NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.2539 8.1631 112.9169 60.2202 68.8733 172.7728 13 G 3.7054 8.2776 116.7354 43.3334 0.0000 168.9153 14 K 4.2924 8.3127 123.8582 56.8934 36.3724 175.9745 15 Q 2.7265 8.1383 115.0538 57.1535 27.6949 174.2636 16 L 4.2993 8.0647 128.4789 52.8187 41.4290 174.6842 17 V 3.7147 7.9666 123.9634 62.0283 31.2354 175.7637 18 I 3.9714 8.1985 129.2949 61.5549 37.4584 176.2065 19 Q 4.5506 9.3593 125.6097 57.3506 29.9277 175.4071 20 E 4.7378 7.8051 114.9108 55.6718 33.0994 174.9876 21 S 4.9588 8.4505 115.9464 57.4025 65.9213 173.2756 22 I 4.2904 8.5922 126.8445 59.7214 38.8495 174.9716 23 L 5.0343 8.4877 129.4193 54.7222 42.6829 175.5255 24 M 5.0237 9.1103 125.8362 53.3824 36.1467 175.6066 25 L 4.5227 9.1815 121.8493 53.3317 43.1026 176.4352 26 P 4.0791 0.0000 0.0000 66.5318 31.0291 178.5063 27 E 4.0036 8.0921 117.1933 58.2725 29.1215 178.9156 28 E 4.1281 7.8314 118.6050 59.0023 29.9088 178.8860 29 V 3.7536 7.6094 117.7961 65.9593 31.6942 177.1569 30 E 4.8226 8.3586 120.8769 59.0308 29.1699 178.4149 31 E 3.9076 7.6051 116.2243 58.5564 29.5210 177.2744 32 V 4.2321 8.0404 114.9974 64.6648 33.3627 177.0669 33 I 3.8858 7.7201 118.0279 64.2328 37.1878 176.5504 34 G 4.1368 8.3925 106.4814 45.3963 0.0000 173.5007 35 N 4.9176 8.0270 115.9094 51.5692 40.4995 173.4964 36 K 4.8612 8.4099 120.7862 53.8449 34.0403 174.2337 37 P 3.7817 0.0000 0.0000 62.3478 31.7071 176.2992 38 E 4.3533 8.3766 119.7466 56.1112 29.6989 175.9457 39 S 4.4944 6.7681 112.8790 58.5035 66.2357 174.7643 40 D 4.6494 8.3990 118.6623 54.8685 42.0020 175.7325 41 I 4.8016 8.6772 121.3774 59.4713 41.7657 174.6470 42 L 5.0549 9.1164 124.5464 53.0411 44.5749 176.1201 43 V 4.0235 9.3891 127.0206 62.3218 32.6918 174.7238 44 H 5.2724 8.9954 127.1726 55.0248 30.0579 174.3990 45 T 5.2522 8.7506 120.7785 61.6087 71.2358 173.4844 46 A 5.1469 8.9356 127.6726 50.4390 21.7851 175.3045 47 Y 4.9619 8.7863 124.2513 56.4171 42.0411 174.3218 48 D 3.9615 6.0500 114.0460 53.1472 43.9393 175.3188 49 E 4.5403 8.6628 132.6233 57.4283 30.2164 177.6519 50 S 4.5352 7.6077 113.5304 59.3971 63.9372 177.5627 51 T 4.3111 7.6607 107.8462 60.2307 68.2185 173.6457 52 D 4.2297 7.6248 121.0028 55.7430 40.2028 171.9569 53 E 5.0213 7.6996 116.6999 54.4450 32.7887 175.0138 54 N 5.1541 9.1371 122.8008 51.6630 41.4027 173.7313 55 V 4.3524 8.5037 125.5110 61.9114 33.1124 174.5567 56 M 5.2970 9.0863 127.7664 53.3770 35.7520 174.4549 57 L 5.0495 8.8016 125.0324 53.4093 44.8319 174.9263 58 L 5.3198 9.2232 128.3502 53.8661 43.3437 176.1495 59 T 5.3757 8.6278 113.4252 59.4110 72.9526 173.4075 60 S 4.8583 8.5118 116.7674 57.1449 64.5480 172.9374 61 D 4.6296 8.4837 119.4018 53.7678 42.2899 175.2962 62 A 2.9917 8.3352 124.4483 51.4571 18.8234 175.7343 63 P 4.1359 0.0000 0.0000 63.1556 31.8558 177.6415 64 E 3.9044 7.5797 115.3807 59.1857 29.8467 182.7129 65 Y 3.9974 7.2464 113.4136 58.0427 36.1495 169.6525 66 K 4.0124 7.8057 121.7250 56.3184 33.1304 174.1584 67 P 4.5245 0.0000 0.0000 63.7719 31.5029 174.6304 68 W 4.8274 9.8404 132.2962 58.4328 33.0331 174.8959 69 A 4.9524 7.9640 118.8483 50.2235 23.0401 173.6161 70 L 5.1543 9.1235 120.7243 53.2895 45.5216 175.4462 71 V 4.9599 9.0568 125.6429 61.2004 34.4586 173.8792 72 I 4.9002 8.9248 128.7458 59.5633 39.9088 174.3888 73 Q 5.4681 9.0889 127.2551 53.3967 32.6180 174.2437 74 D 5.0356 8.5619 124.9670 51.6972 41.9590 177.3033 75 S 4.2201 7.7702 113.0574 61.4616 62.8266 175.7623 76 N 4.7824 8.1479 115.4762 52.6142 37.2221 175.6696 77 G 3.8829 8.7207 105.6791 46.3042 0.0000 173.6536 78 E 4.2982 7.8586 121.6986 55.6317 30.9849 174.9638 79 N 5.3215 8.7148 123.3789 51.6131 41.0906 174.5735 80 K 4.4052 9.9317 124.4983 55.1121 33.1559 175.3481 81 I 4.7487 8.0631 125.5062 60.0381 39.3315 175.5749 82 K 4.4655 8.5587 125.5471 55.5708 35.8602 174.7181 83 M 4.2688 8.5364 127.0857 54.5810 33.2881 176.2339 84 L 4.3265 8.6160 122.1549 54.8316 41.7406 176.4068 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 12 T 8.16 4.25 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 13 G 8.28 3.71 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 0.00 0.00 0.00 14 K 8.31 4.29 0.00 1.80 1.74 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.59 7.81 15 Q 8.14 2.73 0.00 2.25 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.10 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 16 L 8.06 4.30 0.00 1.58 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.97 3.71 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 0.93 0.00 0.00 18 I 8.20 3.97 1.85 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 1.38 0.88 0.99 0.00 0.00 19 Q 9.36 4.55 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 20 E 7.81 4.74 0.00 2.00 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 2.29 2.34 0.00 21 S 8.45 4.96 0.00 3.73 3.77 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 22 I 8.59 4.29 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 1.11 1.17 0.91 0.00 0.00 23 L 8.49 5.03 0.00 1.64 1.57 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 M 9.11 5.02 0.00 1.97 1.87 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 2.49 2.47 0.00 25 L 9.18 4.52 0.00 1.63 1.53 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.08 0.00 2.15 2.43 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 27 E 8.09 4.00 0.00 2.02 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 2.37 2.37 0.00 28 E 7.83 4.13 0.00 2.16 2.00 0.00 0.00 0.00 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 2.29 0.00 29 V 7.61 3.75 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 1.26 0.00 0.00 0.89 0.00 0.00 30 E 8.36 4.82 0.00 2.08 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 2.36 2.39 0.00 31 E 7.61 3.91 0.00 2.27 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 0.00 2.35 2.35 0.00 32 V 8.04 4.23 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 0.97 0.00 0.00 1.02 0.00 0.00 33 I 7.72 3.89 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.23 0.89 0.00 0.00 34 G 8.39 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 35 N 8.03 4.92 0.00 2.89 2.99 0.00 0.00 6.59 7.68 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 36 K 8.41 4.86 0.00 1.86 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.28 1.39 7.81 37 P 0.00 3.78 0.00 1.85 0.49 0.00 3.51 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.95 0.00 38 E 8.38 4.35 0.00 2.04 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 2.21 2.23 0.00 39 S 6.77 4.49 0.00 3.74 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 40 D 8.40 4.65 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 4.80 1.75 0.00 0.00 0.56 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 0.48 0.93 0.00 0.00 42 L 9.12 5.05 0.00 1.73 1.42 1.25 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.39 4.02 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 0.97 0.00 0.00 0.98 0.00 0.00 44 H 9.00 5.27 0.00 3.32 3.23 0.00 5.83 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.75 5.25 4.28 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 1.30 0.00 0.00 46 A 8.94 5.15 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 47 Y 8.79 4.96 0.00 2.92 3.03 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 48 D 6.05 3.96 0.00 2.51 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 0.00 0.00 0.00 0.00 49 E 8.66 4.54 0.00 2.05 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 0.00 2.31 2.36 0.00 50 S 7.61 4.54 0.00 3.63 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 4.31 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 1.18 0.00 0.00 52 D 7.62 4.23 0.00 2.86 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 53 E 7.70 5.02 0.00 1.91 1.74 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 2.30 2.29 0.00 54 N 9.14 5.15 0.00 2.71 2.78 0.00 0.00 6.69 7.41 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 55 V 8.50 4.35 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 1.04 0.00 0.00 0.93 0.00 0.00 56 M 9.09 5.30 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 57 L 8.80 5.05 0.00 1.76 1.60 0.91 0.42 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 58 L 9.22 5.32 0.00 1.98 1.84 1.23 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.63 5.38 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 60 S 8.51 4.86 0.00 3.91 4.04 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 61 D 8.48 4.63 0.00 2.77 2.51 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 0.00 62 A 8.34 2.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.10 2.07 0.00 3.63 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 1.83 1.87 0.00 64 E 7.58 3.90 0.00 2.01 1.89 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 0.00 2.23 1.90 0.00 65 Y 7.25 4.00 0.00 3.18 3.07 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 0.00 66 K 7.81 4.01 0.00 1.87 1.78 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.50 7.81 67 P 0.00 4.52 0.00 2.03 2.07 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 68 W 9.84 4.83 0.00 3.36 3.42 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 69 A 7.96 4.95 0.81 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 70 L 9.12 5.15 0.00 1.67 1.44 0.97 0.90 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 71 V 9.06 4.96 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 1.02 0.00 0.00 0.96 0.00 0.00 72 I 8.92 4.90 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 1.11 1.07 0.92 0.00 0.00 73 Q 9.09 5.47 0.00 2.27 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 74 D 8.56 5.04 0.00 2.84 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 75 S 7.77 4.22 0.00 3.87 4.16 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 76 N 8.15 4.78 0.00 2.78 2.89 0.00 0.00 7.09 8.20 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 77 G 8.72 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.86 4.30 0.00 2.41 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 0.00 2.30 2.34 0.00 79 N 8.71 5.32 0.00 2.63 2.72 0.00 0.00 6.91 7.61 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 80 K 9.93 4.41 0.00 1.86 1.75 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 I 8.06 4.75 1.83 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 1.22 0.51 0.81 0.00 0.00 82 K 8.56 4.47 0.00 1.72 1.53 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.53 7.81 83 M 8.54 4.27 0.00 1.63 1.80 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 84 L 8.62 4.33 0.00 1.53 1.53 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00