NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3862 0.0000 0.0000 62.3205 32.6208 175.4966 4 R 4.3453 8.1766 121.6652 53.8923 31.8142 175.1020 5 P 4.2420 0.0000 0.0000 65.7755 32.2956 178.7867 6 L 3.8409 7.8710 117.2084 57.6942 41.4874 179.0803 7 D 4.4040 7.8495 118.5468 57.1190 40.4192 179.0297 8 V 3.5581 7.3833 118.3043 65.9529 31.8706 177.7346 9 L 3.9233 7.5806 118.2354 57.5626 41.3560 178.8781 10 N 4.5666 8.0776 117.3541 56.6270 38.7731 176.4067 11 R 4.2785 7.5523 113.2204 57.0438 29.8299 177.3886 12 S 4.6593 7.8247 115.3896 57.4304 63.6659 173.8569 13 L 4.2209 7.2707 122.9022 56.1723 41.6943 177.0886 14 K 3.9658 9.5335 122.7600 57.3239 30.1487 175.4959 15 S 4.7961 7.7063 111.9456 55.6747 66.4041 171.3054 16 P 5.0112 0.0000 0.0000 62.9865 32.4546 175.8142 17 V 5.0448 9.1195 116.4355 59.9287 36.9705 174.0080 18 I 4.9191 9.0925 122.6321 59.6111 40.2125 175.0915 19 V 4.6311 9.1410 126.9276 61.1253 33.9022 174.1230 20 R 4.4581 7.7269 129.2639 55.2377 31.4516 175.3079 21 L 5.2637 8.4872 125.2190 52.2999 45.5362 175.9951 22 K 4.0017 8.5408 120.3438 58.0468 32.3324 177.6309 23 G 3.9436 8.6052 110.9896 44.6504 0.0000 174.4258 24 G 4.0094 7.4195 105.5679 44.8358 0.0000 174.0833 25 R 4.4187 7.7938 120.8147 55.9333 31.3733 174.7571 26 E 5.1583 8.7648 125.5050 54.4623 33.8334 174.2157 27 F 5.3232 8.9877 121.8714 55.8206 43.6293 174.0671 28 R 5.0458 8.7214 121.6780 54.9247 33.3377 174.8750 29 G 4.5025 8.5760 110.1007 45.9066 0.0000 171.0396 30 T 4.8983 8.7441 117.1711 62.3649 70.0782 174.6452 31 L 4.5445 8.7333 129.1981 55.2098 42.6147 176.4282 32 D 4.5765 8.9490 125.3660 54.3545 43.6954 175.4553 33 G 4.2108 7.8411 103.1792 46.3547 0.0000 171.6560 34 Y 5.9963 8.0312 116.7818 57.3679 40.7555 172.6009 35 D 4.9505 8.3372 118.8113 51.2343 42.8232 176.1904 36 I 3.7222 8.4408 118.7583 65.1368 36.9186 177.3689 37 H 4.3792 8.0594 114.5468 56.6271 28.5673 174.7708 38 M 3.2533 8.3313 118.9630 56.5583 30.9899 175.7424 39 N 4.9131 8.6257 113.7647 52.8480 40.2057 174.4879 40 L 5.4322 8.9674 120.8331 53.0486 46.8182 175.5573 41 V 4.8107 8.6446 119.9083 61.2280 34.6857 174.2908 42 L 5.3418 8.6157 127.0855 52.9222 45.3011 175.4489 43 L 4.9534 8.9295 121.9391 53.0649 45.0612 175.7334 44 D 4.2623 7.7552 119.2744 55.5447 40.1690 172.8134 45 A 5.1733 8.2013 121.0928 50.5030 22.7936 176.9904 46 E 5.0138 8.9690 119.6379 54.4205 32.2245 175.1792 47 E 3.4427 8.7251 126.6094 55.7172 31.1957 175.3805 48 I 4.7908 8.7432 127.7640 59.8031 40.3069 174.1789 49 Q 4.6925 8.5062 126.4760 55.2941 30.3949 176.9528 50 N 4.0927 10.2156 118.0223 53.4739 37.2183 174.5622 51 G 4.2661 8.1973 106.9375 45.1411 0.0000 173.3098 52 E 4.4844 8.5828 117.6087 53.6088 32.1607 174.6860 53 V 3.7243 8.4319 122.2825 63.8480 30.5655 175.4027 54 V 4.0437 8.2050 119.5717 60.4701 31.8831 175.9795 55 R 4.3564 6.9761 120.8538 56.3289 33.2863 173.1134 56 K 4.7165 8.6421 123.0909 55.3520 33.9579 175.0459 57 V 4.4641 8.7758 121.1754 59.4069 34.4849 176.7401 58 G 4.0939 8.5447 109.8453 46.2242 0.0000 172.7696 59 S 4.9772 7.6708 111.2394 57.5217 65.4381 175.1178 60 V 4.3443 8.2089 125.5753 61.7305 35.2965 172.5554 61 V 4.6307 8.3444 127.7458 61.4440 32.9483 174.5705 62 I 4.5052 8.8280 129.0587 59.2957 40.0019 175.4284 63 R 4.4345 8.6172 126.2994 55.7524 30.9037 177.2883 64 G 3.9151 10.2262 114.1839 48.5652 0.0000 175.0659 65 D 4.4264 8.2497 118.4616 57.3127 40.9804 178.0741 66 T 4.1704 8.0125 114.4146 64.6374 68.9979 174.8561 67 V 4.1148 7.7952 122.4120 62.6949 32.3028 175.0683 68 V 4.3506 8.3868 126.8946 64.3083 32.7567 175.4405 69 F 5.0851 7.2952 112.9243 55.8143 41.3770 172.8491 70 V 5.0517 8.5491 118.7723 61.3921 34.2626 174.3807 71 S 4.8037 9.4187 122.4311 55.6870 65.5603 171.6065 72 P 4.8676 0.0000 0.0000 62.3142 32.0554 175.9809 73 A 4.1592 8.6303 124.8049 51.0773 19.1030 176.2362 74 P 4.3483 0.0000 0.0000 63.1977 31.4446 176.2590 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 3 P 0.00 4.39 0.00 2.05 2.05 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 4 R 8.18 4.35 0.00 2.25 1.84 0.00 3.15 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 5 P 0.00 4.24 0.00 2.13 2.07 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 L 7.87 3.84 0.00 1.76 1.83 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.85 4.40 0.00 2.92 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 8 V 7.38 3.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 9 L 7.58 3.92 0.00 0.86 0.91 0.49 0.45 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 10 N 8.08 4.57 0.00 3.06 3.10 0.00 0.00 6.92 7.19 0.00 0.00 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 R 7.55 4.28 0.00 1.99 2.03 0.00 3.09 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 12 S 7.82 4.66 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 13 L 7.27 4.22 0.00 1.76 1.67 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.53 3.97 0.00 1.90 1.95 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.38 7.81 15 S 7.71 4.80 0.00 3.80 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 16 P 0.00 5.01 0.00 2.13 1.98 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 17 V 9.12 5.04 2.19 0.00 0.00 0.00 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 1.00 0.00 0.00 18 I 9.09 4.92 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 1.00 0.00 0.00 19 V 9.14 4.63 2.16 0.00 0.00 0.00 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 0.94 0.00 0.00 20 R 7.73 4.46 0.00 1.17 0.66 0.00 3.15 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.38 0.00 21 L 8.49 5.26 0.00 1.65 1.61 1.09 0.68 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 22 K 8.54 4.00 0.00 1.73 1.74 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.28 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 23 G 8.61 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 24 G 7.42 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 0.00 0.00 0.00 25 R 7.79 4.42 0.00 1.83 1.74 0.00 3.15 0.00 0.00 3.17 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.23 0.00 26 E 8.76 5.16 0.00 1.97 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 27 F 8.99 5.32 0.00 3.04 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.72 5.05 0.00 1.72 1.85 0.00 3.18 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 29 G 8.58 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.74 4.90 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 1.23 0.00 0.00 31 L 8.73 4.54 0.00 1.81 1.74 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.95 4.58 0.00 2.62 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 33 G 7.84 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 0.00 0.00 0.00 0.00 34 Y 8.03 6.00 0.00 2.92 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 35 D 8.34 4.95 0.00 2.86 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 36 I 8.44 3.72 1.73 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 1.42 0.51 0.88 0.00 0.00 37 H 8.06 4.38 0.00 3.34 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.33 3.25 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 39 N 8.63 4.91 0.00 2.98 2.79 0.00 0.00 6.82 6.88 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 40 L 8.97 5.43 0.00 1.50 1.51 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.64 4.81 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 0.95 0.00 0.00 0.91 0.00 0.00 42 L 8.62 5.34 0.00 1.44 1.43 0.80 0.48 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 43 L 8.93 4.95 0.00 1.51 1.52 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.76 4.26 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 45 A 8.20 5.17 1.32 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 0.00 0.00 46 E 8.97 5.01 0.00 1.93 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 2.25 2.26 0.00 47 E 8.73 3.44 0.00 1.91 1.68 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 1.97 1.47 0.00 48 I 8.74 4.79 1.76 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 1.17 0.72 0.89 0.00 0.00 49 Q 8.51 4.69 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.02 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 50 N 10.22 4.09 0.00 3.01 2.90 0.00 0.00 7.24 7.65 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 51 G 8.20 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 0.00 0.00 0.00 0.00 52 E 8.58 4.48 0.00 2.03 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 2.31 2.33 0.00 53 V 8.43 3.72 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 0.85 0.00 0.00 0.92 0.00 0.00 54 V 8.21 4.04 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 0.74 0.00 0.00 0.91 0.00 0.00 55 R 6.98 4.36 0.00 1.88 1.76 0.00 3.18 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 56 K 8.64 4.72 0.00 1.74 1.68 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.55 7.81 57 V 8.78 4.46 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 0.75 0.00 0.00 1.03 0.00 0.00 58 G 8.54 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 0.00 0.00 0.00 59 S 7.67 4.98 0.00 3.81 3.66 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 0.00 0.00 0.00 0.00 60 V 8.21 4.34 1.68 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 0.50 0.00 0.00 0.72 0.00 0.00 61 V 8.34 4.63 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 0.83 0.00 0.00 0.90 0.00 0.00 62 I 8.83 4.51 1.81 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.40 0.91 0.00 0.00 63 R 8.62 4.43 0.00 1.84 1.86 0.00 3.31 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 64 G 10.23 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 65 D 8.25 4.43 0.00 2.68 2.78 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 66 T 8.01 4.17 4.38 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 1.23 0.00 0.00 67 V 7.80 4.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.02 0.00 0.00 68 V 8.39 4.35 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 0.98 0.00 0.00 0.97 0.00 0.00 69 F 7.30 5.09 0.00 3.07 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 70 V 8.55 5.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 71 S 9.42 4.80 0.00 3.92 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 72 P 0.00 4.87 0.00 1.98 1.98 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 73 A 8.63 4.16 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.35 0.00 2.06 2.03 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00