NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0718 7.9133 120.3931 61.9481 33.0275 175.5935 6 P 4.0390 0.0000 0.0000 65.2031 31.2075 176.9413 7 I 3.6106 7.9268 117.2113 63.9586 38.3107 177.3546 8 K 4.0850 7.9982 120.1262 59.3961 31.8843 178.8645 9 V 3.6082 7.6245 117.9741 65.6222 31.6565 177.5729 10 L 4.0689 7.9641 120.2007 58.5400 42.0110 178.4488 11 H 4.2444 8.4726 116.5616 59.2315 28.4572 177.5112 12 E 4.1071 8.2818 118.5655 58.6652 29.4976 178.4347 13 A 4.2866 8.3424 120.5345 52.1364 18.8726 177.0996 14 E 4.1655 7.5456 117.7345 58.2465 29.8667 177.7151 15 G 3.9328 9.7962 112.8162 45.2018 0.0000 172.3954 16 H 5.0233 8.1280 116.3141 53.5457 32.6735 173.2854 17 I 4.4978 8.2878 120.9583 61.4794 37.6080 176.0802 18 V 4.7374 9.3361 119.7461 59.8277 36.3239 174.4575 19 T 4.9908 8.5397 118.6816 61.9603 71.4714 172.9126 20 C 5.0318 9.4112 126.7283 57.5550 34.4714 171.8917 21 E 4.8520 8.5483 128.6564 54.5990 31.2303 175.7349 22 T 4.6821 8.6629 117.9528 60.8141 70.3439 175.6060 23 N 4.4789 9.2507 119.2818 55.5955 38.6257 176.9757 24 T 4.3997 8.0288 107.0742 61.2169 68.9676 175.4546 25 G 3.9417 8.1235 109.2339 45.6585 0.0000 174.0063 26 E 4.4344 8.2195 119.5947 55.7598 31.4125 175.7388 27 V 4.6117 8.3758 122.3699 61.3757 34.4619 173.7466 28 Y 4.8463 9.3545 126.2217 56.1632 40.4816 174.6575 29 R 4.9563 9.0459 125.3942 54.2259 33.3223 175.2126 30 G 4.0329 8.1393 111.2596 46.2962 0.0000 170.8446 31 K 4.6845 7.7289 121.4886 55.9612 33.4569 176.5774 32 L 4.4004 8.9881 130.8836 55.1180 42.3321 177.1805 33 I 3.9457 8.9055 128.7998 63.9043 37.9056 176.3409 34 E 4.9740 7.9876 120.4324 54.9898 33.0964 173.4287 35 A 5.0839 9.4724 129.2874 50.3575 21.2446 176.5490 36 E 4.4862 9.2257 123.2989 55.2035 30.7834 177.5836 37 D 4.3870 8.6124 119.3352 57.1954 40.5884 177.3897 38 N 4.5865 8.1442 114.8402 52.7630 37.7314 175.8356 39 M 3.2081 8.1408 117.3207 55.8853 30.1477 176.1232 40 N 4.5254 8.6510 118.2840 53.4597 39.7719 173.7711 41 C 5.1838 8.7919 121.7390 58.0093 31.4872 172.8944 42 Q 5.0778 9.2497 123.3953 55.0390 30.0202 174.7204 43 M 5.4859 9.5132 124.0718 53.4583 36.4286 174.8838 44 S 4.9685 8.7728 115.2018 56.5184 66.9419 172.9835 45 N 4.3926 9.0345 118.0278 54.4241 36.3667 173.6376 46 I 4.7331 8.1067 112.6894 59.7866 41.4658 176.4307 47 T 5.1230 8.7713 120.1563 61.6928 71.1686 173.6005 48 V 4.3619 8.6684 126.2977 59.8503 34.4847 174.6828 49 T 4.6402 8.0405 120.8828 61.8703 70.7841 174.2200 50 Y 4.6102 8.6355 125.4822 56.8030 38.9962 176.8511 51 R 3.9253 8.7239 120.8629 59.4246 30.0572 176.5714 52 D 4.6354 8.1535 114.7114 53.1149 39.6885 176.9995 53 G 3.9681 8.2199 109.6198 45.1991 0.0000 174.3211 54 R 4.0536 8.1455 121.1158 56.6222 31.1600 175.3018 55 V 4.8787 8.4163 125.2863 61.2582 33.6724 174.2021 56 A 4.8980 8.9651 128.1655 50.5926 23.4454 174.3470 57 Q 5.0881 8.6242 116.8080 54.2316 32.0623 175.5282 58 L 4.8520 8.6929 122.0482 53.1177 45.5462 177.5704 59 E 4.0571 8.9814 122.2789 59.2482 30.6554 176.7907 60 Q 5.1009 7.8531 118.2975 54.7737 32.2999 174.1752 61 V 4.6592 9.3538 118.6804 59.6973 36.5189 173.9993 62 Y 5.1338 8.5858 123.1468 56.2053 40.9769 174.7264 63 I 4.1383 8.2365 129.1698 59.2312 39.3146 176.0990 64 R 4.1236 8.2537 126.7326 55.4335 31.0824 177.9154 65 G 3.7435 9.7238 110.9866 48.2084 0.0000 175.3019 66 C 4.3239 7.9552 112.0507 59.3193 29.9092 173.9520 67 K 4.3459 8.2138 120.1324 56.3781 32.5006 175.7782 68 I 4.3786 7.2512 120.7945 60.2417 38.3928 175.4904 69 R 4.4194 9.2259 126.4759 57.6923 30.4855 176.0188 70 F 5.0276 7.2642 111.3590 55.9388 41.2552 172.2332 71 L 5.3162 8.7096 118.5902 53.0841 45.1080 176.0117 72 I 4.5569 8.9806 123.5473 59.8022 39.1185 174.8617 73 L 5.1383 8.4288 126.7105 51.6852 44.4820 174.7248 74 P 4.1840 0.0000 0.0000 64.0919 31.6482 176.1195 75 D 4.6889 8.9694 119.9352 54.6837 40.5130 175.8195 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 5 V 7.91 4.07 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 0.98 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.04 0.00 2.27 2.10 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 7 I 7.93 3.61 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.22 0.93 0.00 0.00 8 K 8.00 4.09 0.00 1.89 1.93 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.52 7.81 9 V 7.62 3.61 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 0.85 0.00 0.00 0.93 0.00 0.00 10 L 7.96 4.07 0.00 1.77 1.72 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.47 4.24 0.00 3.34 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.28 4.11 0.00 2.15 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 0.00 2.36 2.48 0.00 13 A 8.34 4.29 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 14 E 7.55 4.17 0.00 2.03 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 2.40 2.53 0.00 15 G 9.80 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 0.00 0.00 0.00 16 H 8.13 5.02 0.00 3.24 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.29 4.50 1.90 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 1.37 0.75 0.95 0.00 0.00 18 V 9.34 4.74 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 0.75 0.00 0.00 1.01 0.00 0.00 19 T 8.54 4.99 4.31 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 0.00 0.00 0.00 1.22 0.00 0.00 20 C 9.41 5.03 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 21 E 8.55 4.85 0.00 1.41 1.12 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 0.00 1.91 2.17 0.00 22 T 8.66 4.68 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 1.31 0.00 0.00 23 N 9.25 4.48 0.00 2.76 2.91 0.00 0.00 7.06 7.89 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 24 T 8.03 4.40 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 1.23 0.00 0.00 25 G 8.12 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 26 E 8.22 4.43 0.00 2.14 1.70 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 2.54 2.41 0.00 27 V 8.38 4.61 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.86 0.00 0.00 28 Y 9.35 4.85 0.00 2.83 2.79 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 29 R 9.05 4.96 0.00 1.82 1.72 0.00 3.20 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 30 G 8.14 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.73 4.68 0.00 1.88 1.71 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.39 7.81 32 L 8.99 4.40 0.00 1.82 1.57 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.91 3.95 1.99 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 1.14 0.95 0.93 0.00 0.00 34 E 7.99 4.97 0.00 2.04 1.77 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 2.34 2.36 0.00 35 A 9.47 5.08 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.23 4.49 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 37 D 8.61 4.39 0.00 2.67 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 38 N 8.14 4.59 0.00 2.93 3.04 0.00 0.00 6.39 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 39 M 8.14 3.21 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 40 N 8.65 4.53 0.00 2.82 2.23 0.00 0.00 6.83 7.98 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 41 C 8.79 5.18 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 9.25 5.08 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 43 M 9.51 5.49 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 44 S 8.77 4.97 0.00 3.94 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 45 N 9.03 4.39 0.00 2.75 2.87 0.00 0.00 6.87 7.33 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 46 I 8.11 4.73 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 1.01 0.00 0.00 47 T 8.77 5.12 4.19 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 0.00 0.00 0.00 1.14 0.00 0.00 48 V 8.67 4.36 1.23 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 0.46 0.00 0.00 -0.68 0.00 0.00 49 T 8.04 4.64 4.07 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 0.00 0.00 1.14 0.00 0.00 50 Y 8.64 4.61 0.00 3.19 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 51 R 8.72 3.93 0.00 1.83 2.02 0.00 3.24 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 52 D 8.15 4.64 0.00 2.81 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 53 G 8.22 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 54 R 8.15 4.05 0.00 2.00 2.06 0.00 3.09 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 55 V 8.42 4.88 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 0.79 0.00 0.00 0.95 0.00 0.00 56 A 8.97 4.90 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 57 Q 8.62 5.09 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 58 L 8.69 4.85 0.00 1.65 1.58 1.13 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.98 4.06 0.00 1.95 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 0.00 2.41 2.33 0.00 60 Q 7.85 5.10 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 61 V 9.35 4.66 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 0.82 0.00 0.00 0.85 0.00 0.00 62 Y 8.59 5.13 0.00 2.80 2.81 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 63 I 8.24 4.14 1.60 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.36 0.67 0.00 0.00 64 R 8.25 4.12 0.00 1.76 1.84 0.00 3.16 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 65 G 9.72 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.96 4.32 0.00 3.07 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 67 K 8.21 4.35 0.00 1.80 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.47 7.81 68 I 7.25 4.38 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.88 0.00 0.00 69 R 9.23 4.42 0.00 1.87 1.96 0.00 3.39 0.00 0.00 3.32 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.51 0.00 70 F 7.26 5.03 0.00 3.12 3.08 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 0.00 0.00 0.00 71 L 8.71 5.32 0.00 1.53 1.61 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.98 4.56 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.96 0.00 0.00 73 L 8.43 5.14 0.00 1.51 1.55 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.18 0.00 2.07 2.04 0.00 3.73 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 1.87 1.92 0.00 75 D 8.97 4.69 0.00 2.74 2.92 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