NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4409 8.1627 120.6115 55.3175 34.2175 173.4908 102 L 5.0597 8.4055 127.4787 51.5293 44.1994 173.3921 103 I 4.9192 10.0383 121.4404 59.0150 41.8235 173.8860 104 K 4.8989 8.5975 122.6308 54.7061 34.9225 175.8217 105 V 5.2838 8.5045 124.4631 58.1757 32.5287 174.4634 106 K 3.9942 8.2984 128.9035 57.3420 33.3512 176.4978 107 T 4.3161 8.7622 122.7261 61.1380 68.3140 174.2894 108 L 4.2418 8.3759 123.4893 56.6646 42.0375 176.8888 109 T 4.4981 7.9859 105.9686 61.7875 69.3046 174.6015 110 G 3.9220 8.1739 112.0178 45.2313 0.0000 173.9552 111 K 3.9435 7.4705 121.6459 56.8162 33.1135 175.1835 112 E 4.8237 8.7864 129.5801 54.9002 30.6631 174.9741 113 I 4.6177 8.2738 120.0170 59.0630 40.7887 173.9866 114 E 5.0158 8.7112 125.3430 55.3430 31.3207 174.9397 115 I 4.7112 9.4467 125.4149 59.9127 42.3507 173.8222 116 D 5.1051 8.6401 125.1474 53.3671 41.7624 176.5414 117 I 4.4385 8.8997 125.6933 59.7066 40.8568 175.1655 118 E 4.0316 9.1363 127.8796 56.9514 29.7486 178.2115 119 P 3.8320 0.0000 0.0000 65.1342 32.3134 177.0469 120 T 3.9489 7.9027 107.1394 64.5238 68.8921 174.3663 121 D 4.4121 8.0841 122.6630 54.2513 41.4519 176.4046 122 K 4.5474 8.4610 122.7084 55.9400 33.1684 177.9704 123 V 3.5585 8.1814 120.7401 66.5678 30.1919 178.0865 124 E 3.8105 7.7420 117.6116 58.9701 29.2239 178.2965 125 R 4.7098 8.0829 119.2653 57.1642 30.8716 177.8602 126 I 3.7837 7.8933 119.8697 64.1174 36.9047 178.3059 127 K 4.1451 7.9400 118.9588 59.0663 32.1585 178.8390 128 E 3.9743 7.5348 119.2124 59.5157 29.4678 179.7026 129 R 4.0182 8.4031 118.4934 59.1076 30.0689 179.2602 130 V 3.5518 7.5060 118.1587 66.0602 31.5912 177.6531 131 E 3.9416 8.5420 119.4122 59.1274 29.1246 178.4437 132 E 3.9053 7.7655 118.4073 59.2043 29.8613 178.5192 133 K 4.2343 7.8312 116.2212 57.8225 32.4768 178.0094 134 E 4.6208 8.7133 117.2410 55.2183 31.3315 177.1397 135 G 3.7905 8.0247 105.9934 45.4417 0.0000 173.4174 136 I 4.0581 7.4103 120.3252 59.0201 36.7377 173.9632 137 P 4.2310 0.0000 0.0000 62.2817 31.8805 176.1217 138 P 4.4185 0.0000 0.0000 65.4605 31.6404 178.6033 139 Q 3.9425 8.2459 118.0080 59.0713 28.6009 177.1744 140 Q 4.3209 7.5079 111.0950 56.1203 28.8202 175.2843 141 Q 4.2121 7.6516 118.5555 55.5096 29.2628 175.3233 142 R 4.5612 8.4911 122.4137 54.4237 32.3766 174.7366 143 L 5.0113 8.4006 124.5550 53.4298 43.9130 175.7430 144 I 4.8784 8.8234 124.3658 59.6275 40.5288 174.0799 145 Y 4.7467 8.4239 127.5415 55.8792 41.4465 174.6859 146 S 3.3733 9.2038 123.4436 59.2541 60.7821 173.0251 147 G 4.1386 8.3877 109.5010 45.3660 0.0000 175.0548 148 K 4.0950 7.7500 120.1500 56.2811 32.3744 176.2310 149 Q 4.7703 8.5873 122.9775 54.8075 28.2309 173.4263 150 M 2.7878 7.8961 124.1392 53.9468 32.1720 175.8102 151 N 4.6636 10.3179 126.2176 53.0694 39.5578 175.5107 152 D 4.5887 9.1118 124.9769 54.8230 39.6163 176.9952 153 E 4.3931 8.3075 120.4198 57.3074 30.8322 176.9800 154 K 4.3923 7.8218 119.0139 56.1340 33.5081 175.4621 155 T 4.6277 7.8910 112.0061 60.7118 70.9735 175.4791 156 A 4.0600 8.5801 128.6296 55.5327 18.9070 180.3206 157 A 3.9752 8.1535 118.1278 55.5823 18.5339 179.0397 158 D 4.3798 7.8646 113.2321 56.4854 40.8506 176.7572 159 Y 4.7837 7.2860 114.9058 56.8145 39.1974 175.1465 160 K 3.8883 8.6354 117.5654 57.2370 30.2984 175.5883 161 I 3.4619 7.6363 119.6524 61.3840 37.1899 176.1041 162 L 4.4093 8.1627 125.8169 53.3189 43.3133 180.7935 163 G 3.7332 8.2917 111.3824 47.2135 0.0000 173.6980 164 G 4.0427 7.5219 108.0472 45.1288 0.0000 173.3996 165 S 4.7089 8.0894 115.0970 57.2521 64.9211 173.0165 166 V 4.9985 8.5446 121.4514 61.3048 33.9874 174.2982 167 L 5.0717 9.1661 127.6573 53.4273 44.3375 175.0568 168 H 5.3266 9.1106 120.1867 54.1428 31.6364 173.5131 169 L 4.9395 8.4186 122.3199 53.7425 42.6196 176.1994 170 V 4.5758 8.3143 122.9531 61.1527 35.0415 174.2422 171 L 4.5827 8.2230 123.0400 53.5009 44.8874 174.1449 172 Q 4.6131 8.6218 125.9254 54.1641 31.1048 174.4633 173 L 4.7938 8.2505 124.4868 53.1915 44.2687 176.8394 174 R 4.0678 8.6481 121.1686 59.0633 30.4774 177.8462 175 G 3.8619 7.8234 104.4945 45.8337 0.0000 173.5114 176 G 3.7158 8.2162 107.3481 45.9213 0.0000 173.1616 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 101 M 8.16 4.44 0.00 2.39 1.99 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 102 L 8.41 5.06 0.00 1.85 1.47 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 103 I 10.04 4.92 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.83 0.00 0.00 104 K 8.60 4.90 0.00 1.71 1.70 0.00 1.60 0.00 0.00 1.99 0.00 0.00 2.90 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.33 1.33 7.81 105 V 8.50 5.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 106 K 8.30 3.99 0.00 1.65 1.56 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.52 7.81 107 T 8.76 4.32 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 108 L 8.38 4.24 0.00 1.63 1.67 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.99 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 110 G 8.17 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.47 3.94 0.00 1.76 1.72 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 112 E 8.79 4.82 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 113 I 8.27 4.62 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 0.90 0.00 0.00 114 E 8.71 5.02 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 115 I 9.45 4.71 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.89 0.00 0.00 116 D 8.64 5.11 0.00 2.54 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.90 4.44 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.93 0.00 0.00 118 E 9.14 4.03 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 119 P 0.00 3.83 0.00 2.07 2.11 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 120 T 7.90 3.95 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 121 D 8.08 4.41 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.46 4.55 0.00 1.83 1.78 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.44 7.81 123 V 8.18 3.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.10 0.00 0.00 124 E 7.74 3.81 0.00 2.46 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 125 R 8.08 4.71 0.00 1.88 1.88 0.00 3.28 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.90 0.00 126 I 7.89 3.78 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.87 0.00 0.00 127 K 7.94 4.15 0.00 1.94 1.84 0.00 1.67 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.66 7.81 128 E 7.53 3.97 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 129 R 8.40 4.02 0.00 1.77 1.96 0.00 3.28 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 130 V 7.51 3.55 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 131 E 8.54 3.94 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 132 E 7.77 3.91 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 133 K 7.83 4.23 0.00 1.79 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 134 E 8.71 4.62 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 135 G 8.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.41 4.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.91 0.00 0.00 137 P 0.00 4.23 0.00 2.17 2.01 0.00 3.60 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 138 P 0.00 4.42 0.00 2.21 2.31 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 139 Q 8.25 3.94 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.28 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 140 Q 7.51 4.32 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 141 Q 7.65 4.21 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 142 R 8.49 4.56 0.00 1.83 1.82 0.00 3.27 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 143 L 8.40 5.01 0.00 1.53 1.52 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.82 4.88 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.90 0.00 0.00 145 Y 8.42 4.75 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 9.20 3.37 0.00 3.32 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.39 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.75 4.09 0.00 2.10 1.93 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.68 7.81 149 Q 8.59 4.77 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 150 M 7.90 2.79 0.00 1.50 1.94 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.65 0.00 151 N 10.32 4.66 0.00 2.83 2.90 0.00 0.00 6.57 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 9.11 4.59 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.31 4.39 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 154 K 7.82 4.39 0.00 2.30 1.80 0.00 1.57 0.00 0.00 1.09 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.44 7.81 155 T 7.89 4.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 156 A 8.58 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.15 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 7.86 4.38 0.00 2.71 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 7.29 4.78 0.00 2.95 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.64 3.89 0.00 2.04 1.99 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 161 I 7.64 3.46 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.40 0.74 0.00 0.00 162 L 8.16 4.41 0.00 1.52 1.57 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.29 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 7.52 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.09 4.71 0.00 3.70 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.54 5.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 167 L 9.17 5.07 0.00 1.53 1.53 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 168 H 9.11 5.33 0.00 3.13 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.42 4.94 0.00 1.55 1.60 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.31 4.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 171 L 8.22 4.58 0.00 1.57 1.46 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.62 4.61 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 173 L 8.25 4.79 0.00 1.63 1.55 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.65 4.07 0.00 1.80 1.97 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 175 G 7.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.22 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00