NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5084 8.3044 120.3517 55.7703 32.2500 172.0922 2 I 2.7669 8.2202 128.1911 58.5301 38.7385 168.1923 3 V 2.9569 8.4104 126.8308 61.7845 32.7053 173.8078 4 P 4.2718 0.0000 0.0000 62.0914 31.8396 176.5865 5 V 3.7183 8.1368 121.7167 63.4202 32.1969 174.9311 6 R 3.6056 8.2409 120.7895 55.8855 29.1371 175.1558 7 C 4.2412 8.1021 120.3865 57.4668 32.8668 174.0535 8 F 4.3501 8.0085 126.5815 60.4966 38.5683 176.5596 9 S 4.7192 8.0247 111.6401 58.2854 64.2231 172.9251 10 C 4.6717 8.5272 113.6677 58.3206 42.9340 174.6763 11 G 3.5198 8.4878 105.8854 44.5966 0.0000 173.6495 12 K 3.8066 8.2433 122.2663 56.3306 32.2872 175.8765 13 V 3.7534 8.3181 119.2789 62.4851 31.7313 176.3939 14 V 4.2875 8.4528 116.4748 60.8097 33.3853 177.6541 15 G 3.7802 8.1790 107.5489 48.2429 0.0000 174.9811 16 D 4.4872 8.1614 120.9675 56.0990 39.3876 178.6050 17 K 4.1680 8.0616 118.9965 59.2787 31.9936 177.8259 18 W 4.4492 8.2993 128.8511 60.4220 30.1811 177.1939 19 E 3.8949 8.5126 120.8873 59.8263 29.4532 179.7995 20 S 4.1964 8.0238 114.4210 61.8715 62.9159 175.4801 21 Y 4.1954 8.3246 121.0972 61.1873 38.3176 178.2571 22 L 3.6455 7.4158 119.0415 57.3424 41.3761 179.2747 23 N 4.3366 7.9467 116.7293 56.0392 38.3747 177.3986 24 L 4.3608 7.4520 116.0283 56.1904 40.4291 177.3264 25 L 4.2168 7.3032 121.7569 56.5381 42.4027 178.1245 26 Q 4.3467 7.3956 114.4927 55.8847 31.1501 175.0282 27 E 4.0081 9.3032 117.9510 57.6365 29.9241 177.0481 28 D 4.5082 7.7062 128.7659 52.0895 38.8994 175.1741 29 E 3.8313 7.6942 124.7308 54.1580 28.4060 176.5358 30 L 4.9240 8.2308 124.2350 52.7929 46.4677 176.0685 31 D 4.6181 8.5691 121.0710 52.6612 40.6815 177.0427 32 E 4.1109 9.2076 121.1303 60.4106 29.8304 179.2611 33 G 3.7859 8.3631 104.5207 48.9348 0.0000 175.4469 34 T 3.9547 8.7218 117.7127 65.6089 68.3136 176.8054 35 A 4.0728 7.9824 122.5144 55.1225 18.4847 179.5933 36 L 4.1592 8.1496 116.8549 57.3501 41.6180 179.5712 37 S 4.3039 7.8436 114.8382 60.7871 63.1131 176.1689 38 R 3.9192 7.8547 120.8006 59.2173 29.8665 176.9770 39 L 4.2394 7.5617 114.0760 54.7810 41.6861 177.6096 40 G 3.9038 8.0803 107.2669 45.5829 0.0000 174.8769 41 L 4.3498 7.4298 120.6326 53.3609 40.0650 176.1790 42 K 4.3007 8.2288 121.9995 57.2134 34.0587 178.2635 43 R 4.5765 7.5961 117.3381 54.7373 32.1547 176.7154 44 Y 4.1632 8.0625 120.8895 60.1073 38.1910 177.5146 45 C 4.1727 7.3243 115.9023 61.8056 29.2227 176.2801 46 C 4.5479 7.8194 116.0192 57.1087 40.4102 174.8528 47 R 4.2354 8.0681 121.3065 57.9700 30.1294 178.5113 48 R 4.0968 9.0332 116.4705 58.6985 29.2932 178.4627 49 M 3.6857 7.5786 119.1293 58.1875 32.3873 177.2384 50 I 4.1997 7.4290 118.6815 63.0436 37.9797 177.5772 51 L 3.9074 7.7919 120.3483 57.9379 41.8863 178.3817 52 T 4.4050 7.2109 114.0166 64.0796 69.3874 175.1049 53 H 3.9309 7.2735 119.9052 56.6341 30.0663 174.2464 54 V 4.0735 8.0346 126.6984 61.4012 31.5762 176.3619 55 D 4.4095 8.1882 128.0065 54.0628 38.7926 175.8094 56 L 3.8664 7.9408 122.6637 55.4947 42.2305 177.9573 57 I 4.2743 7.7765 119.3760 64.2963 37.8523 177.0567 58 E 4.0076 7.5838 118.1183 59.6195 29.2867 179.0414 59 K 4.0178 7.9132 118.7255 58.8626 32.4233 178.6449 60 F 4.4011 7.9779 118.3130 60.8070 38.7039 177.5431 61 L 4.1144 8.2667 117.4414 57.8136 41.4500 179.1699 62 R 3.9120 7.3152 117.5639 58.4903 30.0979 176.4651 63 Y 4.4993 6.7896 114.8504 57.6275 37.9693 174.1416 64 N 4.5495 8.2369 120.6249 54.1845 39.9209 173.2868 65 P 4.4903 0.0000 0.0000 62.8771 31.7331 175.8410 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 1 M 8.30 4.51 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.43 0.00 2 I 8.22 2.77 1.84 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 1.21 0.65 0.83 0.00 0.00 3 V 8.41 2.96 1.90 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 0.71 0.00 0.00 0.39 0.00 0.00 4 P 0.00 4.27 0.00 1.81 1.84 0.00 3.45 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 5 V 8.14 3.72 2.06 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 0.78 0.00 0.00 0.91 0.00 0.00 6 R 8.24 3.61 0.00 1.91 1.83 0.00 3.29 0.00 0.00 2.52 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 7 C 8.10 4.24 0.00 2.77 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 8 F 8.01 4.35 0.00 3.07 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 9 S 8.02 4.72 0.00 3.96 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.53 4.67 0.00 3.00 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 11 G 8.49 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.24 3.81 0.00 1.76 1.68 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.45 7.81 13 V 8.32 3.75 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 14 V 8.45 4.29 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 0.90 0.00 0.00 0.88 0.00 0.00 15 G 8.18 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 16 D 8.16 4.49 0.00 2.87 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 17 K 8.06 4.17 0.00 2.16 1.97 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.52 7.81 18 W 8.30 4.45 0.00 3.35 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 19 E 8.51 3.89 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 20 S 8.02 4.20 0.00 4.05 3.91 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 21 Y 8.32 4.20 0.00 2.80 2.93 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 0.00 0.00 0.00 0.00 22 L 7.42 3.65 0.00 1.60 1.46 -0.22 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.95 4.34 0.00 2.68 2.78 0.00 0.00 6.75 6.86 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 24 L 7.45 4.36 0.00 1.67 1.70 0.96 0.61 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 25 L 7.30 4.22 0.00 1.54 1.46 0.42 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.40 4.35 0.00 1.83 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.11 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 27 E 9.30 4.01 0.00 2.10 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 2.28 2.34 0.00 28 D 7.71 4.51 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.69 3.83 0.00 1.86 1.90 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 2.28 2.33 0.00 30 L 8.23 4.92 0.00 1.61 1.46 0.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.57 4.62 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.21 4.11 0.00 2.03 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 2.41 2.47 0.00 33 G 8.36 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 34 T 8.72 3.95 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 1.22 0.00 0.00 35 A 7.98 4.07 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 36 L 8.15 4.16 0.00 1.95 1.74 0.94 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.84 4.30 0.00 4.01 3.91 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 38 R 7.85 3.92 0.00 1.80 1.99 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 39 L 7.56 4.24 0.00 1.76 1.71 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.08 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 0.00 0.00 0.00 41 L 7.43 4.35 0.00 1.96 1.71 0.90 0.81 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 42 K 8.23 4.30 0.00 1.87 1.94 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.40 7.81 43 R 7.60 4.58 0.00 1.84 1.98 0.00 2.89 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 44 Y 8.06 4.16 0.00 3.30 3.25 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 45 C 7.32 4.17 0.00 3.07 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 46 C 7.82 4.55 0.00 2.88 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 47 R 8.07 4.24 0.00 2.01 1.99 0.00 3.19 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 48 R 9.03 4.10 0.00 1.98 2.25 0.00 2.83 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 49 M 7.58 3.69 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 50 I 7.43 4.20 1.66 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.26 0.00 0.00 51 L 7.79 3.91 0.00 1.74 1.72 1.00 0.83 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 52 T 7.21 4.40 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 53 H 7.27 3.93 0.00 3.22 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.03 4.07 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 0.83 0.00 0.00 0.99 0.00 0.00 55 D 8.19 4.41 0.00 2.89 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 56 L 7.94 3.87 0.00 1.90 1.37 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.78 4.27 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 1.02 0.00 0.00 58 E 7.58 4.01 0.00 1.95 2.06 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 2.61 2.60 0.00 59 K 7.91 4.02 0.00 1.68 1.52 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.40 7.81 60 F 7.98 4.40 0.00 3.38 3.05 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 0.00 0.00 0.00 61 L 8.27 4.11 0.00 1.78 1.79 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.32 3.91 0.00 1.68 1.63 0.00 3.25 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 63 Y 6.79 4.50 0.00 3.21 2.83 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 0.00 0.00 0.00 64 N 8.24 4.55 0.00 2.74 2.77 0.00 0.00 7.00 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.49 0.00 2.23 2.02 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00