NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4578 8.2893 118.1937 54.3230 32.6039 174.7615 102 K 3.8264 8.3225 118.6140 55.9593 32.8928 174.7483 103 P 4.5582 0.0000 0.0000 61.5447 33.4260 177.3045 104 V 3.9314 8.0489 118.8622 63.7593 32.1445 175.2886 105 T 5.1140 8.9332 115.4577 59.5221 73.2371 174.7039 106 L 3.5640 8.6464 120.3685 58.8384 40.2408 178.7097 107 Y 3.9568 8.0569 117.5263 60.9294 37.8234 177.9736 108 D 4.3715 7.5945 116.7408 57.7101 41.0881 179.3907 109 V 3.8268 7.6229 111.9762 64.0032 31.4353 178.5854 110 A 4.0846 8.3188 121.3829 54.8909 18.0083 179.5735 111 E 3.9602 8.3991 117.5021 59.6711 29.3401 178.6452 112 Y 4.0771 8.4104 118.6976 60.8328 39.0538 177.8631 113 A 4.1553 8.5179 121.2577 53.0098 18.7927 177.2216 114 G 3.7488 7.9457 103.3002 46.8865 0.0000 173.2215 115 V 4.3350 8.2002 114.0477 59.2167 35.0774 175.0470 116 S 4.7579 8.0533 115.9617 57.4192 66.6549 174.8204 117 V 3.5617 7.9326 113.0912 63.4613 30.6457 178.5102 118 A 3.9429 7.6930 121.0879 55.0980 18.2623 179.8720 119 T 3.8164 7.5717 113.8915 66.7640 68.6281 177.0945 120 V 3.5016 7.4309 119.9607 66.1693 31.3351 178.2226 121 S 3.8453 8.0096 113.8100 61.4123 62.8433 176.8465 122 R 4.0353 7.5276 119.9757 59.2883 29.8247 179.1082 123 V 3.6584 7.6230 117.7646 66.1384 31.3024 178.1867 124 V 3.7004 8.4813 117.4815 65.3644 31.2794 176.5402 125 N 4.7870 7.8356 114.4912 52.5230 40.1250 174.7830 126 Q 3.3182 7.9189 115.5502 60.0440 26.6149 177.3206 127 A 3.1868 8.8763 116.7703 50.7566 20.0007 178.3226 128 S 4.4593 9.1145 119.2053 58.0384 62.6682 171.5401 129 H 5.0005 7.9136 114.9781 55.3630 29.7483 173.1638 130 V 4.4391 7.6944 117.9438 59.9893 34.4555 175.7296 131 S 4.2549 8.5703 121.5569 58.1926 64.8427 174.9403 132 A 3.9577 8.6479 126.0889 55.6470 18.0275 180.1044 133 K 3.8892 8.0332 117.2754 59.9591 32.1748 178.9980 134 T 3.8537 7.7140 115.5648 66.4812 68.4888 176.2440 135 R 3.8747 8.4442 121.0632 59.8478 29.9253 178.4041 136 E 4.0256 8.1863 117.9777 58.9057 28.9220 178.9338 137 K 3.8411 8.2755 120.2518 59.8639 32.1960 179.0816 138 V 3.8156 8.1063 112.3967 63.9398 31.5947 178.4496 139 E 3.9677 8.3089 118.3268 59.2588 29.2474 179.2040 140 A 4.0064 8.4268 120.9964 55.0055 18.3717 179.5621 141 A 4.1686 7.7319 118.4465 55.6873 18.4398 179.6002 142 M 3.9938 8.6152 117.3581 58.5170 31.6534 178.9077 143 A 4.0364 8.1351 120.7434 55.2060 18.4069 179.3992 144 E 3.9420 7.8270 115.5345 59.8274 29.7225 179.5606 145 L 3.9556 7.2993 116.5647 54.9858 43.0294 175.7240 146 N 4.0872 7.5373 115.0924 53.9705 36.6224 173.3105 147 Y 4.3240 8.7965 120.9382 57.5102 39.9864 174.9302 148 I 4.0063 7.3151 126.9777 58.7815 40.6021 173.4739 149 P 4.3863 0.0000 0.0000 62.0923 32.7181 175.3249 150 N 4.8925 8.2624 115.1934 51.2275 40.8834 175.8010 151 R 3.9155 8.6382 125.5103 59.4433 30.0147 178.1265 152 C 4.0287 7.9775 117.8384 62.4340 31.8275 174.9139 153 A 3.8054 8.0899 121.8472 55.5068 17.8069 179.5408 154 Q 3.9451 8.1927 116.2515 59.1200 28.5958 178.8865 155 Q 3.9668 7.8888 117.7935 58.9835 29.0268 178.2258 156 L 4.0327 8.7015 121.9971 58.3322 41.9701 178.9061 157 A 3.9440 8.1496 121.1656 54.8886 18.4773 178.6292 158 G 3.7811 8.0214 102.8088 46.4301 0.0000 173.9826 159 K 4.4631 7.6490 122.6258 55.6265 31.0412 176.1985 160 Q 4.0152 7.3506 119.9301 57.9847 29.5843 177.3924 161 S 4.6273 7.8031 112.3330 58.2823 63.8294 174.4236 162 L 4.2661 7.7372 126.3191 55.3348 41.6072 176.2759 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 8.29 4.46 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 102 K 8.32 3.83 0.00 1.94 1.85 0.00 1.47 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.58 7.81 103 P 0.00 4.56 0.00 2.07 2.06 0.00 3.69 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 2.02 2.06 0.00 104 V 8.05 3.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.03 0.00 0.00 105 T 8.93 5.11 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 106 L 8.65 3.56 0.00 1.69 1.69 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.06 3.96 0.00 3.01 3.04 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 0.00 108 D 7.59 4.37 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.62 3.83 1.92 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 0.49 0.00 0.00 0.77 0.00 0.00 110 A 8.32 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.96 0.00 2.40 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 2.40 2.53 0.00 112 Y 8.41 4.08 0.00 3.05 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 0.00 113 A 8.52 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.20 4.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 116 S 8.05 4.76 0.00 3.99 3.96 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 0.00 117 V 7.93 3.56 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 118 A 7.69 3.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 3.82 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 120 V 7.43 3.50 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 0.73 0.00 0.00 0.88 0.00 0.00 121 S 8.01 3.85 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.53 4.04 0.00 2.11 2.11 0.00 3.30 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 123 V 7.62 3.66 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 1.13 0.00 0.00 0.98 0.00 0.00 124 V 8.48 3.70 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 0.98 0.00 0.00 1.14 0.00 0.00 125 N 7.84 4.79 0.00 3.02 2.80 0.00 0.00 7.39 7.21 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 0.00 126 Q 7.92 3.32 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.05 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 127 A 8.88 3.19 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 0.00 128 S 9.11 4.46 0.00 4.06 4.09 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 0.00 129 H 7.91 5.00 0.00 3.05 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.69 4.44 2.09 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 0.86 0.00 0.00 0.96 0.00 0.00 131 S 8.57 4.25 0.00 4.08 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 0.00 132 A 8.65 3.96 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.03 3.89 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.59 7.81 134 T 7.71 3.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 135 R 8.44 3.87 0.00 1.79 2.17 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 136 E 8.19 4.03 0.00 2.26 1.98 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 2.33 2.49 0.00 137 K 8.28 3.84 0.00 1.95 2.00 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 138 V 8.11 3.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 139 E 8.31 3.97 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 140 A 8.43 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.73 4.17 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 8.62 3.99 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.37 0.00 143 A 8.14 4.04 1.42 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 0.00 0.00 144 E 7.83 3.94 0.00 1.76 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 145 L 7.30 3.96 0.00 1.52 1.62 0.64 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 146 N 7.54 4.09 0.00 2.87 2.90 0.00 0.00 7.13 7.21 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 0.00 147 Y 8.80 4.32 0.00 2.84 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 0.00 148 I 7.32 4.01 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.76 0.00 0.00 149 P 0.00 4.39 0.00 2.28 2.10 0.00 3.45 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 150 N 8.26 4.89 0.00 2.73 2.75 0.00 0.00 6.46 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.64 3.92 0.00 1.90 1.93 0.00 3.21 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 152 C 7.98 4.03 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.81 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.19 3.95 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 155 Q 7.89 3.97 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 156 L 8.70 4.03 0.00 1.82 1.67 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.15 3.94 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.02 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 4.46 0.00 1.87 1.91 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.38 7.81 160 Q 7.35 4.02 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 161 S 7.80 4.63 0.00 3.97 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 0.00 162 L 7.74 4.27 0.00 1.65 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00