TYR  51 -13.845   3.559  -4.319
  283    HD1  TYR  51          1HD       TYR  51 -17.029   0.922  -2.194
  284    HD2  TYR  51          2HD       TYR  51 -16.007   4.135  -4.786
  285    HE1  TYR  51          1HE       TYR  51 -19.243   1.925  -1.818
  286    HE2  TYR  51          2HE       TYR  51 -18.211   5.146  -4.414
  287    HH   TYR  51           HH       TYR  51 -20.227   4.338  -1.953
  288    H    TYR  52           H        TYR  52 -13.419   1.805  -1.248
  289    HA   TYR  52           HA       TYR  52 -14.745   3.755   0.313
  290    HD1  TYR  52          1HD       TYR  52 -14.639   1.166   3.567
  291    HD2  TYR  52          2HD       TYR  52 -15.695   1.645  -0.516
  292    HE1  TYR  52          1HE       TYR  52 -16.809   0.097   4.012
  293    HE2  TYR  52          2HE       TYR  52 -17.866   0.573  -0.091
  294    HH   TYR  52           HH       TYR  52 -19.362   0.074   1.658
  295    H    ALA  53           H        ALA  53 -11.310   3.244  -0.417
  296    HA   ALA  53           HA       ALA  53 -10.315   5.253   1.295
  297   1HB   ALA  53          3HB       ALA  53  -9.148   3.360  -0.223
  298   2HB   ALA  53          1HB       ALA  53  -8.832   4.788  -1.206
  299   3HB   ALA  53          2HB       ALA  53  -8.286   4.733   0.469
  300    H    ARG  54           H        ARG  54 -11.409   5.330  -2.065
  301    HA   ARG  54           HA       ARG  54 -10.612   7.970  -2.640
  302    HE   ARG  54           HE       ARG  54  -9.130   7.322  -3.249
  303   1HH1  ARG  54          2HH1      ARG  54  -8.536   9.247  -6.097
  304   2HH1  ARG  54          1HH1      ARG  54  -7.400  10.301  -5.310
  305   1HH2  ARG  54          2HH2      ARG  54  -7.586   8.650  -2.214
  306   2HH2  ARG  54          1HH2      ARG  54  -6.850   9.960  -3.096
  307    H    LEU  55           H        LEU  55 -13.567   6.664  -1.225
  308    HA   LEU  55           HA       LEU  55 -15.061   9.059  -1.180
  309    HG   LEU  55           HG       LEU  55 -15.578   6.062  -1.619
  310   1HD1  LEU  55          3HD1      LEU  55 -16.788   5.288   0.668
  311   2HD1  LEU  55          1HD1      LEU  55 -18.186   5.753  -0.301
  312   3HD1  LEU  55          2HD1      LEU  55 -17.063   4.532  -0.902
  313   1HD2  LEU  55          2HD2      LEU  55 -16.653   8.268  -2.212
  314   2HD2  LEU  55          3HD2      LEU  55 -17.502   6.824  -2.766
  315   3HD2  LEU  55          1HD2      LEU  55 -18.083   7.703  -1.352
  316    H    SER  56           H        SER  56 -12.942   7.542   1.203
  317    HA   SER  56           HA       SER  56 -13.234   9.547   3.172
  318    HG   SER  56           HG       SER  56 -12.200   6.132   3.799
  319    H    GLY  57           H        GLY  57 -10.533   8.862   0.925
  320   1HA   GLY  57          2HA       GLY  57  -9.417  11.506   1.540
  321   2HA   GLY  57          1HA       GLY  57  -9.862  11.158  -0.127
  322    H    ILE  58           H        ILE  58  -8.761   8.518   1.726
  323    HA   ILE  58           HA       ILE  58  -5.986   8.761   1.517
  324    HB   ILE  58           HB       ILE  58  -7.590   6.197   1.569
  325   1HG2  ILE  58          2HG2      ILE  58  -4.861   6.576   1.255
  326   2HG2  ILE  58          3HG2      ILE  58  -5.056   6.196   2.966
  327   3HG2  ILE  58          1HG2      ILE  58  -5.668   5.087   1.739
  328   1HD1  ILE  58          2HD1      ILE  58  -8.038   5.267   3.874
  329   2HD1  ILE  58          3HD1      ILE  58  -6.416   5.553   4.500
  330   3HD1  ILE  58          1HD1      ILE  58  -7.808   6.294   5.289
  331    HA   PRO  59           HA       PRO  59  -5.446   7.898  -2.841
  332    H    VAL  60           H        VAL  60  -5.069   6.096  -4.045
  333    HA   VAL  60           HA       VAL  60  -3.873   3.783  -2.646
  334    HB   VAL  60           HB       VAL  60  -5.927   3.717  -4.865
  335   1HG1  VAL  60          1HG1      VAL  60  -4.308   1.795  -4.716
  336   2HG1  VAL  60          2HG1      VAL  60  -4.989   1.446  -3.125
  337   3HG1  VAL  60          3HG1      VAL  60  -6.012   1.367  -4.559
  338   1HG2  VAL  60          1HG2      VAL  60  -6.294   4.224  -2.121
  339   2HG2  VAL  60          2HG2      VAL  60  -7.527   3.888  -3.336
  340   3HG2  VAL  60          3HG2      VAL  60  -6.823   2.565  -2.404
  341    H    TYR  61           H        TYR  61  -2.042   3.023  -3.470
  342    HA   TYR  61           HA       TYR  61  -1.217   3.897  -6.148
  343    HD1  TYR  61          1HD       TYR  61   0.938   4.875  -6.882
  344    HD2  TYR  61          2HD       TYR  61   2.206   1.440  -4.717
  345    HE1  TYR  61          1HE       TYR  61   2.813   4.586  -8.444
  346    HE2  TYR  61          2HE       TYR  61   4.082   1.142  -6.275
  347    HH   TYR  61           HH       TYR  61   5.054   3.539  -8.452
  348    H    GLU  62           H        GLU  62  -1.005   2.512  -7.791
  349    HA   GLU  62           HA       GLU  62  -1.831  -0.243  -7.438
  350    H    PHE  63           H        PHE  63  -0.439  -1.818  -6.972
  351    HA   PHE  63           HA       PHE  63   2.417  -1.362  -7.275
  352    HD1  PHE  63          1HD       PHE  63   4.266  -2.194  -6.585
  353    HD2  PHE  63          2HD       PHE  63   1.992  -5.610  -5.463
  354    HE1  PHE  63          1HE       PHE  63   6.326  -3.536  -6.489
  355    HE2  PHE  63          2HE       PHE  63   4.047  -6.954  -5.370
  356    HZ   PHE  63           HZ       PHE  63   6.210  -5.924  -5.970
  357    H    GLU  64           H        GLU  64   3.472  -1.894  -8.982
  358    HA   GLU  64           HA       GLU  64   2.363  -3.555 -11.048
  359    H    GLY  65           H        GLY  65   2.279  -5.357  -9.248
  360   1HA   GLY  65          2HA       GLY  65   4.548  -6.747  -8.435
  361   2HA   GLY  65          1HA       GLY  65   4.164  -7.324 -10.048
  362    H    THR  66           H        THR  66   4.137  -8.730  -7.483
  363    HA   THR  66           HA       THR  66   1.317  -9.583  -7.444
  364    HB   THR  66           HB       THR  66   2.307 -11.883  -6.893
  365    HG1  THR  66          1HG       THR  66   4.609 -10.960  -8.260
  366   1HG2  THR  66          3HG2      THR  66   2.160 -10.511  -9.492
  367   2HG2  THR  66          2HG2      THR  66   3.110 -11.999  -9.481
  368   3HG2  THR  66          1HG2      THR  66   1.424 -12.024  -8.962
  369    H    SER  67           H        SER  67   0.692 -10.780  -5.464
  370    HA   SER  67           HA       SER  67   1.162  -9.293  -3.152
  371    HG   SER  67           HG       SER  67  -1.734 -10.271  -2.882
  372    H    VAL  68           H        VAL  68   2.581 -12.384  -4.182
  373    HA   VAL  68           HA       VAL  68   4.048 -12.852  -1.815
  374    HB   VAL  68           HB       VAL  68   4.577 -13.802  -4.638
  375   1HG1  VAL  68          3HG1      VAL  68   6.122 -14.136  -2.167
  376   2HG1  VAL  68          1HG1      VAL  68   5.745 -15.645  -3.002
  377   3HG1  VAL  68          2HG1      VAL  68   6.606 -14.357  -3.848
  378   1HG2  VAL  68          3HG2      VAL  68   2.515 -14.441  -2.976
  379   2HG2  VAL  68          1HG2      VAL  68   3.146 -15.484  -4.249
  380   3HG2  VAL  68          2HG2      VAL  68   3.692 -15.694  -2.587
  381    H    GLU  69           H        GLU  69   4.908 -11.254  -4.860
  382    HA   GLU  69           HA       GLU  69   7.607 -10.755  -4.301
  383    H    LEU  70           H        LEU  70   4.715  -8.813  -3.720
  384    HA   LEU  70           HA       LEU  70   5.967  -6.563  -2.589
  385    HG   LEU  70           HG       LEU  70   3.718  -5.855  -0.499
  386   1HD1  LEU  70          1HD1      LEU  70   5.270  -4.820  -2.452
  387   2HD1  LEU  70          2HD1      LEU  70   3.821  -3.829  -2.629
  388   3HD1  LEU  70          3HD1      LEU  70   4.660  -3.894  -1.079
  389   1HD2  LEU  70          1HD2      LEU  70   1.459  -6.208  -1.602
  390   2HD2  LEU  70          2HD2      LEU  70   1.753  -4.612  -0.909
  391   3HD2  LEU  70          3HD2      LEU  70   1.874  -4.853  -2.654
  392    H    GLY  71           H        GLY  71   4.491  -9.419  -1.063
  393   1HA   GLY  71          2HA       GLY  71   4.776 -10.353   1.013
  394   2HA   GLY  71          1HA       GLY  71   5.002  -8.714   1.607
  395    H    THR  72           H        THR  72   6.942 -10.602  -0.672
  396    HA   THR  72           HA       THR  72   9.029 -11.256   1.098
  397    HB   THR  72           HB       THR  72   9.219 -10.861  -1.899
  398    HG1  THR  72          1HG       THR  72   7.628 -12.373  -1.536
  399   1HG2  THR  72          2HG2      THR  72  11.397 -11.042  -0.788
  400   2HG2  THR  72          1HG2      THR  72  10.878 -12.533  -0.005
  401   3HG2  THR  72          3HG2      THR  72  11.059 -12.475  -1.757
  402    H    LEU  73           H        LEU  73   8.441  -8.456  -0.961
  403    HA   LEU  73           HA       LEU  73  10.953  -7.201  -0.608
  404    HG   LEU  73           HG       LEU  73   9.838  -4.203  -0.587
  405   1HD1  LEU  73          1HD1      LEU  73  11.832  -5.715  -1.275
  406   2HD1  LEU  73          2HD1      LEU  73  11.584  -5.011  -2.872
  407   3HD1  LEU  73          3HD1      LEU  73  11.949  -3.969  -1.496
  408   1HD2  LEU  73          2HD2      LEU  73   8.382  -4.425  -2.940
  409   2HD2  LEU  73          3HD2      LEU  73   9.010  -2.942  -2.220
  410   3HD2  LEU  73          1HD2      LEU  73   9.951  -3.797  -3.444
  411    H    LEU  74           H        LEU  74   7.936  -7.125   1.207
  412    HA   LEU  74           HA       LEU  74   8.664  -5.123   3.061
  413    HG   LEU  74           HG       LEU  74   6.033  -5.646   1.727
  414   1HD1  LEU  74          1HD1      LEU  74   4.436  -6.921   3.184
  415   2HD1  LEU  74          2HD1      LEU  74   4.452  -5.539   4.282
  416   3HD1  LEU  74          3HD1      LEU  74   3.863  -5.347   2.630
  417   1HD2  LEU  74          1HD2      LEU  74   7.106  -3.988   3.805
  418   2HD2  LEU  74          2HD2      LEU  74   6.579  -3.545   2.182
  419   3HD2  LEU  74          3HD2      LEU  74   5.418  -3.571   3.508
  420    H    GLY  75           H        GLY  75   9.272  -8.603   2.971
  421   1HA   GLY  75          2HA       GLY  75  10.721  -8.405   5.519
  422   2HA   GLY  75          1HA       GLY  75  11.636  -8.783   4.069
  423    H    ARG  76           H        ARG  76   8.567  -9.867   5.502
  424    HA   ARG  76           HA       ARG  76   9.554 -12.550   5.872
  425    HE   ARG  76           HE       ARG  76   8.597 -10.932  10.556
  426   1HH1  ARG  76          2HH1      ARG  76   9.885  -9.312   7.730
  427   2HH1  ARG  76          1HH1      ARG  76  10.061  -7.777   8.522
  428   1HH2  ARG  76          2HH2      ARG  76   8.831  -8.912  11.608
  429   2HH2  ARG  76          1HH2      ARG  76   9.501  -7.562  10.741
  430    HA   PRO  77           HA       PRO  77   8.105 -14.191   1.958
  431    H    HIS  78           H        HIS  78   6.244 -13.275   4.397
  432    HA   HIS  78           HA       HIS  78   3.793 -14.698   4.011
  433    HD1  HIS  78          1HD       HIS  78   3.817 -12.164   7.957
  434    HD2  HIS  78          2HD       HIS  78   5.098 -15.586   5.965
  435    HE1  HIS  78          1HE       HIS  78   4.659 -13.716   9.744
  436    HE2  HIS  78          2HE       HIS  78   5.327 -15.823   8.532
  437    H    THR  79           H        THR  79   2.144 -14.278   2.644
  438    HA   THR  79           HA       THR  79   2.655 -12.642   0.365
  439    HB   THR  79           HB       THR  79   0.336 -13.312  -0.306
  440    HG1  THR  79          1HG       THR  79  -0.118 -13.589   2.166
  441   1HG2  THR  79          1HG2      THR  79   2.521 -14.740  -0.542
  442   2HG2  THR  79          3HG2      THR  79   1.725 -15.786   0.635
  443   3HG2  THR  79          2HG2      THR  79   0.952 -15.452  -0.915
  444    H    VAL  80           H        VAL  80   2.177 -10.530   0.102
  445    HA   VAL  80           HA       VAL  80   0.066  -9.373   1.799
  446    HB   VAL  80           HB       VAL  80   2.668  -8.034   1.028
  447   1HG1  VAL  80          3HG1      VAL  80   0.292  -6.768   1.298
  448   2HG1  VAL  80          1HG1      VAL  80   0.866  -6.749   2.965
  449   3HG1  VAL  80          2HG1      VAL  80   1.851  -6.038   1.686
  450   1HG2  VAL  80          2HG2      VAL  80   2.567  -9.773   2.941
  451   2HG2  VAL  80          3HG2      VAL  80   3.344  -8.220   3.239
  452   3HG2  VAL  80          1HG2      VAL  80   1.706  -8.509   3.820
  453    H    SER  81           H        SER  81  -1.547  -8.667   0.617
  454    HA   SER  81           HA       SER  81  -1.126  -8.144  -2.224
  455    HG   SER  81           HG       SER  81  -3.632 -10.449  -1.061
  456    H    ALA  82           H        ALA  82  -1.952  -6.519   0.739
  457    HA   ALA  82           HA       ALA  82  -1.739  -3.952  -0.590
  458   1HB   ALA  82          3HB       ALA  82  -4.256  -5.054  -0.247
  459   2HB   ALA  82          1HB       ALA  82  -4.092  -3.922   1.096
  460   3HB   ALA  82          2HB       ALA  82  -3.883  -3.360  -0.563
  461    H    LEU  83           H        LEU  83  -1.078  -2.335   0.728
  462    HA   LEU  83           HA       LEU  83  -0.983  -2.764   3.612
  463    HG   LEU  83           HG       LEU  83   1.725  -0.950   1.747
  464   1HD1  LEU  83          2HD1      LEU  83   3.454  -2.625   3.115
  465   2HD1  LEU  83          3HD1      LEU  83   3.826  -2.914   1.415
  466   3HD1  LEU  83          1HD1      LEU  83   3.899  -1.278   2.070
  467   1HD2  LEU  83          2HD2      LEU  83   1.109  -3.503   0.456
  468   2HD2  LEU  83          3HD2      LEU  83   1.036  -1.860  -0.183
  469   3HD2  LEU  83          1HD2      LEU  83   2.574  -2.722  -0.148
  470    H    ALA  84           H        ALA  84  -1.179  -0.918   4.748
  471    HA   ALA  84           HA       ALA  84  -1.360   1.558   3.163
  472   1HB   ALA  84          1HB       ALA  84  -2.677   1.133   5.826
  473   2HB   ALA  84          3HB       ALA  84  -3.420   0.574   4.327
  474   3HB   ALA  84          2HB       ALA  84  -3.088   2.291   4.560
  475    H    VAL  85           H        VAL  85   0.214   2.993   3.482
  476    HA   VAL  85           HA       VAL  85   1.872   2.845   5.854
  477    HB   VAL  85           HB       VAL  85   2.725   3.371   3.491
  478   1HG1  VAL  85          2HG1      VAL  85   0.987   5.539   3.721
  479   2HG1  VAL  85          3HG1      VAL  85   2.625   6.194   3.776
  480   3HG1  VAL  85          1HG1      VAL  85   2.124   5.182   2.421
  481   1HG2  VAL  85          2HG2      VAL  85   4.065   3.529   5.556
  482   2HG2  VAL  85          3HG2      VAL  85   4.540   4.710   4.338
  483   3HG2  VAL  85          1HG2      VAL  85   3.565   5.213   5.716
  484    H    VAL  86           H        VAL  86   1.668   4.061   7.606
  485    HA   VAL  86           HA       VAL  86  -0.518   5.980   7.704
  486    HB   VAL  86           HB       VAL  86   1.264   5.065   9.966
  487   1HG1  VAL  86          2HG1      VAL  86  -1.328   6.576   9.845
  488   2HG1  VAL  86          3HG1      VAL  86  -0.792   5.742  11.306
  489   3HG1  VAL  86          1HG1      VAL  86   0.183   7.044  10.623
  490   1HG2  VAL  86          1HG2      VAL  86  -0.966   3.736   8.610
  491   2HG2  VAL  86          2HG2      VAL  86   0.296   3.067   9.643
  492   3HG2  VAL  86          3HG2      VAL  86  -1.125   3.822  10.364
  493    H    ASP  87           H        ASP  87   2.966   5.824   8.187
  494    HA   ASP  87           HA       ASP  87   3.158   8.643   7.535
  495    HA   PRO  88           HA       PRO  88   6.389   6.516   5.272
  496    H    GLY  89           H        GLY  89   6.659   9.795   6.565
  497   1HA   GLY  89          2HA       GLY  89   9.322   9.277   7.568
  498   2HA   GLY  89          1HA       GLY  89   8.405  10.768   7.742
  499    H    GLU  90           H        GLU  90  11.218  10.032   6.763
  500    HA   GLU  90           HA       GLU  90  11.373  12.035   4.746
  501    H    SER  91           H        SER  91  11.047   8.587   4.733
  502    HA   SER  91           HA       SER  91  11.926   8.015   2.135
  503    HG   SER  91           HG       SER  91  11.223   5.889   4.974
  504    H    ARG  92           H        ARG  92  11.135   8.616   0.256
  505    HA   ARG  92           HA       ARG  92   8.522   9.860   0.131
  506    HE   ARG  92           HE       ARG  92  11.137  14.419  -1.270
  507   1HH1  ARG  92          2HH1      ARG  92  13.288  11.692  -0.738
  508   2HH1  ARG  92          1HH1      ARG  92  14.380  12.595   0.271
  509   1HH2  ARG  92          2HH2      ARG  92  12.542  15.587   0.083
  510   2HH2  ARG  92          1HH2      ARG  92  13.972  14.820   0.715
  511    H    ILE  93           H        ILE  93   7.702   7.527   0.541
  512    HA   ILE  93           HA       ILE  93   7.588   5.814  -1.765
  513    HB   ILE  93           HB       ILE  93   7.408   4.847   0.466
  514   1HG2  ILE  93          2HG2      ILE  93   5.868   6.956   1.139
  515   2HG2  ILE  93          3HG2      ILE  93   4.640   5.709   0.930
  516   3HG2  ILE  93          1HG2      ILE  93   5.964   5.462   2.069
  517   1HD1  ILE  93          2HD1      ILE  93   7.616   3.558  -1.512
  518   2HD1  ILE  93          3HD1      ILE  93   6.431   2.253  -1.423
  519   3HD1  ILE  93          1HD1      ILE  93   6.261   3.519  -2.640
  520    H    LEU  94           H        LEU  94   5.635   8.390  -0.397
  521    HA   LEU  94           HA       LEU  94   3.347   7.971  -2.050
  522    HG   LEU  94           HG       LEU  94   1.862   8.462  -0.379
  523   1HD1  LEU  94          1HD1      LEU  94   4.199   8.818   1.323
  524   2HD1  LEU  94          2HD1      LEU  94   2.674   8.792   2.209
  525   3HD1  LEU  94          3HD1      LEU  94   3.107   7.441   1.160
  526   1HD2  LEU  94          3HD2      LEU  94   2.143  11.208   0.766
  527   2HD2  LEU  94          1HD2      LEU  94   0.800  10.501  -0.136
  528   3HD2  LEU  94          2HD2      LEU  94   1.096  10.013   1.535
  529    H    ALA  95           H        ALA  95   6.436   9.254  -2.675
  530    HA   ALA  95           HA       ALA  95   5.914  11.207  -4.595
  531   1HB   ALA  95          1HB       ALA  95   8.125  11.275  -4.323
  532   2HB   ALA  95          2HB       ALA  95   8.198   9.592  -3.801
  533   3HB   ALA  95          3HB       ALA  95   8.197   9.982  -5.520
  534    H    LEU  96           H        LEU  96   5.840   7.731  -4.800
  535    HA   LEU  96           HA       LEU  96   5.782   7.495  -7.627
  536    HG   LEU  96           HG       LEU  96   7.203   6.052  -5.415
  537   1HD1  LEU  96          3HD1      LEU  96   5.906   3.414  -5.879
  538   2HD1  LEU  96          1HD1      LEU  96   7.660   3.494  -5.697
  539   3HD1  LEU  96          2HD1      LEU  96   6.610   4.081  -4.405
  540   1HD2  LEU  96          2HD2      LEU  96   6.841   5.270  -8.233
  541   2HD2  LEU  96          3HD2      LEU  96   8.071   6.289  -7.484
  542   3HD2  LEU  96          1HD2      LEU  96   8.207   4.532  -7.394
  543    H    GLY  97           H        GLY  97   3.375   8.140  -5.199
  544   1HA   GLY  97          2HA       GLY  97   0.981   8.163  -5.494
  545   2HA   GLY  97          1HA       GLY  97   1.244   8.141  -7.235
  546    H    GLY  98           H        GLY  98   2.869  10.045  -7.827
  547   1HA   GLY  98          2HA       GLY  98   3.150  12.302  -8.101
  548   2HA   GLY  98          1HA       GLY  98   3.043  12.347  -6.351
  549    H    LYS  99           H        LYS  99   0.740  11.878  -9.036
  550    HA   LYS  99           HA       LYS  99  -1.413  13.113  -7.714
  551   1HZ   LYS  99          2HZ       LYS  99  -0.745  19.389  -9.059
  552   2HZ   LYS  99          1HZ       LYS  99  -1.717  19.590  -7.683
  553   3HZ   LYS  99          3HZ       LYS  99  -0.033  19.438  -7.520
  554    H    GLU 100           H        GLU 100   0.074  12.910 -10.937
  555    HA   GLU 100           HA       GLU 100  -1.950  11.186 -11.965

  No H/Q in entry =         555
  Start of MODEL   10
    1    H1   GLY  -2          2H        GLY  -2  12.223  -2.356 -14.253
    2    H2   GLY  -2          1H        GLY  -2  13.737  -1.800 -14.778
    3    H3   GLY  -2          3H        GLY  -2  13.634  -2.867 -13.462
    4   1HA   GLY  -2          1HA       GLY  -2  13.948  -0.283 -13.137
    5   2HA   GLY  -2          2HA       GLY  -2  13.045  -1.277 -11.999
    6    H    SER  -1           H        SER  -1  10.684  -1.716 -13.260
    7    HA   SER  -1           HA       SER  -1   9.629   0.824 -14.194
    8    HG   SER  -1           HG       SER  -1   7.850  -2.291 -13.005
    9    H    VAL   1           H        VAL   1   8.927   2.313 -12.830
   10    HA   VAL   1           HA       VAL   1   8.549   3.325 -10.805
   11    HB   VAL   1           HB       VAL   1   6.241   2.760  -9.919
   12   1HG1  VAL   1          3HG1      VAL   1   7.032   3.835 -12.509
   13   2HG1  VAL   1          1HG1      VAL   1   5.354   3.297 -12.459
   14   3HG1  VAL   1          2HG1      VAL   1   5.932   4.488 -11.296
   15   1HG2  VAL   1          2HG2      VAL   1   6.631   0.471 -11.620
   16   2HG2  VAL   1          3HG2      VAL   1   5.333   0.806 -10.476
   17   3HG2  VAL   1          1HG2      VAL   1   5.218   1.389 -12.136
   18    H    ASP   2           H        ASP   2  10.467   1.821 -10.096
   19    HA   ASP   2           HA       ASP   2   9.782  -0.186  -8.155
   20    H    PHE   3           H        PHE   3   9.962  -0.112  -5.971
   21    HA   PHE   3           HA       PHE   3  10.955   2.260  -4.660
   22    HD1  PHE   3          1HD       PHE   3   8.567  -0.537  -3.923
   23    HD2  PHE   3          2HD       PHE   3   6.382   2.936  -5.055
   24    HE1  PHE   3          1HE       PHE   3   6.549  -1.898  -4.184
   25    HE2  PHE   3          2HE       PHE   3   4.355   1.572  -5.325
   26    HZ   PHE   3           HZ       PHE   3   4.434  -0.848  -4.884
   27    H    ALA   4           H        ALA   4  11.791  -0.418  -4.848
   28    HA   ALA   4           HA       ALA   4  10.975  -2.062  -2.739
   29   1HB   ALA   4          1HB       ALA   4  13.097  -2.009  -4.710
   30   2HB   ALA   4          2HB       ALA   4  13.646  -2.676  -3.174
   31   3HB   ALA   4          3HB       ALA   4  12.255  -3.382  -3.995
   32    H    PHE   5           H        PHE   5  13.740   0.163  -2.939
   33    HA   PHE   5           HA       PHE   5  14.568  -0.208  -0.239
   34    HD1  PHE   5          1HD       PHE   5  16.546   0.304   0.793
   35    HD2  PHE   5          2HD       PHE   5  15.994   3.981  -1.276
   36    HE1  PHE   5          1HE       PHE   5  17.787   1.481   2.559
   37    HE2  PHE   5          2HE       PHE   5  17.235   5.165   0.487
   38    HZ   PHE   5           HZ       PHE   5  18.096   3.920   2.429
   39    H    GLU   6           H        GLU   6  12.463   2.040  -1.908
   40    HA   GLU   6           HA       GLU   6  12.101   3.837   0.203
   41    H    LEU   7           H        LEU   7  10.282   0.893  -0.663
   42    HA   LEU   7           HA       LEU   7   8.339   1.208   1.397
   43    HG   LEU   7           HG       LEU   7   7.644   0.219  -1.436
   44   1HD1  LEU   7          2HD1      LEU   7   6.284  -2.136  -0.131
   45   2HD1  LEU   7          3HD1      LEU   7   5.717  -1.316  -1.587
   46   3HD1  LEU   7          1HD1      LEU   7   7.265  -2.162  -1.599
   47   1HD2  LEU   7          3HD2      LEU   7   6.647   0.765   1.187
   48   2HD2  LEU   7          1HD2      LEU   7   6.275   1.574  -0.333
   49   3HD2  LEU   7          2HD2      LEU   7   5.333   0.173   0.172
   50    H    ARG   8           H        ARG   8  11.339  -0.733   1.195
   51    HA   ARG   8           HA       ARG   8  11.037  -1.877   3.740
   52    HE   ARG   8           HE       ARG   8  16.686  -1.516   3.287
   53   1HH1  ARG   8          2HH1      ARG   8  14.617  -4.272   2.698
   54   2HH1  ARG   8          1HH1      ARG   8  14.778  -4.906   4.310
   55   1HH2  ARG   8          2HH2      ARG   8  16.912  -2.337   5.405
   56   2HH2  ARG   8          1HH2      ARG   8  16.090  -3.801   5.859
   57    H    LYS   9           H        LYS   9  12.497   1.156   2.733
   58    HA   LYS   9           HA       LYS   9  13.534   1.785   5.332
   59   1HZ   LYS   9          2HZ       LYS   9  14.300   5.100   7.183
   60   2HZ   LYS   9          1HZ       LYS   9  15.124   3.970   8.142
   61   3HZ   LYS   9          3HZ       LYS   9  15.635   5.589   8.101
   62    H    ALA  10           H        ALA  10  10.549   2.398   3.581
   63    HA   ALA  10           HA       ALA  10   9.470   4.362   5.273
   64   1HB   ALA  10          1HB       ALA  10   7.240   3.204   4.376
   65   2HB   ALA  10          2HB       ALA  10   8.239   4.257   3.375
   66   3HB   ALA  10          3HB       ALA  10   8.392   2.506   3.239
   67    H    GLN  11           H        GLN  11   9.328   0.834   5.386
   68    HA   GLN  11           HA       GLN  11   7.555   0.604   7.565
   69   1HE2  GLN  11          1HE2      GLN  11   6.184  -3.702   6.359
   70   2HE2  GLN  11          2HE2      GLN  11   4.987  -3.199   7.498
   71    H    ASP  12           H        ASP  12  11.002   1.160   7.388
   72    HA   ASP  12           HA       ASP  12  11.501   0.773  10.178
   73    H    THR  13           H        THR  13  11.300   3.670   8.106
   74    HA   THR  13           HA       THR  13  11.619   5.434  10.342
   75    HB   THR  13           HB       THR  13  10.748   6.074   7.520
   76    HG1  THR  13          1HG       THR  13  13.296   5.895   8.783
   77   1HG2  THR  13          2HG2      THR  13  10.927   7.696   9.853
   78   2HG2  THR  13          1HG2      THR  13  12.231   8.158   8.756
   79   3HG2  THR  13          3HG2      THR  13  10.559   8.188   8.199
   80    H    GLY  14           H        GLY  14   8.893   4.847   8.112
   81   1HA   GLY  14          2HA       GLY  14   6.695   5.696   8.368
   82   2HA   GLY  14          1HA       GLY  14   7.090   6.144  10.022
   83    H    LYS  15           H        LYS  15   5.146   4.231   8.398
   84    HA   LYS  15           HA       LYS  15   5.611   1.663   9.453
   85   1HZ   LYS  15          2HZ       LYS  15   7.485  -0.859  12.064
   86   2HZ   LYS  15          1HZ       LYS  15   7.970   0.422  11.062
   87   3HZ   LYS  15          3HZ       LYS  15   8.313   0.470  12.720
   88    H    ILE  16           H        ILE  16   4.494   0.232   8.313
   89    HA   ILE  16           HA       ILE  16   2.152   1.168   6.788
   90    HB   ILE  16           HB       ILE  16   4.416  -0.613   5.863
   91   1HG2  ILE  16          1HG2      ILE  16   2.023  -1.323   5.224
   92   2HG2  ILE  16          2HG2      ILE  16   2.074   0.072   4.145
   93   3HG2  ILE  16          3HG2      ILE  16   3.256  -1.224   3.967
   94   1HD1  ILE  16          3HD1      ILE  16   6.203   0.961   5.478
   95   2HD1  ILE  16          1HD1      ILE  16   5.849   2.615   4.979
   96   3HD1  ILE  16          2HD1      ILE  16   5.360   2.054   6.576
   97    H    VAL  17           H        VAL  17   0.374  -0.071   7.008
   98    HA   VAL  17           HA       VAL  17   0.559  -2.514   8.572
   99    HB   VAL  17           HB       VAL  17  -1.343  -0.827   8.816
  100   1HG1  VAL  17          2HG1      VAL  17  -1.643  -0.978   6.168
  101   2HG1  VAL  17          3HG1      VAL  17  -2.816  -2.199   6.662
  102   3HG1  VAL  17          1HG1      VAL  17  -2.953  -0.549   7.265
  103   1HG2  VAL  17          2HG2      VAL  17  -1.412  -3.733   8.796
  104   2HG2  VAL  17          3HG2      VAL  17  -1.995  -2.592  10.009
  105   3HG2  VAL  17          1HG2      VAL  17  -3.010  -3.004   8.626
  106    H    MET  18           H        MET  18   0.575  -4.519   7.741
  107    HA   MET  18           HA       MET  18   0.316  -4.732   4.818
  108   1HE   MET  18          3HE       MET  18   3.611  -6.722   9.361
  109   2HE   MET  18          1HE       MET  18   4.883  -7.882   8.977
  110   3HE   MET  18          2HE       MET  18   5.265  -6.165   9.106
  111    H    GLY  19           H        GLY  19  -1.091  -6.083   3.988
  112   1HA   GLY  19          2HA       GLY  19  -2.863  -7.527   5.736
  113   2HA   GLY  19          1HA       GLY  19  -1.875  -8.583   4.732
  114    H    ALA  20           H        ALA  20  -4.789  -7.202   4.933
  115    HA   ALA  20           HA       ALA  20  -5.127  -6.219   2.263
  116   1HB   ALA  20          1HB       ALA  20  -6.101  -7.951   1.207
  117   2HB   ALA  20          3HB       ALA  20  -6.895  -8.538   2.667
  118   3HB   ALA  20          2HB       ALA  20  -5.199  -8.920   2.370
  119    H    ARG  21           H        ARG  21  -7.006  -7.817   4.836
  120    HA   ARG  21           HA       ARG  21  -9.207  -6.010   4.613
  121    HE   ARG  21           HE       ARG  21 -10.421 -10.057   3.344
  122   1HH1  ARG  21          2HH1      ARG  21  -7.739 -11.729   4.862
  123   2HH1  ARG  21          1HH1      ARG  21  -7.752 -13.050   3.729
  124   1HH2  ARG  21          2HH2      ARG  21 -10.423 -11.768   1.824
  125   2HH2  ARG  21          1HH2      ARG  21  -9.272 -13.067   1.991
  126    H    LYS  22           H        LYS  22  -6.293  -6.160   6.528
  127    HA   LYS  22           HA       LYS  22  -6.884  -4.149   8.406
  128   1HZ   LYS  22          2HZ       LYS  22  -6.451  -5.931  12.589
  129   2HZ   LYS  22          1HZ       LYS  22  -6.681  -4.272  12.320
  130   3HZ   LYS  22          3HZ       LYS  22  -7.987  -5.348  12.166
  131    H    SER  23           H        SER  23  -5.511  -4.025   5.157
  132    HA   SER  23           HA       SER  23  -5.056  -1.233   5.089
  133    HG   SER  23           HG       SER  23  -5.422  -0.694   2.468
  134    H    ILE  24           H        ILE  24  -7.808  -3.276   4.228
  135    HA   ILE  24           HA       ILE  24  -9.405  -1.309   3.006
  136    HB   ILE  24           HB       ILE  24 -10.317  -3.698   4.625
  137   1HG2  ILE  24          1HG2      ILE  24 -11.925  -1.703   4.014
  138   2HG2  ILE  24          2HG2      ILE  24 -11.931  -2.487   2.434
  139   3HG2  ILE  24          3HG2      ILE  24 -12.456  -3.379   3.863
  140   1HD1  ILE  24          2HD1      ILE  24 -10.909  -5.689   3.286
  141   2HD1  ILE  24          3HD1      ILE  24 -11.648  -4.945   1.869
  142   3HD1  ILE  24          1HD1      ILE  24 -10.183  -5.909   1.694
  143    H    GLN  25           H        GLN  25  -9.192  -2.384   6.390
  144    HA   GLN  25           HA       GLN  25 -11.168  -0.677   7.410
  145   1HE2  GLN  25          1HE2      GLN  25  -9.093  -3.167  10.236
  146   2HE2  GLN  25          2HE2      GLN  25  -9.147  -3.402  11.950
  147    H    TYR  26           H        TYR  26  -7.685  -0.201   7.014
  148    HA   TYR  26           HA       TYR  26  -7.521   2.303   8.280
  149    HD1  TYR  26          1HD       TYR  26  -6.603  -0.192   8.865
  150    HD2  TYR  26          2HD       TYR  26  -3.476   2.498   7.830
  151    HE1  TYR  26          1HE       TYR  26  -5.310  -0.951  10.816
  152    HE2  TYR  26          2HE       TYR  26  -2.178   1.751   9.775
  153    HH   TYR  26           HH       TYR  26  -2.440  -0.869  11.273
  154    H    ALA  27           H        ALA  27  -8.363   1.395   4.991
  155    HA   ALA  27           HA       ALA  27  -8.480   4.039   3.933
  156   1HB   ALA  27          2HB       ALA  27  -9.307   1.343   3.070
  157   2HB   ALA  27          3HB       ALA  27 -10.210   2.686   2.372
  158   3HB   ALA  27          1HB       ALA  27  -8.457   2.608   2.182
  159    H    LYS  28           H        LYS  28 -10.832   1.864   5.402
  160    HA   LYS  28           HA       LYS  28 -13.118   3.449   5.006
  161   1HZ   LYS  28          2HZ       LYS  28 -14.561  -2.270   7.801
  162   2HZ   LYS  28          1HZ       LYS  28 -16.198  -1.835   7.881
  163   3HZ   LYS  28          3HZ       LYS  28 -15.592  -2.611   6.499
  164    H    MET  29           H        MET  29 -10.982   3.147   7.838
  165    HA   MET  29           HA       MET  29 -12.425   5.158   9.289
  166   1HE   MET  29          2HE       MET  29  -6.665   3.584   9.907
  167   2HE   MET  29          3HE       MET  29  -6.143   3.844  11.573
  168   3HE   MET  29          1HE       MET  29  -6.380   2.205  10.971
  169    H    GLY  30           H        GLY  30  -9.966   5.216   6.946
  170   1HA   GLY  30          2HA       GLY  30  -9.813   8.069   6.993
  171   2HA   GLY  30          1HA       GLY  30  -8.893   6.994   5.951
  172    H    GLY  31           H        GLY  31  -7.546   5.472   7.809
  173   1HA   GLY  31          2HA       GLY  31  -6.221   5.892   9.866
  174   2HA   GLY  31          1HA       GLY  31  -5.918   7.500   9.222
  175    H    ALA  32           H        ALA  32  -5.216   7.099   6.679
  176    HA   ALA  32           HA       ALA  32  -2.607   5.903   6.939
  177   1HB   ALA  32          1HB       ALA  32  -2.797   4.363   5.100
  178   2HB   ALA  32          3HB       ALA  32  -4.465   4.851   4.806
  179   3HB   ALA  32          2HB       ALA  32  -4.048   3.980   6.283
  180    H    LYS  33           H        LYS  33  -1.153   6.848   5.565
  181    HA   LYS  33           HA       LYS  33  -1.989   9.270   4.287
  182   1HZ   LYS  33          2HZ       LYS  33  -0.378  13.580   4.639
  183   2HZ   LYS  33          1HZ       LYS  33   0.975  14.254   3.870
  184   3HZ   LYS  33          3HZ       LYS  33  -0.527  14.244   3.084
  185    H    LEU  34           H        LEU  34  -0.547   6.225   3.138
  186    HA   LEU  34           HA       LEU  34  -1.811   6.679   0.526
  187    HG   LEU  34           HG       LEU  34   0.186   4.898  -1.080
  188   1HD1  LEU  34          1HD1      LEU  34  -0.531   7.725  -1.806
  189   2HD1  LEU  34          2HD1      LEU  34  -0.375   6.433  -2.995
  190   3HD1  LEU  34          3HD1      LEU  34  -1.588   6.316  -1.722
  191   1HD2  LEU  34          2HD2      LEU  34   2.540   5.868  -0.845
  192   2HD2  LEU  34          3HD2      LEU  34   1.967   5.499  -2.471
  193   3HD2  LEU  34          1HD2      LEU  34   1.974   7.167  -1.894
  194    H    ILE  35           H        ILE  35  -2.569   4.823  -0.408
  195    HA   ILE  35           HA       ILE  35  -1.885   2.304   0.966
  196    HB   ILE  35           HB       ILE  35  -4.462   3.026  -0.439
  197   1HG2  ILE  35          3HG2      ILE  35  -3.388   0.536  -0.317
  198   2HG2  ILE  35          1HG2      ILE  35  -4.338   0.575   1.170
  199   3HG2  ILE  35          2HG2      ILE  35  -5.117   0.878  -0.382
  200   1HD1  ILE  35          1HD1      ILE  35  -6.172   1.826   1.654
  201   2HD1  ILE  35          2HD1      ILE  35  -6.095   2.974   2.992
  202   3HD1  ILE  35          3HD1      ILE  35  -6.433   3.545   1.359
  203    H    ILE  36           H        ILE  36  -1.161   0.623  -0.237
  204    HA   ILE  36           HA       ILE  36  -1.130   0.959  -3.171
  205    HB   ILE  36           HB       ILE  36   1.077  -0.247  -1.485
  206   1HG2  ILE  36          3HG2      ILE  36   0.460  -0.925  -4.026
  207   2HG2  ILE  36          1HG2      ILE  36   1.558   0.426  -4.308
  208   3HG2  ILE  36          2HG2      ILE  36   2.094  -0.962  -3.363
  209   1HD1  ILE  36          3HD1      ILE  36   3.271   1.238  -2.941
  210   2HD1  ILE  36          1HD1      ILE  36   3.189   2.806  -2.139
  211   3HD1  ILE  36          2HD1      ILE  36   3.155   1.324  -1.182
  212    H    VAL  37           H        VAL  37  -1.926  -0.723  -4.285
  213    HA   VAL  37           HA       VAL  37  -2.335  -3.262  -2.835
  214    HB   VAL  37           HB       VAL  37  -4.381  -3.601  -4.216
  215   1HG1  VAL  37          3HG1      VAL  37  -4.098  -2.142  -1.921
  216   2HG1  VAL  37          1HG1      VAL  37  -5.036  -1.056  -2.947
  217   3HG1  VAL  37          2HG1      VAL  37  -5.632  -2.683  -2.607
  218   1HG2  VAL  37          3HG2      VAL  37  -3.838  -0.762  -5.077
  219   2HG2  VAL  37          1HG2      VAL  37  -3.935  -2.193  -6.105
  220   3HG2  VAL  37          2HG2      VAL  37  -5.382  -1.587  -5.299
  221    H    ALA  38           H        ALA  38  -1.663  -5.096  -3.833
  222    HA   ALA  38           HA       ALA  38  -0.019  -4.875  -6.185
  223   1HB   ALA  38          1HB       ALA  38   0.879  -6.678  -5.262
  224   2HB   ALA  38          2HB       ALA  38  -0.443  -6.780  -4.101
  225   3HB   ALA  38          3HB       ALA  38  -0.579  -7.586  -5.662
  226    H    ARG  39           H        ARG  39  -0.569  -5.240  -8.276
  227    HA   ARG  39           HA       ARG  39  -3.264  -5.429  -9.035
  228    HE   ARG  39           HE       ARG  39   1.287  -8.602 -11.485
  229   1HH1  ARG  39          2HH1      ARG  39   0.488  -5.799 -13.448
  230   2HH1  ARG  39          1HH1      ARG  39   2.086  -5.664 -14.126
  231   1HH2  ARG  39          2HH2      ARG  39   3.377  -8.431 -12.395
  232   2HH2  ARG  39          1HH2      ARG  39   3.708  -7.176 -13.560
  233    H    ASN  40           H        ASN  40  -0.897  -7.847  -8.364
  234    HA   ASN  40           HA       ASN  40  -2.204 -10.062  -9.591
  235   1HD2  ASN  40          1HD2      ASN  40  -0.314 -11.969  -6.323
  236   2HD2  ASN  40          2HD2      ASN  40  -0.488 -13.493  -7.134
  237    H    ALA  41           H        ALA  41  -2.615  -8.364  -6.603
  238    HA   ALA  41           HA       ALA  41  -3.793 -10.374  -5.038
  239   1HB   ALA  41          1HB       ALA  41  -3.498  -7.466  -4.902
  240   2HB   ALA  41          2HB       ALA  41  -4.933  -8.089  -4.087
  241   3HB   ALA  41          3HB       ALA  41  -3.335  -8.688  -3.640
  242    H    ARG  42           H        ARG  42  -5.989 -10.610  -4.381
  243    HA   ARG  42           HA       ARG  42  -7.811 -10.954  -6.459
  244    HE   ARG  42           HE       ARG  42  -6.769 -12.990  -6.518
  245   1HH1  ARG  42          2HH1      ARG  42  -9.811 -14.506  -7.425
  246   2HH1  ARG  42          1HH1      ARG  42  -9.318 -14.787  -9.073
  247   1HH2  ARG  42          2HH2      ARG  42  -6.118 -13.400  -8.668
  248   2HH2  ARG  42          1HH2      ARG  42  -7.221 -14.169  -9.776
  249    HA   PRO  43           HA       PRO  43  -9.224  -6.898  -7.444
  250    H    ASP  44           H        ASP  44 -11.294  -9.022  -5.537
  251    HA   ASP  44           HA       ASP  44 -13.193  -7.231  -4.637
  252    H    ILE  45           H        ILE  45  -9.957  -7.825  -3.406
  253    HA   ILE  45           HA       ILE  45 -10.204  -6.152  -1.111
  254    HB   ILE  45           HB       ILE  45  -7.751  -7.175  -2.550
  255   1HG2  ILE  45          1HG2      ILE  45  -7.701  -5.074  -0.891
  256   2HG2  ILE  45          2HG2      ILE  45  -7.581  -6.384   0.286
  257   3HG2  ILE  45          3HG2      ILE  45  -6.391  -6.250  -1.011
  258   1HD1  ILE  45          1HD1      ILE  45  -9.692  -7.184   0.468
  259   2HD1  ILE  45          2HD1      ILE  45 -10.279  -8.833   0.250
  260   3HD1  ILE  45          3HD1      ILE  45  -8.798  -8.537   1.161
  261    H    LYS  46           H        LYS  46  -8.643  -5.746  -4.281
  262    HA   LYS  46           HA       LYS  46  -7.666  -3.171  -3.829
  263   1HZ   LYS  46          2HZ       LYS  46  -5.070  -4.683  -9.443
  264   2HZ   LYS  46          1HZ       LYS  46  -5.208  -6.375  -9.507
  265   3HZ   LYS  46          3HZ       LYS  46  -6.388  -5.401 -10.228
  266    H    GLU  47           H        GLU  47 -10.680  -4.186  -5.425
  267    HA   GLU  47           HA       GLU  47 -11.496  -1.623  -6.198
  268    H    ASP  48           H        ASP  48 -12.345  -3.505  -3.307
  269    HA   ASP  48           HA       ASP  48 -14.146  -1.643  -2.239
  270    H    ILE  49           H        ILE  49 -10.658  -2.026  -1.715
  271    HA   ILE  49           HA       ILE  49 -10.385  -0.044   0.243
  272    HB   ILE  49           HB       ILE  49  -8.394  -1.048  -1.787
  273   1HG2  ILE  49          2HG2      ILE  49  -8.201   1.320  -0.318
  274   2HG2  ILE  49          3HG2      ILE  49  -7.215   0.148   0.554
  275   3HG2  ILE  49          1HG2      ILE  49  -6.899   0.471  -1.151
  276   1HD1  ILE  49          3HD1      ILE  49  -6.454  -1.916  -0.392
  277   2HD1  ILE  49          1HD1      ILE  49  -6.773  -2.557   1.220
  278   3HD1  ILE  49          2HD1      ILE  49  -7.170  -3.518  -0.205
  279    H    GLU  50           H        GLU  50 -10.060   0.211  -3.300
  280    HA   GLU  50           HA       GLU  50  -9.432   2.947  -3.405
  281    H    TYR  51           H        TYR  51 -12.517   1.279  -3.202
  282    HA   TYR  51           HA       TYR  51 -14.181   3.495  -3.744
  283    HD1  TYR  51          1HD       TYR  51 -16.653   0.858  -0.939
  284    HD2  TYR  51          2HD       TYR  51 -16.452   3.580  -4.201
  285    HE1  TYR  51          1HE       TYR  51 -18.932   1.628  -0.429
  286    HE2  TYR  51          2HE       TYR  51 -18.727   4.361  -3.700
  287    HH   TYR  51           HH       TYR  51 -20.592   3.972  -2.505
  288    H    TYR  52           H        TYR  52 -13.218   1.985  -0.683
  289    HA   TYR  52           HA       TYR  52 -14.514   3.896   0.951
  290    HD1  TYR  52          1HD       TYR  52 -15.764   2.833   2.648
  291    HD2  TYR  52          2HD       TYR  52 -13.131  -0.250   1.360
  292    HE1  TYR  52          1HE       TYR  52 -17.562   1.184   2.943
  293    HE2  TYR  52          2HE       TYR  52 -14.924  -1.907   1.649
  294    HH   TYR  52           HH       TYR  52 -18.201  -0.927   2.608
  295    H    ALA  53           H        ALA  53 -11.179   3.557  -0.152
  296    HA   ALA  53           HA       ALA  53 -10.089   5.624   1.402
  297   1HB   ALA  53          1HB       ALA  53  -9.047   3.719  -0.190
  298   2HB   ALA  53          2HB       ALA  53  -8.834   5.142  -1.210
  299   3HB   ALA  53          3HB       ALA  53  -8.142   5.108   0.410
  300    H    ARG  54           H        ARG  54 -11.497   5.655  -1.862
  301    HA   ARG  54           HA       ARG  54 -10.729   8.285  -2.493
  302    HE   ARG  54           HE       ARG  54  -9.567   7.059  -5.062
  303   1HH1  ARG  54          2HH1      ARG  54 -11.361   8.812  -7.507
  304   2HH1  ARG  54          1HH1      ARG  54 -11.157   7.588  -8.718
  305   1HH2  ARG  54          2HH2      ARG  54  -9.358   5.408  -6.635
  306   2HH2  ARG  54          1HH2      ARG  54 -10.059   5.640  -8.217
  307    H    LEU  55           H        LEU  55 -13.553   6.999  -0.829
  308    HA   LEU  55           HA       LEU  55 -15.005   9.409  -0.648
  309    HG   LEU  55           HG       LEU  55 -15.525   6.288  -1.066
  310   1HD1  LEU  55          3HD1      LEU  55 -16.780   5.422   0.957
  311   2HD1  LEU  55          1HD1      LEU  55 -18.128   6.431   0.428
  312   3HD1  LEU  55          2HD1      LEU  55 -17.528   5.141  -0.616
  313   1HD2  LEU  55          3HD2      LEU  55 -17.664   8.409  -1.029
  314   2HD2  LEU  55          1HD2      LEU  55 -16.250   8.344  -2.081
  315   3HD2  LEU  55          2HD2      LEU  55 -17.525   7.138  -2.243
  316    H    SER  56           H        SER  56 -12.761   7.815   1.603
  317    HA   SER  56           HA       SER  56 -13.000   9.827   3.605
  318    HG   SER  56           HG       SER  56 -10.915   6.451   3.369
  319    H    GLY  57           H        GLY  57 -10.597   9.142   1.096
  320   1HA   GLY  57          2HA       GLY  57  -9.538  11.872   1.511
  321   2HA   GLY  57          1HA       GLY  57  -9.794  11.179  -0.085
  322    H    ILE  58           H        ILE  58  -8.831   8.567   0.553
  323    HA   ILE  58           HA       ILE  58  -5.970   9.121   0.999
  324    HB   ILE  58           HB       ILE  58  -7.402   6.480   1.331
  325   1HG2  ILE  58          2HG2      ILE  58  -4.644   7.175   1.112
  326   2HG2  ILE  58          3HG2      ILE  58  -4.960   6.562   2.734
  327   3HG2  ILE  58          1HG2      ILE  58  -5.372   5.583   1.327
  328   1HD1  ILE  58          1HD1      ILE  58  -6.739   5.653   3.662
  329   2HD1  ILE  58          2HD1      ILE  58  -6.648   6.819   4.984
  330   3HD1  ILE  58          3HD1      ILE  58  -8.218   6.338   4.341
  331    HA   PRO  59           HA       PRO  59  -5.624   7.977  -3.320
  332    H    VAL  60           H        VAL  60  -5.406   6.034  -4.270
  333    HA   VAL  60           HA       VAL  60  -3.830   3.988  -2.851
  334    HB   VAL  60           HB       VAL  60  -6.276   3.517  -4.568
  335   1HG1  VAL  60          1HG1      VAL  60  -4.373   1.754  -4.419
  336   2HG1  VAL  60          2HG1      VAL  60  -5.004   1.473  -2.795
  337   3HG1  VAL  60          3HG1      VAL  60  -6.047   1.245  -4.198
  338   1HG2  VAL  60          2HG2      VAL  60  -6.355   4.511  -2.077
  339   2HG2  VAL  60          3HG2      VAL  60  -7.576   3.415  -2.724
  340   3HG2  VAL  60          1HG2      VAL  60  -6.276   2.788  -1.710
  341    H    TYR  61           H        TYR  61  -2.225   3.086  -3.950
  342    HA   TYR  61           HA       TYR  61  -1.951   3.767  -6.792
  343    HD1  TYR  61          1HD       TYR  61  -0.314   4.440  -8.153
  344    HD2  TYR  61          2HD       TYR  61   2.127   2.031  -5.634
  345    HE1  TYR  61          1HE       TYR  61   1.240   4.078 -10.021
  346    HE2  TYR  61          2HE       TYR  61   3.691   1.665  -7.500
  347    HH   TYR  61           HH       TYR  61   4.213   3.196  -9.786
  348    H    GLU  62           H        GLU  62  -2.008   2.221  -8.305
  349    HA   GLU  62           HA       GLU  62  -2.442  -0.533  -7.520
  350    H    PHE  63           H        PHE  63  -0.747  -1.683  -6.923
  351    HA   PHE  63           HA       PHE  63   1.933  -1.104  -7.770
  352    HD1  PHE  63          1HD       PHE  63   3.909  -1.540  -6.960
  353    HD2  PHE  63          2HD       PHE  63   2.185  -5.264  -5.833
  354    HE1  PHE  63          1HE       PHE  63   6.140  -2.578  -6.982
  355    HE2  PHE  63          2HE       PHE  63   4.412  -6.303  -5.853
  356    HZ   PHE  63           HZ       PHE  63   6.409  -4.919  -6.346
  357    H    GLU  64           H        GLU  64   2.550  -1.544  -9.775
  358    HA   GLU  64           HA       GLU  64   1.272  -3.534 -11.386
  359    H    GLY  65           H        GLY  65   1.941  -4.986  -9.384
  360   1HA   GLY  65          2HA       GLY  65   4.379  -6.032  -8.893
  361   2HA   GLY  65          1HA       GLY  65   3.929  -6.809 -10.404
  362    H    THR  66           H        THR  66   4.336  -8.502  -8.516
  363    HA   THR  66           HA       THR  66   1.684  -9.536  -7.962
  364    HB   THR  66           HB       THR  66   3.111 -11.132  -8.974
  365    HG1  THR  66          1HG       THR  66   2.586 -12.690  -7.621
  366   1HG2  THR  66          2HG2      THR  66   5.151  -9.911  -7.358
  367   2HG2  THR  66          1HG2      THR  66   5.165 -11.660  -7.139
  368   3HG2  THR  66          3HG2      THR  66   5.318 -10.973  -8.754
  369    H    SER  67           H        SER  67   0.969 -10.253  -5.992
  370    HA   SER  67           HA       SER  67   1.556  -8.653  -3.757
  371    HG   SER  67           HG       SER  67  -1.021 -11.726  -4.264
  372    H    VAL  68           H        VAL  68   2.778 -11.722  -4.867
  373    HA   VAL  68           HA       VAL  68   3.854 -12.681  -2.428
  374    HB   VAL  68           HB       VAL  68   5.023 -13.175  -5.167
  375   1HG1  VAL  68          1HG1      VAL  68   6.059 -13.949  -2.870
  376   2HG1  VAL  68          2HG1      VAL  68   4.858 -15.230  -3.028
  377   3HG1  VAL  68          3HG1      VAL  68   6.070 -14.998  -4.286
  378   1HG2  VAL  68          2HG2      VAL  68   2.521 -13.514  -5.062
  379   2HG2  VAL  68          3HG2      VAL  68   3.477 -14.913  -5.550
  380   3HG2  VAL  68          1HG2      VAL  68   2.838 -14.810  -3.909
  381    H    GLU  69           H        GLU  69   5.324 -10.931  -5.137
  382    HA   GLU  69           HA       GLU  69   7.850 -10.534  -3.948
  383    H    LEU  70           H        LEU  70   4.917  -8.573  -4.060
  384    HA   LEU  70           HA       LEU  70   5.919  -6.277  -2.805
  385    HG   LEU  70           HG       LEU  70   3.505  -5.512  -1.094
  386   1HD1  LEU  70          2HD1      LEU  70   4.521  -4.296  -3.601
  387   2HD1  LEU  70          3HD1      LEU  70   3.622  -3.266  -2.487
  388   3HD1  LEU  70          1HD1      LEU  70   5.077  -4.099  -1.939
  389   1HD2  LEU  70          2HD2      LEU  70   1.710  -5.003  -3.461
  390   2HD2  LEU  70          3HD2      LEU  70   1.299  -5.911  -2.007
  391   3HD2  LEU  70          1HD2      LEU  70   1.601  -4.177  -1.908
  392    H    GLY  71           H        GLY  71   4.449  -9.208  -1.477
  393   1HA   GLY  71          2HA       GLY  71   4.392 -10.063   0.643
  394   2HA   GLY  71          1HA       GLY  71   4.407  -8.402   1.215
  395    H    THR  72           H        THR  72   6.787 -10.464  -0.474
  396    HA   THR  72           HA       THR  72   8.456 -10.737   1.775
  397    HB   THR  72           HB       THR  72   8.534 -12.236  -0.197
  398    HG1  THR  72          1HG       THR  72  11.145 -11.224   0.077
  399   1HG2  THR  72          2HG2      THR  72   8.465 -10.576  -1.983
  400   2HG2  THR  72          1HG2      THR  72  10.057  -9.986  -1.503
  401   3HG2  THR  72          3HG2      THR  72   9.877 -11.622  -2.143
  402    H    LEU  73           H        LEU  73   8.359  -8.363  -0.797
  403    HA   LEU  73           HA       LEU  73  10.780  -7.040  -0.194
  404    HG   LEU  73           HG       LEU  73   9.575  -4.105  -0.769
  405   1HD1  LEU  73          1HD1      LEU  73  11.746  -5.467  -0.816
  406   2HD1  LEU  73          2HD1      LEU  73  11.797  -5.070  -2.533
  407   3HD1  LEU  73          3HD1      LEU  73  11.813  -3.782  -1.329
  408   1HD2  LEU  73          3HD2      LEU  73   8.461  -4.488  -3.159
  409   2HD2  LEU  73          1HD2      LEU  73   9.310  -3.001  -2.738
  410   3HD2  LEU  73          2HD2      LEU  73  10.129  -4.250  -3.676
  411    H    LEU  74           H        LEU  74   7.437  -6.442   0.827
  412    HA   LEU  74           HA       LEU  74   7.976  -4.135   2.339
  413    HG   LEU  74           HG       LEU  74   5.944  -3.953   4.298
  414   1HD1  LEU  74          2HD1      LEU  74   6.689  -2.593   2.324
  415   2HD1  LEU  74          3HD1      LEU  74   5.024  -2.666   1.748
  416   3HD1  LEU  74          1HD1      LEU  74   5.391  -1.887   3.288
  417   1HD2  LEU  74          3HD2      LEU  74   3.856  -5.304   3.914
  418   2HD2  LEU  74          1HD2      LEU  74   3.602  -3.601   4.293
  419   3HD2  LEU  74          2HD2      LEU  74   3.453  -4.165   2.630
  420    H    GLY  75           H        GLY  75   7.800  -7.552   3.224
  421   1HA   GLY  75          2HA       GLY  75   8.929  -6.862   5.867
  422   2HA   GLY  75          1HA       GLY  75   9.644  -8.128   4.876
  423    H    ARG  76           H        ARG  76   7.442  -9.411   3.911
  424    HA   ARG  76           HA       ARG  76   6.383 -10.697   6.309
  425    HE   ARG  76           HE       ARG  76   1.606 -11.646   6.619
  426   1HH1  ARG  76          2HH1      ARG  76   3.766 -11.560   9.381
  427   2HH1  ARG  76          1HH1      ARG  76   2.591 -12.229  10.477
  428   1HH2  ARG  76          2HH2      ARG  76   0.073 -12.541   8.053
  429   2HH2  ARG  76          1HH2      ARG  76   0.493 -12.781   9.726
  430    HA   PRO  77           HA       PRO  77   7.246 -14.057   3.436
  431    H    HIS  78           H        HIS  78   4.731 -12.813   3.359
  432    HA   HIS  78           HA       HIS  78   3.037 -15.023   2.606
  433    HD1  HIS  78          1HD       HIS  78   1.586 -16.718   3.723
  434    HD2  HIS  78          2HD       HIS  78   2.789 -14.596   7.092
  435    HE1  HIS  78          1HE       HIS  78   1.855 -18.434   5.545
  436    HE2  HIS  78          2HE       HIS  78   2.642 -17.142   7.561
  437    H    THR  79           H        THR  79   1.478 -14.387   1.097
  438    HA   THR  79           HA       THR  79   2.246 -12.234  -0.530
  439    HB   THR  79           HB       THR  79   0.114 -12.710  -1.775
  440    HG1  THR  79          1HG       THR  79  -0.755 -13.617   0.443
  441   1HG2  THR  79          3HG2      THR  79   2.424 -14.107  -1.723
  442   2HG2  THR  79          2HG2      THR  79   1.275 -15.382  -1.316
  443   3HG2  THR  79          1HG2      THR  79   1.086 -14.471  -2.813
  444    H    VAL  80           H        VAL  80   2.089 -10.168   0.172
  445    HA   VAL  80           HA       VAL  80  -0.190  -9.251   1.698
  446    HB   VAL  80           HB       VAL  80   2.151  -7.740   0.507
  447   1HG1  VAL  80          1HG1      VAL  80  -0.185  -6.771   2.127
  448   2HG1  VAL  80          2HG1      VAL  80   1.354  -5.912   2.106
  449   3HG1  VAL  80          3HG1      VAL  80   0.445  -6.134   0.611
  450   1HG2  VAL  80          2HG2      VAL  80   2.607  -9.313   2.411
  451   2HG2  VAL  80          3HG2      VAL  80   3.031  -7.627   2.711
  452   3HG2  VAL  80          1HG2      VAL  80   1.557  -8.304   3.404
  453    H    SER  81           H        SER  81  -2.055  -8.740   0.775
  454    HA   SER  81           HA       SER  81  -2.252  -8.428  -2.080
  455    HG   SER  81           HG       SER  81  -4.129 -10.389  -1.597
  456    H    ALA  82           H        ALA  82  -2.496  -6.408   0.778
  457    HA   ALA  82           HA       ALA  82  -2.125  -4.025  -0.834
  458   1HB   ALA  82          1HB       ALA  82  -4.613  -4.543   0.777
  459   2HB   ALA  82          3HB       ALA  82  -4.489  -4.155  -0.940
  460   3HB   ALA  82          2HB       ALA  82  -4.107  -2.929   0.270
  461    H    LEU  83           H        LEU  83  -1.200  -2.364   0.295
  462    HA   LEU  83           HA       LEU  83  -0.799  -2.777   3.176
  463    HG   LEU  83           HG       LEU  83   0.851  -1.787   0.060
  464   1HD1  LEU  83          2HD1      LEU  83   1.413   0.096   1.765
  465   2HD1  LEU  83          3HD1      LEU  83   3.081  -0.409   1.493
  466   3HD1  LEU  83          1HD1      LEU  83   2.097   0.152   0.141
  467   1HD2  LEU  83          2HD2      LEU  83   2.928  -3.491   0.990
  468   2HD2  LEU  83          3HD2      LEU  83   2.512  -3.052  -0.666
  469   3HD2  LEU  83          1HD2      LEU  83   3.653  -2.064   0.247
  470    H    ALA  84           H        ALA  84  -0.836  -0.959   4.429
  471    HA   ALA  84           HA       ALA  84  -1.504   1.534   3.000
  472   1HB   ALA  84          1HB       ALA  84  -2.424   0.723   5.757
  473   2HB   ALA  84          3HB       ALA  84  -3.386   0.577   4.284
  474   3HB   ALA  84          2HB       ALA  84  -2.898   2.169   4.863
  475    H    VAL  85           H        VAL  85   0.090   2.906   3.053
  476    HA   VAL  85           HA       VAL  85   2.125   2.902   5.106
  477    HB   VAL  85           HB       VAL  85   1.677   4.951   2.925
  478   1HG1  VAL  85          3HG1      VAL  85   3.202   5.478   4.881
  479   2HG1  VAL  85          1HG1      VAL  85   4.264   4.213   4.261
  480   3HG1  VAL  85          2HG1      VAL  85   3.904   5.628   3.271
  481   1HG2  VAL  85          3HG2      VAL  85   1.958   2.485   2.195
  482   2HG2  VAL  85          1HG2      VAL  85   2.948   3.725   1.426
  483   3HG2  VAL  85          2HG2      VAL  85   3.638   2.704   2.688
  484    H    VAL  86           H        VAL  86   1.508   3.657   7.045
  485    HA   VAL  86           HA       VAL  86  -0.519   5.671   7.341
  486    HB   VAL  86           HB       VAL  86   1.393   4.605   9.428
  487   1HG1  VAL  86          3HG1      VAL  86  -0.647   6.633   9.488
  488   2HG1  VAL  86          1HG1      VAL  86  -1.067   5.302  10.569
  489   3HG1  VAL  86          2HG1      VAL  86   0.477   6.136  10.754
  490   1HG2  VAL  86          2HG2      VAL  86  -0.806   3.339   8.082
  491   2HG2  VAL  86          3HG2      VAL  86   0.296   2.678   9.291
  492   3HG2  VAL  86          1HG2      VAL  86  -1.167   3.524   9.799
  493    H    ASP  87           H        ASP  87   2.969   5.501   7.899
  494    HA   ASP  87           HA       ASP  87   3.112   8.401   7.466
  495    HA   PRO  88           HA       PRO  88   5.892   6.839   4.370
  496    H    GLY  89           H        GLY  89   6.763   9.560   6.468
  497   1HA   GLY  89          2HA       GLY  89   9.271   8.426   7.182
  498   2HA   GLY  89          1HA       GLY  89   8.724  10.055   7.552
  499    H    GLU  90           H        GLU  90  11.196   8.583   6.258
  500    HA   GLU  90           HA       GLU  90  12.038  10.834   4.725
  501    H    SER  91           H        SER  91  10.839   7.630   3.974
  502    HA   SER  91           HA       SER  91  11.613   7.447   1.320
  503    HG   SER  91           HG       SER  91  10.761   4.437   2.639
  504    H    ARG  92           H        ARG  92  10.905   8.202  -0.544
  505    HA   ARG  92           HA       ARG  92   8.840  10.252  -0.566
  506    HE   ARG  92           HE       ARG  92  13.910  11.178  -1.116
  507   1HH1  ARG  92          2HH1      ARG  92  14.298   9.673  -4.254
  508   2HH1  ARG  92          1HH1      ARG  92  16.031   9.758  -4.231
  509   1HH2  ARG  92          2HH2      ARG  92  16.192  11.276  -1.069
  510   2HH2  ARG  92          1HH2      ARG  92  17.114  10.650  -2.405
  511    H    ILE  93           H        ILE  93   7.859   7.682  -0.036
  512    HA   ILE  93           HA       ILE  93   7.076   6.194  -2.252
  513    HB   ILE  93           HB       ILE  93   7.026   5.351   0.066
  514   1HG2  ILE  93          1HG2      ILE  93   6.067   7.354   1.114
  515   2HG2  ILE  93          2HG2      ILE  93   4.508   6.972   0.380
  516   3HG2  ILE  93          3HG2      ILE  93   5.217   5.877   1.570
  517   1HD1  ILE  93          3HD1      ILE  93   6.996   3.740  -1.666
  518   2HD1  ILE  93          1HD1      ILE  93   5.506   2.817  -1.880
  519   3HD1  ILE  93          2HD1      ILE  93   5.834   4.212  -2.908
  520    H    LEU  94           H        LEU  94   5.681   9.069  -0.894
  521    HA   LEU  94           HA       LEU  94   3.087   8.897  -1.975
  522    HG   LEU  94           HG       LEU  94   4.374   9.976   0.675
  523   1HD1  LEU  94          1HD1      LEU  94   3.190  12.635   0.274
  524   2HD1  LEU  94          2HD1      LEU  94   2.673  11.787   1.734
  525   3HD1  LEU  94          3HD1      LEU  94   4.388  12.086   1.446
  526   1HD2  LEU  94          1HD2      LEU  94   2.181   9.011  -0.387
  527   2HD2  LEU  94          2HD2      LEU  94   2.338   9.164   1.362
  528   3HD2  LEU  94          3HD2      LEU  94   1.428  10.367   0.449
  529    H    ALA  95           H        ALA  95   6.117   9.564  -3.450
  530    HA   ALA  95           HA       ALA  95   5.367  11.178  -5.603
  531   1HB   ALA  95          2HB       ALA  95   7.493  10.942  -6.221
  532   2HB   ALA  95          1HB       ALA  95   7.364   9.186  -6.307
  533   3HB   ALA  95          3HB       ALA  95   7.690   9.972  -4.762
  534    H    LEU  96           H        LEU  96   5.209   7.658  -5.226
  535    HA   LEU  96           HA       LEU  96   4.254   7.316  -7.939
  536    HG   LEU  96           HG       LEU  96   6.440   6.112  -7.772
  537   1HD1  LEU  96          2HD1      LEU  96   6.499   5.230  -4.906
  538   2HD1  LEU  96          3HD1      LEU  96   7.960   5.299  -5.891
  539   3HD1  LEU  96          1HD1      LEU  96   7.022   6.763  -5.603
  540   1HD2  LEU  96          3HD2      LEU  96   5.519   3.409  -7.424
  541   2HD2  LEU  96          1HD2      LEU  96   6.698   4.058  -8.562
  542   3HD2  LEU  96          2HD2      LEU  96   7.210   3.564  -6.948
  543    H    GLY  97           H        GLY  97   2.970   7.563  -4.721
  544   1HA   GLY  97          2HA       GLY  97   0.763   7.031  -3.992
  545   2HA   GLY  97          1HA       GLY  97   0.279   6.880  -5.675
  546    H    GLY  98           H        GLY  98   1.222   9.242  -6.730
  547   1HA   GLY  98          2HA       GLY  98   0.526  11.504  -5.171
  548   2HA   GLY  98          1HA       GLY  98  -0.825  11.031  -6.190
  549    H    LYS  99           H        LYS  99  -0.918  12.435  -7.783
  550    HA   LYS  99           HA       LYS  99  -0.398  13.629  -9.633
  551   1HZ   LYS  99          3HZ       LYS  99   1.017  17.493  -5.529
  552   2HZ   LYS  99          2HZ       LYS  99   0.334  17.988  -7.005
  553   3HZ   LYS  99          1HZ       LYS  99  -0.429  18.379  -5.542
  554    H    GLU 100           H        GLU 100  -0.411  11.162 -10.308
  555    HA   GLU 100           HA       GLU 100   1.676  10.907 -12.289

  No H/Q in entry =         555