NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.5368 8.3049 120.2785 55.4184 33.8107 174.1078 102 K 4.4014 8.9001 118.7148 55.4782 34.6295 174.4719 103 K 5.3174 9.1328 120.8829 54.6790 36.7098 175.1450 104 W 5.5093 9.4586 122.0814 55.0024 33.5631 174.4444 105 V 4.8612 8.9614 124.0339 60.0246 33.5962 174.5940 106 C 3.4281 9.0481 125.8363 59.1856 31.9569 173.7861 107 T 4.1108 8.5137 116.6425 63.0026 68.5613 175.9650 108 V 3.9015 7.7570 122.2333 65.0225 32.0203 176.1266 109 C 4.6558 8.0432 109.8956 57.2308 30.8556 174.6774 110 G 3.9391 8.5134 109.2492 44.9593 0.0000 173.1313 111 Y 4.2694 7.9236 121.2023 58.4902 39.9573 174.9813 112 I 4.8151 7.5238 126.6729 59.7997 38.6553 174.6139 113 Y 4.4113 9.2620 130.4217 57.2785 40.0665 173.5244 114 D 4.7587 7.8962 126.8653 52.3789 42.8272 176.2927 115 E 3.8776 9.0497 127.0649 59.8643 30.0192 179.3639 116 D 4.3260 8.3552 118.4016 57.2197 41.1236 178.4435 117 A 4.0456 8.2122 121.1001 52.5012 19.5750 178.1594 118 G 3.9673 7.6399 104.4842 46.0823 0.0000 174.2347 119 D 4.9754 8.4866 111.7450 53.0618 42.2877 175.2879 120 P 4.4696 0.0000 0.0000 65.3130 32.1556 178.4105 121 D 4.6739 8.1423 115.3404 54.5331 39.6923 176.2010 122 N 4.9017 8.2421 117.0160 53.1866 39.3055 175.2504 123 G 3.9377 8.4221 106.2381 45.1953 0.0000 173.9402 124 I 4.3624 7.8325 121.4844 59.0570 38.1601 175.6360 125 S 4.5457 8.4555 121.9079 57.5740 63.4186 172.2695 126 P 4.3710 0.0000 0.0000 63.8687 31.4680 176.8581 127 G 3.8871 8.9479 110.3696 45.5167 0.0000 173.3801 128 T 4.1988 7.2277 115.9835 62.0780 68.7885 175.1243 129 K 4.3183 8.4854 126.4478 56.2177 33.0683 177.7618 130 F 3.2630 9.4584 124.8382 61.2861 38.7510 177.6456 131 E 3.8377 8.0696 115.5807 58.9051 29.4412 177.8446 132 E 4.1966 7.6362 116.8802 55.2801 30.2289 176.5936 133 L 3.7217 6.6137 120.0951 53.5183 42.2935 175.4462 134 P 4.3144 0.0000 0.0000 62.5868 31.9505 177.1208 135 D 4.2676 8.7162 121.0776 57.3214 40.8067 177.3886 136 D 4.7681 7.8475 115.6994 52.6093 39.6997 176.2047 137 W 4.2205 7.9684 129.7262 57.7921 31.1895 175.5855 138 V 4.2071 6.4937 115.5604 58.6817 35.2133 175.0536 139 C 3.6769 8.5897 122.2065 59.3104 31.5486 173.1551 140 P 4.1755 0.0000 0.0000 64.4833 31.4330 177.0160 141 L 4.3105 7.6081 118.3721 56.2213 42.5134 176.9803 142 C 4.4655 7.9954 109.5783 57.3240 31.0264 174.7577 143 G 3.7995 8.0680 108.6120 45.1892 0.0000 174.0859 144 V 3.8052 7.3352 119.2986 61.0394 32.4760 176.0634 145 G 4.2317 8.2900 110.1876 44.2517 0.0000 174.8060 146 K 4.4331 8.7236 117.5922 59.6431 32.0629 179.4557 147 D 4.6272 8.3328 117.3370 56.9333 40.9800 176.8704 148 Q 4.5341 8.5549 117.4990 55.7957 28.8980 174.6783 149 F 5.2477 8.4088 117.3101 56.2334 40.9435 175.1966 150 E 4.8443 9.0795 121.1523 54.1463 32.9530 175.4054 151 K 3.1726 8.0306 125.2970 55.6698 32.7626 176.5195 152 L 4.1209 8.0949 127.6300 54.3758 42.2067 177.2150 153 E 4.0160 8.5163 121.6741 56.3191 30.2245 176.9451 154 D 4.4573 8.3998 119.9257 54.7805 40.9048 176.4977 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 8.30 4.54 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 102 K 8.90 4.40 0.00 2.19 1.68 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.69 7.81 103 K 9.13 5.32 0.00 1.62 1.67 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 104 W 9.46 5.51 0.00 3.39 3.11 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 0.00 0.00 0.00 105 V 8.96 4.86 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 0.80 0.00 0.00 0.98 0.00 0.00 106 C 9.05 3.43 0.00 2.52 2.86 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 0.00 107 T 8.51 4.11 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 108 V 7.76 3.90 2.03 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 0.92 0.00 0.00 0.91 0.00 0.00 109 C 8.04 4.66 0.00 3.10 2.98 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 0.00 110 G 8.51 3.94 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 Y 7.92 4.27 0.00 3.21 3.10 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 0.00 0.00 0.00 112 I 7.52 4.82 1.69 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 1.17 0.95 0.87 0.00 0.00 113 Y 9.26 4.41 0.00 3.54 3.15 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 0.00 0.00 0.00 114 D 7.90 4.76 0.00 2.61 2.32 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 0.00 115 E 9.05 3.88 0.00 2.07 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 0.00 2.78 2.68 0.00 116 D 8.36 4.33 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.21 4.05 1.28 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 0.00 118 G 7.64 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 0.00 0.00 0.00 119 D 8.49 4.98 0.00 3.24 2.87 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 0.00 0.00 0.00 120 P 0.00 4.47 0.00 2.26 2.11 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 121 D 8.14 4.67 0.00 2.79 2.82 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 N 8.24 4.90 0.00 3.13 2.83 0.00 0.00 7.71 7.63 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 0.00 123 G 8.42 3.94 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 0.00 124 I 7.83 4.36 2.16 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 1.48 0.99 0.86 0.00 0.00 125 S 8.46 4.55 0.00 3.88 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 0.00 126 P 0.00 4.37 0.00 2.04 2.11 0.00 3.72 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 127 G 8.95 3.89 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 0.00 128 T 7.23 4.20 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 1.06 0.00 0.00 129 K 8.49 4.32 0.00 1.81 2.00 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.46 7.81 130 F 9.46 3.26 0.00 1.95 1.97 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 0.00 131 E 8.07 3.84 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 2.29 2.39 0.00 132 E 7.64 4.20 0.00 1.90 1.91 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 2.25 2.43 0.00 133 L 6.61 3.72 0.00 0.78 0.83 -1.65 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.31 0.00 2.33 1.94 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 135 D 8.72 4.27 0.00 2.63 2.73 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 0.00 136 D 7.85 4.77 0.00 2.75 2.73 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 0.00 137 W 7.97 4.22 0.00 3.04 2.96 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 0.00 138 V 6.49 4.21 1.93 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 0.78 0.00 0.00 0.60 0.00 0.00 139 C 8.59 3.68 0.00 3.22 2.88 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 0.00 140 P 0.00 4.18 0.00 1.95 2.00 0.00 3.42 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.77 0.00 141 L 7.61 4.31 0.00 1.63 1.73 1.10 0.78 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 0.00 142 C 8.00 4.47 0.00 3.03 3.00 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 0.00 143 G 8.07 3.80 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 0.00 144 V 7.34 3.81 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 0.95 0.00 0.00 0.97 0.00 0.00 145 G 8.29 4.23 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 0.00 146 K 8.72 4.43 0.00 1.89 1.97 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.68 7.81 147 D 8.33 4.63 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.55 4.53 0.00 2.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 149 F 8.41 5.25 0.00 3.18 3.06 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 0.00 150 E 9.08 4.84 0.00 1.84 1.75 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 2.36 0.00 151 K 8.03 3.17 0.00 0.79 0.98 0.00 1.16 0.00 0.00 1.32 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.77 0.21 7.81 152 L 8.09 4.12 0.00 1.53 1.47 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.52 4.02 0.00 1.89 1.82 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 2.21 0.00 154 D 8.40 4.46 0.00 2.62 2.54 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