NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 I 4.1499 8.0244 114.2840 60.9173 38.9346 174.8528 15 R 4.2293 8.5524 121.6527 55.9554 30.7764 175.2111 16 R 4.8783 8.4443 112.7616 53.8999 33.4424 174.2543 17 L 4.2752 8.5527 119.4586 53.8606 42.5416 175.8896 18 P 4.4219 0.0000 0.0000 62.9867 32.7819 177.2693 19 F 3.1606 8.9274 123.8916 61.2959 39.0891 177.4471 20 S 3.6724 7.9386 112.0028 61.0863 62.3262 175.6439 21 F 4.1031 8.2422 122.6070 61.3428 39.3527 176.5846 22 A 4.9241 8.4471 122.0844 54.8535 17.9617 179.1951 23 N 4.1796 7.8770 114.6599 56.5066 39.0151 176.1759 24 R 3.5982 7.6997 119.8663 59.0101 29.9785 177.1663 25 F 4.4428 7.4221 112.5005 56.3115 40.2959 175.4944 26 K 3.8518 7.9003 119.5318 57.7067 29.5374 175.1379 27 L 5.5511 7.7751 117.4222 53.0712 46.1190 177.3541 28 V 4.8291 9.1076 122.7149 61.0356 34.6480 174.0149 29 L 4.6524 8.8014 130.3657 54.8792 42.8920 175.1551 30 D 5.0026 8.8764 124.3985 52.7636 45.2300 173.6855 31 W 5.3641 8.8050 122.1991 54.6247 33.0571 175.1914 32 N 4.6921 8.5312 118.8136 52.3194 38.1938 175.4272 33 E 3.8574 8.3906 116.0408 58.1664 28.4391 177.7983 34 D 4.4454 7.9969 118.4493 54.8617 41.3399 177.3581 35 F 4.0860 7.3721 115.8319 58.3082 37.0870 176.3212 36 S 4.5327 7.9002 116.4873 60.1991 63.5702 174.2915 37 Q 4.7283 9.0519 120.1609 53.9239 31.7474 174.7109 38 A 4.3738 8.4899 125.6908 50.4678 21.5769 175.7109 39 S 4.9690 8.4319 115.4383 56.7726 67.7053 173.1086 40 I 4.6212 8.9791 125.1245 59.9309 39.1231 174.0846 41 Y 5.4114 9.0562 125.7074 56.5522 40.0786 174.5472 42 Y 5.8827 8.7254 121.1379 54.2616 42.0327 174.1189 43 L 4.6189 8.1900 120.4188 53.5896 43.1115 176.3978 44 A 4.4998 8.4768 126.1147 50.9839 19.5559 175.5045 45 P 4.6623 0.0000 0.0000 61.9057 32.6676 175.8203 46 L 4.3745 8.0314 120.0819 54.8537 42.1837 176.4961 47 S 4.4141 8.2432 114.8712 57.7632 63.9292 174.8404 48 M 3.9760 8.4902 128.4812 58.6812 32.2199 177.6538 49 E 4.0316 8.0615 118.3262 58.4481 29.8481 178.2097 50 A 3.7973 7.5338 121.0886 54.6027 18.1973 179.4061 51 L 3.9203 7.7980 118.9032 58.3749 42.2391 179.3217 52 V 3.5887 7.8574 118.2490 65.8342 31.2655 177.6380 53 E 3.9086 8.1320 119.1778 59.4429 29.4320 178.7751 54 T 3.8213 8.2486 116.0709 66.7606 68.6274 176.5161 55 K 4.1791 8.4854 121.5457 59.4415 31.9330 178.7223 56 R 3.8902 7.8737 118.5405 59.2550 30.0716 178.1130 57 V 3.8885 7.3038 116.6738 65.3217 31.8420 177.8702 58 V 3.7825 8.1121 117.6480 63.7081 31.8133 175.9991 59 K 3.9218 8.1435 116.2648 56.7423 30.1817 174.0567 60 H 4.7356 7.9070 113.4887 55.0342 32.8095 172.4120 61 A 4.0828 8.0612 127.3684 51.9291 19.1052 176.8971 62 F 5.1689 7.2996 115.0180 55.4113 41.1262 174.0064 63 Q 4.2220 8.9468 120.1129 55.8608 29.9641 174.7678 64 L 5.0761 8.5654 125.4844 53.6179 43.8063 175.4269 65 I 4.6056 9.3351 128.0845 59.2805 40.4467 174.7126 66 E 3.3286 8.7187 128.5057 55.7187 30.2186 175.4637 67 L 5.0350 8.2824 125.4530 52.8148 46.1009 176.2110 68 S 4.4970 8.5860 115.1533 57.1182 64.5716 174.7458 69 Q 3.9377 8.5156 119.9705 59.8157 28.5144 178.2469 70 A 4.0587 7.9302 120.9781 55.0134 18.2677 178.9476 71 E 3.9655 7.9142 117.1336 58.8586 29.5782 178.5482 72 F 4.2543 8.3714 120.9068 60.7529 39.5603 177.2793 73 E 3.9813 8.4687 118.3922 59.5188 29.3011 179.2723 74 S 4.0580 8.0733 113.1791 61.1122 62.5055 176.1698 75 K 3.9649 7.3486 122.4267 58.6371 31.8241 178.5607 76 L 4.1017 7.7044 119.6043 58.3261 41.3919 179.5219 77 T 3.8912 7.7063 113.9841 66.8773 68.9418 176.4858 78 Q 4.0772 8.2063 118.5135 58.1756 28.4503 177.9845 79 V 3.9694 7.2914 119.1713 63.4854 32.4674 174.9967 80 Y 4.5582 7.8157 118.2135 56.2340 37.9580 175.7674 81 Q 4.2834 8.4371 122.4865 55.9912 28.9509 176.3751 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 14 I 8.02 4.15 1.94 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 1.39 1.28 0.94 0.00 0.00 15 R 8.55 4.23 0.00 1.77 2.02 0.00 3.16 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.43 0.00 16 R 8.44 4.88 0.00 1.96 1.88 0.00 3.05 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 17 L 8.55 4.28 0.00 1.91 1.88 0.93 1.30 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 18 P 0.00 4.42 0.00 2.28 2.07 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 19 F 8.93 3.16 0.00 2.29 2.86 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 0.00 0.00 0.00 0.00 20 S 7.94 3.67 0.00 3.97 3.87 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 F 8.24 4.10 0.00 3.29 3.27 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 22 A 8.45 4.92 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.88 4.18 0.00 1.74 2.41 0.00 0.00 7.21 7.64 0.00 0.00 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 R 7.70 3.60 0.00 1.47 1.21 0.00 2.95 0.00 0.00 2.86 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 25 F 7.42 4.44 0.00 2.70 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 26 K 7.90 3.85 0.00 1.74 1.03 0.00 1.34 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.29 7.81 27 L 7.78 5.55 0.00 1.75 1.68 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.11 4.83 2.25 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 1.07 0.00 0.00 0.89 0.00 0.00 29 L 8.80 4.65 0.00 1.63 1.62 0.46 1.40 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 30 D 8.88 5.00 0.00 2.88 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 31 W 8.81 5.36 0.00 3.07 3.09 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 32 N 8.53 4.69 0.00 2.88 3.02 0.00 0.00 7.38 8.26 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 33 E 8.39 3.86 0.00 1.91 1.96 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 2.19 2.24 0.00 34 D 8.00 4.45 0.00 2.76 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 35 F 7.37 4.09 0.00 3.03 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 36 S 7.90 4.53 0.00 4.10 4.10 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 0.00 0.00 0.00 37 Q 9.05 4.73 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 38 A 8.49 4.37 0.11 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 0.00 0.00 39 S 8.43 4.97 0.00 3.40 2.98 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 40 I 8.98 4.62 1.68 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.20 0.90 0.00 0.00 41 Y 9.06 5.41 0.00 3.00 2.97 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 42 Y 8.73 5.88 0.00 3.01 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 43 L 8.19 4.62 0.00 1.29 1.48 0.69 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.48 4.50 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 45 P 0.00 4.66 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 46 L 8.03 4.37 0.00 1.55 1.35 0.37 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.24 4.41 0.00 3.93 3.70 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 48 M 8.49 3.98 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 49 E 8.06 4.03 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 50 A 7.53 3.80 0.80 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 0.00 0.00 51 L 7.80 3.92 0.00 1.91 1.86 1.05 0.68 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 52 V 7.86 3.59 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 0.94 0.00 0.00 1.00 0.00 0.00 53 E 8.13 3.91 0.00 2.39 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 0.00 2.32 2.61 0.00 54 T 8.25 3.82 4.47 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 0.00 0.00 0.00 1.03 0.00 0.00 55 K 8.49 4.18 0.00 2.02 1.89 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 56 R 7.87 3.89 0.00 1.99 2.12 0.00 3.30 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 57 V 7.30 3.89 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 0.82 0.00 0.00 0.85 0.00 0.00 58 V 8.11 3.78 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 1.07 0.00 0.00 0.94 0.00 0.00 59 K 8.14 3.92 0.00 2.01 1.91 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.63 7.81 60 H 7.91 4.74 0.00 3.42 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.06 4.08 1.11 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 0.00 0.00 62 F 7.30 5.17 0.00 2.84 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 Q 8.95 4.22 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 64 L 8.57 5.08 0.00 1.76 1.66 1.05 0.90 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 65 I 9.34 4.61 1.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.45 1.00 0.00 0.00 66 E 8.72 3.33 0.00 1.57 1.63 0.00 0.00 0.00 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 1.78 0.00 67 L 8.28 5.03 0.00 1.60 1.59 1.02 1.24 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 68 S 8.59 4.50 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 3.94 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 70 A 7.93 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 3.97 0.00 2.19 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 0.00 2.27 2.29 0.00 72 F 8.37 4.25 0.00 3.27 3.19 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 73 E 8.47 3.98 0.00 2.19 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 2.73 2.53 0.00 74 S 8.07 4.06 0.00 3.87 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 75 K 7.35 3.96 0.00 1.84 1.43 0.00 1.44 0.00 0.00 1.01 0.00 0.00 2.19 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.86 1.05 7.81 76 L 7.70 4.10 0.00 1.95 1.82 0.61 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.71 3.89 4.37 0.00 0.00 0.00 0.00 0.00 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 78 Q 8.21 4.08 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.25 0.00 79 V 7.29 3.97 1.76 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 -0.01 0.00 0.00 0.82 0.00 0.00 80 Y 7.82 4.56 0.00 3.00 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 81 Q 8.44 4.28 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00