NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2508 0.0000 0.0000 58.2289 33.6301 174.5343 17 S 3.5121 8.2061 116.2457 57.3311 59.9916 168.9209 18 R 4.6592 8.5491 122.1789 55.2700 32.0431 177.2969 19 K 3.9410 8.4231 118.0630 57.5312 32.1534 177.0922 20 A 4.4230 7.1441 119.5093 51.9607 21.2122 175.6409 21 K 4.6908 7.6658 119.7464 54.9282 33.8525 178.4348 22 V 3.4727 8.0614 121.8346 65.3786 31.7951 177.7432 23 K 4.2733 8.2499 120.0603 59.3351 32.0350 177.2649 24 A 4.0606 7.9014 119.9074 56.2072 18.7085 178.7773 25 T 4.2044 7.6485 113.6093 60.7993 66.3802 173.1285 26 L 4.4214 6.8201 124.7244 55.0060 45.8366 172.8963 27 G 4.3234 8.7011 110.1056 44.7827 0.0000 172.4279 28 E 4.0996 8.8585 122.4698 55.2544 30.2754 176.0015 29 F 4.8833 7.1778 117.7476 54.7266 41.2949 174.3338 30 D 4.5881 8.5965 121.8542 52.9692 39.8715 176.8950 31 L 4.2159 8.5386 126.5698 56.6489 41.8169 178.1262 32 R 4.3998 7.8815 116.7871 55.0656 30.2899 175.2269 33 D 4.5186 8.5979 118.4718 53.7497 40.2169 175.5131 34 Y 5.1454 7.8124 127.7276 56.9530 38.6117 176.7370 35 R 4.6333 8.0361 116.2652 57.6070 35.5202 176.3151 36 N 4.7654 8.0545 118.5784 54.6010 38.1174 177.4859 37 V 3.4649 7.5647 119.7436 65.6661 33.0528 177.4676 38 E 3.8900 8.3180 118.5030 59.5903 29.5334 179.2374 39 V 3.5624 8.0674 120.5029 64.9950 31.3458 177.8790 40 L 4.0701 7.9484 118.2861 58.1339 41.7561 179.2453 41 K 3.6577 7.7969 119.1638 59.8548 31.8263 178.3781 42 R 3.7732 7.3438 117.3984 59.1219 30.2920 178.4137 43 F 4.3117 9.1159 116.9290 57.8008 39.0083 175.7019 44 L 4.8482 7.0063 118.6037 53.9037 43.0903 176.6418 45 S 4.8739 8.1541 115.6613 57.8092 64.6552 173.9145 46 E 4.3603 8.5096 115.1012 57.0377 29.7685 176.1677 47 T 4.1675 7.0491 113.7188 63.0856 73.1273 174.9277 48 G 3.8564 8.9218 112.3089 47.4672 0.0000 174.1478 49 K 3.9378 7.7915 120.0597 57.1871 33.0565 176.3688 50 I 4.2615 8.3077 125.5766 60.9634 37.8396 176.0138 51 L 4.2549 8.5338 126.7390 54.2274 42.6405 176.6478 52 P 4.5856 0.0000 0.0000 62.0190 33.9470 177.1726 53 R 4.4915 8.3282 118.1760 59.4904 29.8758 178.5973 54 R 3.6348 8.0752 116.3540 58.5587 30.1909 177.0307 55 R 4.4712 7.7753 115.5699 57.9690 32.0939 178.3062 56 T 4.0368 8.5609 108.4095 62.9690 68.6034 176.1195 57 G 4.0606 8.9134 108.4457 45.6908 0.0000 174.3991 58 L 4.4849 7.4930 119.1181 54.2997 42.8453 176.1239 59 S 4.9035 8.1588 113.3002 57.0050 67.3741 173.5975 60 G 3.6919 8.7258 104.4393 48.6505 0.0000 175.2294 61 K 3.8454 7.9195 122.9458 59.6990 32.8236 178.3046 62 E 3.8767 8.2560 118.9867 58.0797 28.7179 178.7841 63 Q 3.1594 8.8228 122.7566 59.1874 29.3869 179.9093 64 R 3.9768 7.7451 119.6524 59.2121 30.2612 178.3045 65 I 3.7702 8.6711 120.8835 64.2815 37.1312 177.2738 66 L 3.6956 8.1182 120.1288 58.1402 41.6191 178.5978 67 A 3.8555 7.8318 119.2981 55.2686 18.2974 179.5382 68 K 3.7880 7.4749 116.1750 59.9150 32.1253 178.5593 69 T 4.0438 8.2286 116.3454 66.9957 68.3626 176.0571 70 I 3.6862 8.1140 121.6068 64.7827 37.2278 178.3788 71 K 3.6774 7.9121 118.7510 59.4982 31.7397 179.5414 72 R 3.7768 8.0003 117.8910 59.1224 30.0685 178.4703 73 A 4.0672 8.1190 119.9544 55.6109 18.2847 179.2800 74 R 4.4470 7.8971 117.6188 59.1705 29.9005 179.1794 75 I 4.0205 7.4682 117.5628 64.2803 37.0836 177.4545 76 L 4.5451 7.9465 117.9928 54.4198 41.8604 177.4091 77 G 4.0849 7.9745 105.0829 46.4284 0.0000 175.4623 78 L 4.2650 8.0873 120.8628 56.2175 42.3623 177.2618 79 L 4.9030 7.5577 116.8708 51.8028 45.3604 174.2004 80 P 5.0327 0.0000 0.0000 62.9411 32.1912 175.9719 81 F 4.5515 8.7005 116.5398 58.8388 40.3797 176.5553 82 T 4.5034 7.6312 111.2363 61.2014 69.8892 171.9830 83 E 4.7659 8.6605 127.2029 54.3693 32.3999 175.7631 84 K 4.2119 8.2766 119.7477 55.8140 33.1475 176.9111 85 L 4.4125 8.0494 122.9840 53.1496 41.8213 176.4704 86 V 3.6928 7.9968 125.9441 63.9775 32.5509 177.8621 87 R 3.7930 8.5287 122.5588 56.6009 27.7590 176.3942 88 K 4.1720 8.7286 120.1692 57.6082 32.7419 177.0540 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 16 P 0.00 4.25 0.00 2.20 2.06 0.00 3.84 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 1.89 1.96 0.00 17 S 8.21 3.51 0.00 4.11 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 18 R 8.55 4.66 0.00 1.80 1.88 0.00 3.45 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 19 K 8.42 3.94 0.00 1.73 1.88 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 20 A 7.14 4.42 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 21 K 7.67 4.69 0.00 1.89 1.76 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.50 7.81 22 V 8.06 3.47 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 -0.69 0.00 0.00 0.78 0.00 0.00 23 K 8.25 4.27 0.00 1.97 1.93 0.00 1.96 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.69 7.81 24 A 7.90 4.06 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 25 T 7.65 4.20 4.18 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 0.00 0.00 0.00 1.17 0.00 0.00 26 L 6.82 4.42 0.00 1.85 1.85 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.70 4.32 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 0.00 28 E 8.86 4.10 0.00 2.00 1.93 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 2.26 2.30 0.00 29 F 7.18 4.88 0.00 3.14 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 30 D 8.60 4.59 0.00 2.80 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 31 L 8.54 4.22 0.00 1.70 1.74 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.88 4.40 0.00 1.78 2.12 0.00 3.08 0.00 0.00 2.76 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 33 D 8.60 4.52 0.00 2.72 2.60 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 34 Y 7.81 5.15 0.00 3.10 3.06 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 0.00 0.00 0.00 0.00 35 R 8.04 4.63 0.00 1.68 1.85 0.00 3.12 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.00 36 N 8.05 4.77 0.00 2.86 2.75 0.00 0.00 7.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.56 3.46 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 1.01 0.00 0.00 0.97 0.00 0.00 38 E 8.32 3.89 0.00 2.17 2.17 0.00 0.00 0.00 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 2.29 0.00 39 V 8.07 3.56 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 0.85 0.00 0.00 0.72 0.00 0.00 40 L 7.95 4.07 0.00 1.75 1.74 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.80 3.66 0.00 1.97 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.53 7.81 42 R 7.34 3.77 0.00 1.33 1.52 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 43 F 9.12 4.31 0.00 3.10 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 44 L 7.01 4.85 0.00 1.79 1.77 0.93 0.79 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 45 S 8.15 4.87 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 46 E 8.51 4.36 0.00 1.96 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 2.30 2.38 0.00 47 T 7.05 4.17 4.26 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 1.27 0.00 0.00 48 G 8.92 3.86 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 0.00 0.00 0.00 49 K 7.79 3.94 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.47 7.81 50 I 8.31 4.26 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.92 0.00 0.00 51 L 8.53 4.25 0.00 1.74 1.66 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.59 0.00 2.18 2.03 0.00 3.62 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 2.12 2.15 0.00 53 R 8.33 4.49 0.00 1.89 1.93 0.00 3.26 0.00 0.00 3.45 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 54 R 8.08 3.63 0.00 1.83 2.03 0.00 3.23 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 55 R 7.78 4.47 0.00 1.85 1.95 0.00 3.31 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 56 T 8.56 4.04 4.45 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 1.49 0.00 0.00 57 G 8.91 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.49 4.48 0.00 1.80 1.73 0.67 1.09 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 59 S 8.16 4.90 0.00 3.96 3.99 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 60 G 8.73 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.85 0.00 1.75 1.86 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.54 7.81 62 E 8.26 3.88 0.00 2.18 1.82 0.00 0.00 0.00 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 2.31 0.00 63 Q 8.82 3.16 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 64 R 7.75 3.98 0.00 2.09 2.05 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 65 I 8.67 3.77 1.85 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 1.33 0.78 0.91 0.00 0.00 66 L 8.12 3.70 0.00 1.46 1.61 0.24 0.62 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 67 A 7.83 3.86 1.36 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 0.00 0.00 0.00 68 K 7.47 3.79 0.00 1.72 1.83 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 69 T 8.23 4.04 4.49 0.00 0.00 0.00 0.00 0.00 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 70 I 8.11 3.69 1.99 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 1.51 0.75 0.84 0.00 0.00 71 K 7.91 3.68 0.00 1.93 1.78 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.59 7.81 72 R 8.00 3.78 0.00 2.07 1.81 0.00 3.11 0.00 0.00 2.71 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 73 A 8.12 4.07 1.36 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 0.00 0.00 0.00 74 R 7.90 4.45 0.00 1.54 0.74 0.00 2.59 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 75 I 7.47 4.02 2.05 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 1.70 0.73 0.95 0.00 0.00 76 L 7.95 4.55 0.00 1.80 1.75 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.97 4.08 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 0.00 0.00 0.00 78 L 8.09 4.26 0.00 1.81 1.77 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.56 4.90 0.00 1.61 1.49 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.03 0.00 2.26 2.12 0.00 3.76 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 2.02 2.02 0.00 81 F 8.70 4.55 0.00 2.90 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 82 T 7.63 4.50 4.32 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 1.26 0.00 0.00 83 E 8.66 4.77 0.00 1.98 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 2.31 2.25 0.00 84 K 8.28 4.21 0.00 1.75 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 85 L 8.05 4.41 0.00 1.57 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.00 3.69 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 0.85 0.00 0.00 0.93 0.00 0.00 87 R 8.53 3.79 0.00 2.02 2.01 0.00 3.42 0.00 0.00 3.15 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 88 K 8.73 4.17 0.00 1.82 2.03 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.39 7.81