NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3118 8.3049 120.3483 55.2885 33.3423 174.7862 1 N 4.4670 8.6654 123.5190 51.3785 38.7941 169.3434 2 V 4.3658 7.9757 123.6731 59.9604 34.7173 173.2217 3 P 5.0267 0.0000 0.0000 62.3264 32.2306 175.9175 4 D 4.6311 8.8536 119.9794 56.7787 42.2597 176.1576 5 M 5.3258 7.8534 116.5101 53.9715 36.5544 174.2051 6 I 5.0697 9.2338 125.0055 59.9350 41.5671 173.9395 7 L 5.2669 8.9063 128.3188 53.3490 43.7350 175.6312 8 Y 5.1511 8.3122 121.1809 54.7727 42.6374 174.1074 9 N 4.3741 8.9743 114.0479 54.8900 37.6841 172.2818 10 G 4.1368 8.2101 105.2799 44.6835 0.0000 171.6032 11 K 4.9514 8.4968 119.7180 54.6974 35.3604 175.7947 12 I 4.7708 8.7469 126.3742 59.6195 40.4552 175.1249 13 T 4.9757 8.8899 124.4806 62.8019 68.9370 174.2948 14 T 4.6833 8.7048 115.2214 59.5585 72.7581 173.7955 15 L 4.3774 8.3293 120.3004 54.7807 42.1418 176.1439 16 D 4.6448 7.8629 120.0449 52.3715 41.1242 175.1289 17 P 4.2260 0.0000 0.0000 65.6412 31.4165 177.7551 18 S 4.3897 8.5903 111.0106 59.7665 63.7108 174.8085 19 Q 4.7008 7.9420 121.7932 54.9216 30.4526 172.3624 20 P 4.6232 0.0000 0.0000 64.0333 32.7924 177.1146 21 E 5.1647 7.9671 121.0620 55.1112 33.8736 174.8577 22 V 4.6199 8.9555 117.0462 59.7534 36.2023 176.0504 23 S 5.4631 8.9868 113.6077 57.8529 64.8168 173.4195 24 A 5.0887 8.2244 122.2484 50.7757 22.9877 174.9662 25 I 5.1174 9.2998 119.8830 59.2193 42.2724 173.6723 26 A 5.3047 9.1841 129.5842 50.1857 22.0058 175.2226 27 I 4.9783 9.0075 122.4717 59.7309 41.0293 174.7359 28 T 4.5799 8.7882 123.0413 62.8772 71.8114 173.5465 29 D 3.8647 10.6100 120.9961 56.0626 38.1170 173.1978 30 G 4.0206 8.1563 109.2286 46.3975 0.0000 171.8437 31 L 4.8049 7.8464 121.8697 52.3032 44.7291 176.0139 32 I 4.2385 8.3111 123.1650 61.9761 37.4195 176.1667 33 T 4.2703 8.6414 122.3180 64.6916 69.6942 174.6701 34 A 4.4569 7.2062 120.8823 51.7938 21.6616 175.1665 35 V 5.0127 8.8334 111.9461 59.1402 36.8986 177.7361 36 G 4.2413 7.0496 110.4988 46.4603 0.0000 172.3665 37 G 4.7937 9.3354 116.4434 43.5092 0.0000 172.6966 38 D 4.5559 8.6795 119.1956 55.0055 39.2896 177.6302 39 E 4.0249 8.0964 119.5411 59.2776 29.6315 178.6339 40 L 3.9439 7.8975 120.2863 57.6645 41.5579 179.1162 41 L 4.0198 7.7978 118.4941 57.1070 41.2113 178.8334 42 N 4.4674 8.0772 116.2025 55.2835 38.5567 176.5050 43 S 4.4048 7.7846 113.9154 58.4151 63.8644 174.4356 44 A 4.2428 6.8520 125.4250 52.2893 18.9958 176.1402 45 T 4.7474 7.9359 107.5827 59.6862 72.2895 175.0293 46 E 3.9323 8.8341 120.8252 59.7419 29.4979 179.4696 47 K 4.1346 7.9370 116.7353 58.8222 32.5368 177.3929 48 T 4.3212 8.0352 110.6696 61.4961 69.3268 174.7638 49 K 4.4355 9.6946 128.0221 55.7847 33.4772 176.0563 50 K 5.2032 8.6957 123.2564 55.1419 35.4631 175.3866 51 I 4.4476 9.1468 124.3433 59.4064 40.3089 174.5703 52 D 3.6823 8.6363 127.7169 52.9077 40.5196 176.0395 53 L 3.9741 8.5337 128.2949 55.4097 41.9704 177.6307 54 K 3.7489 9.0746 118.0313 57.5864 30.0721 175.5028 55 R 3.9076 8.5329 112.3430 56.9029 28.7505 177.2805 56 K 4.3081 7.8786 118.2656 56.0730 33.5662 176.0504 57 R 4.6799 8.4490 122.5799 55.9129 30.9899 175.1655 58 A 4.7887 8.7824 128.6136 50.3785 20.6584 176.3876 59 I 4.5905 8.1137 122.2370 58.4493 40.9399 173.7803 60 P 4.3417 0.0000 0.0000 62.3497 31.7878 176.8420 61 G 3.8073 8.3654 111.1440 44.7158 0.0000 173.3297 62 L 4.0125 8.3337 120.3992 55.1715 41.9296 177.6031 63 N 4.8968 8.3724 121.2378 51.2059 39.3303 171.8382 64 D 4.7647 7.8345 120.5882 51.9402 44.6025 176.2778 65 S 4.2024 8.7299 119.7686 60.8920 63.0701 174.4988 66 H 4.7375 8.7261 117.0127 55.5367 29.1210 174.6245 67 I 4.5317 7.6153 120.7170 59.4345 39.5655 174.3503 68 H 4.6912 8.6661 123.5188 54.1195 31.5772 173.0918 69 V 3.8419 8.0762 127.1488 61.8511 31.8779 175.2807 70 I 4.0057 8.3382 128.8177 61.2296 37.0019 175.7844 71 R 4.3890 8.4677 124.7340 56.0455 31.5993 176.8468 72 G 3.9034 8.7380 107.4113 45.9474 0.0000 173.3372 73 L 4.3714 7.7369 118.9252 53.7048 42.7298 176.7236 74 E 4.2639 8.6557 121.2147 56.5206 29.6977 175.8635 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 0 M 8.30 4.31 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 1 N 8.67 4.47 0.00 2.83 2.76 0.00 0.00 6.73 6.79 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 2 V 7.98 4.37 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 0.86 0.00 0.00 0.93 0.00 0.00 3 P 0.00 5.03 0.00 2.38 2.03 0.00 3.54 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 4 D 8.85 4.63 0.00 2.63 2.75 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 5 M 7.85 5.33 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 6 I 9.23 5.07 1.91 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 1.24 0.51 0.96 0.00 0.00 7 L 8.91 5.27 0.00 1.67 1.57 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.31 5.15 0.00 3.00 3.02 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 0.00 0.00 0.00 9 N 8.97 4.37 0.00 3.01 2.67 0.00 0.00 6.51 8.28 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 10 G 8.21 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 11 K 8.50 4.95 0.00 1.70 1.70 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.36 7.81 12 I 8.75 4.77 1.88 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 1.23 0.71 0.91 0.00 0.00 13 T 8.89 4.98 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 1.25 0.00 0.00 14 T 8.70 4.68 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 1.22 0.00 0.00 15 L 8.33 4.38 0.00 1.65 1.71 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.86 4.64 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.08 2.12 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 18 S 8.59 4.39 0.00 3.95 3.98 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 19 Q 7.94 4.70 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 20 P 0.00 4.62 0.00 2.15 2.29 0.00 3.88 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 2.07 1.84 0.00 21 E 7.97 5.16 0.00 1.91 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 2.43 0.00 22 V 8.96 4.62 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 23 S 8.99 5.46 0.00 3.94 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 24 A 8.22 5.09 1.33 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 0.00 0.00 0.00 25 I 9.30 5.12 1.89 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 1.18 1.58 0.93 0.00 0.00 26 A 9.18 5.30 1.25 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 0.00 0.00 27 I 9.01 4.98 1.88 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 1.24 0.71 0.92 0.00 0.00 28 T 8.79 4.58 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 1.26 0.00 0.00 29 D 10.61 3.86 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.16 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.85 4.80 0.00 1.65 1.53 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.31 4.24 1.87 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 1.42 0.74 0.92 0.00 0.00 33 T 8.64 4.27 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 34 A 7.21 4.46 1.20 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 0.00 0.00 0.00 35 V 8.83 5.01 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 0.77 0.00 0.00 0.94 0.00 0.00 36 G 7.05 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 0.00 0.00 0.00 0.00 37 G 9.34 4.79 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 38 D 8.68 4.56 0.00 2.89 2.99 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 0.00 0.00 0.00 39 E 8.10 4.02 0.00 2.16 2.24 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 2.35 2.34 0.00 40 L 7.90 3.94 0.00 1.94 1.76 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.80 4.02 0.00 1.65 1.53 0.10 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.08 4.47 0.00 2.75 2.85 0.00 0.00 6.97 7.94 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 43 S 7.78 4.40 0.00 4.02 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 44 A 6.85 4.24 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 45 T 7.94 4.75 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 1.20 0.00 0.00 46 E 8.83 3.93 0.00 1.97 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 0.00 2.32 2.33 0.00 47 K 7.94 4.13 0.00 1.74 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 48 T 8.04 4.32 4.27 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 1.27 0.00 0.00 49 K 9.69 4.44 0.00 1.82 1.79 0.00 1.49 0.00 0.00 1.96 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.44 7.81 50 K 8.70 5.20 0.00 1.90 1.79 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.51 7.81 51 I 9.15 4.45 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 1.13 0.72 0.86 0.00 0.00 52 D 8.64 3.68 0.00 2.41 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.53 3.97 0.00 1.83 1.61 0.88 0.72 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 54 K 9.07 3.75 0.00 1.75 1.79 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.51 7.81 55 R 8.53 3.91 0.00 1.89 2.02 0.00 3.31 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 56 K 7.88 4.31 0.00 1.70 1.69 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.51 7.81 57 R 8.45 4.68 0.00 1.81 1.81 0.00 3.21 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 58 A 8.78 4.79 1.20 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 0.00 0.00 0.00 59 I 8.11 4.59 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 0.71 0.91 0.00 0.00 60 P 0.00 4.34 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 61 G 8.37 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.33 4.01 0.00 1.64 1.64 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.37 4.90 0.00 2.69 2.66 0.00 0.00 6.87 8.47 0.00 0.00 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 D 7.83 4.76 0.00 2.76 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.73 4.20 0.00 3.92 3.93 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 66 H 8.73 4.74 0.00 3.18 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.62 4.53 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.92 0.00 0.00 68 H 8.67 4.69 0.00 3.05 3.18 0.00 5.92 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.08 3.84 2.01 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 0.84 0.00 0.00 0.90 0.00 0.00 70 I 8.34 4.01 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.94 0.00 0.00 71 R 8.47 4.39 0.00 1.80 1.84 0.00 3.41 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 72 G 8.74 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 73 L 7.74 4.37 0.00 1.65 1.61 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.66 4.26 0.00 1.92 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 2.33 0.00