NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 P 4.3489 0.0000 0.0000 62.3847 31.3687 176.3640 32 V 3.3562 7.7759 118.7022 61.0642 29.1729 173.6912 33 H 5.0106 8.0945 121.3734 52.8446 33.7613 174.0842 34 V 3.6588 8.5190 117.9571 66.6478 30.8782 177.6964 35 E 4.0091 8.1793 118.6860 59.2041 29.6889 178.0440 36 D 4.4489 8.0968 117.5160 57.3254 41.4798 177.9001 37 A 4.2130 8.5274 121.5061 54.8153 18.4721 179.6506 38 L 4.0032 8.1249 117.7048 58.3659 41.7836 179.5177 39 T 3.8865 7.9655 112.8956 65.3096 67.2898 175.1120 40 Y 4.0955 8.0313 120.9561 60.9557 38.7724 178.3940 41 L 4.1574 8.0395 119.1018 58.1190 41.8249 179.3573 42 D 4.4583 8.1965 118.5131 57.1937 40.7413 178.5368 43 Q 3.9439 8.4376 120.7494 58.7171 28.8636 177.9588 44 V 3.5933 7.6531 119.1413 64.9381 31.2878 178.0334 45 K 3.9728 7.8847 119.0764 59.2811 32.3652 178.6747 46 I 3.8122 7.5064 119.5227 64.6146 36.9102 178.6736 47 R 3.8373 7.5083 116.7486 57.9932 30.2667 177.2873 48 F 5.0498 7.7471 116.6508 56.7876 39.7410 177.9740 49 G 3.6331 8.1160 112.2602 48.1265 0.0000 175.3370 50 S 4.6569 8.0356 111.8418 58.1693 63.4654 174.4500 51 D 4.7443 8.1319 122.1321 51.3890 41.9140 173.9576 52 P 4.2268 0.0000 0.0000 65.1394 31.6099 178.2607 53 A 3.9512 7.9886 120.5906 55.4798 18.3823 179.4616 54 T 3.5185 7.2277 113.6690 66.6850 68.4124 176.1843 55 Y 4.0101 7.8740 120.8168 60.9070 39.0989 177.5173 56 N 4.4717 8.6278 118.1389 56.5435 39.0458 177.0744 57 G 3.4950 7.9900 107.3938 47.5581 0.0000 175.4841 58 F 4.2086 7.9840 123.0563 61.0815 39.4044 177.2162 59 L 3.7250 7.6037 118.0791 57.5032 41.3196 179.0880 60 E 3.8447 7.9267 118.8681 59.2159 29.5928 178.8728 61 I 3.5921 7.3740 119.1983 64.6628 37.2506 178.3356 62 M 3.8960 7.3895 118.6835 58.3220 31.2925 178.7464 63 K 3.9043 8.4524 119.9917 59.6895 32.0713 178.6567 64 E 4.0352 8.7294 119.1083 59.1410 29.2189 179.1368 65 F 4.1720 8.1321 120.9710 61.1317 39.2408 177.3520 66 K 3.9308 7.9236 117.1466 59.5762 31.9241 179.1563 67 S 4.1334 7.5036 113.0478 59.1051 62.9368 173.7976 68 Q 3.2806 7.8983 121.5302 57.6152 27.4608 173.5504 69 S 4.4254 7.4534 109.8567 59.3788 64.2964 173.8254 70 I 3.9054 7.4400 119.0141 60.2272 38.0981 174.8747 71 D 4.6595 8.4716 127.1627 53.6172 42.4006 176.7708 72 T 3.8426 8.4094 111.3626 64.6141 68.4585 174.3371 73 P 4.5001 0.0000 0.0000 65.0707 31.4049 178.7222 74 G 3.6284 7.8836 103.8486 47.3753 0.0000 176.2044 75 V 3.5330 8.2279 120.8868 66.1116 31.5533 178.3650 76 I 3.8575 7.6887 119.0136 64.0996 37.0788 178.5760 77 R 3.8795 7.9731 119.1738 59.2095 29.8879 178.8406 78 R 3.7933 7.6968 117.9196 59.5426 30.0309 178.6354 79 V 3.1410 7.4255 117.3417 66.0943 31.2705 178.1865 80 S 4.1863 8.1802 113.8256 60.9749 62.6329 175.6052 81 Q 4.3010 7.4629 120.7052 57.7491 29.3967 176.9694 82 L 3.8680 8.3088 121.6682 57.0939 43.0548 178.5457 83 F 5.2389 7.7582 118.0985 57.1101 37.7399 177.2549 84 H 4.3227 8.0247 115.0940 57.8891 29.0831 175.9909 85 E 4.6018 7.8553 119.0832 55.8441 29.9986 175.9829 86 H 4.8144 7.9830 115.4385 51.8820 31.2121 171.9051 87 P 4.2514 0.0000 0.0000 65.9584 31.6491 177.8766 88 D 4.5900 8.1801 117.6478 56.2635 40.8874 178.0415 89 L 3.8297 7.6044 119.0707 57.5705 42.1058 178.7048 90 I 3.9616 7.7252 118.1233 63.9180 37.9388 178.2538 91 V 3.7791 8.6316 119.8691 65.9222 31.2557 178.0763 92 G 3.9444 7.8438 103.6900 48.1344 0.0000 175.0151 93 F 3.8372 8.4590 122.8052 60.6757 39.0753 176.8819 94 N 4.3860 8.3201 116.2258 56.3964 38.5255 176.1609 95 A 3.9474 7.9342 119.9365 53.6734 18.4756 178.3990 96 F 4.1826 7.9693 115.5770 57.8346 40.3425 176.8182 97 L 4.0728 6.7433 117.8546 53.7475 40.9482 175.3765 98 P 4.5803 0.0000 0.0000 61.6028 32.6058 176.7551 99 L 4.1525 8.4262 119.6254 58.0269 41.8354 178.0467 100 G 3.3680 7.8637 106.7941 47.9791 0.0000 173.9124 101 Y 4.5711 6.9937 125.6449 55.7867 36.9917 176.0968 102 R 4.4659 8.0639 124.0158 55.0699 32.1115 175.6088 103 I 4.5961 8.0941 118.8612 59.9522 39.1961 175.2189 104 D 5.1199 8.5522 123.4837 52.6588 43.3879 176.5426 105 I 4.4091 7.8093 114.7422 57.6121 37.0526 171.3974 106 P 4.1781 0.0000 0.0000 63.2828 31.7836 176.4986 107 K 4.1045 8.7056 123.5210 56.7258 32.0406 176.2559 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 31 P 0.00 4.35 0.00 2.22 2.19 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 32 V 7.78 3.36 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 -0.61 0.00 0.00 0.68 0.00 0.00 33 H 8.09 5.01 0.00 3.20 3.23 0.00 5.83 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.52 3.66 2.14 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 1.17 0.00 0.00 0.98 0.00 0.00 35 E 8.18 4.01 0.00 2.08 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 0.00 2.41 2.33 0.00 36 D 8.10 4.45 0.00 3.02 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 37 A 8.53 4.21 1.45 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 0.00 0.00 0.00 38 L 8.12 4.00 0.00 2.06 1.80 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.97 3.89 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 1.39 0.00 0.00 40 Y 8.03 4.10 0.00 3.34 3.20 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 41 L 8.04 4.16 0.00 2.10 1.93 1.05 1.30 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 42 D 8.20 4.46 0.00 3.06 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 43 Q 8.44 3.94 0.00 2.25 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 44 V 7.65 3.59 2.21 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 1.00 0.00 0.00 0.13 0.00 0.00 45 K 7.88 3.97 0.00 2.02 1.70 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.44 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.01 0.21 7.81 46 I 7.51 3.81 1.80 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 1.48 0.54 0.86 0.00 0.00 47 R 7.51 3.84 0.00 1.73 1.44 0.00 3.20 0.00 0.00 2.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 48 F 7.75 5.05 0.00 3.44 3.17 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 0.00 0.00 0.00 49 G 8.12 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.04 4.66 0.00 4.02 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 51 D 8.13 4.74 0.00 3.02 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 52 P 0.00 4.23 0.00 2.28 2.32 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 53 A 7.99 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.23 3.52 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 55 Y 7.87 4.01 0.00 3.09 3.13 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 56 N 8.63 4.47 0.00 3.02 2.81 0.00 0.00 7.30 8.06 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 57 G 7.99 3.49 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 0.00 0.00 0.00 0.00 58 F 7.98 4.21 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.72 0.00 1.78 1.60 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.93 3.84 0.00 2.20 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 2.26 2.32 0.00 61 I 7.37 3.59 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.84 0.00 0.00 62 M 7.39 3.90 0.00 1.95 1.70 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 63 K 8.45 3.90 0.00 1.83 1.76 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 E 8.73 4.04 0.00 2.20 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 2.30 2.49 0.00 65 F 8.13 4.17 0.00 3.25 3.18 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 0.00 66 K 7.92 3.93 0.00 1.99 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 67 S 7.50 4.13 0.00 4.01 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 68 Q 7.90 3.28 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 69 S 7.45 4.43 0.00 3.77 3.76 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 70 I 7.44 3.91 1.88 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 1.38 0.95 1.11 0.00 0.00 71 D 8.47 4.66 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 3.84 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 73 P 0.00 4.50 0.00 2.18 2.21 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 74 G 7.88 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.23 3.53 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 0.89 0.00 0.00 0.87 0.00 0.00 76 I 7.69 3.86 1.93 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 1.78 0.50 1.08 0.00 0.00 77 R 7.97 3.88 0.00 2.08 1.96 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 78 R 7.70 3.79 0.00 2.05 1.81 0.00 3.08 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 79 V 7.43 3.14 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 0.82 0.00 0.00 0.59 0.00 0.00 80 S 8.18 4.19 0.00 4.14 3.95 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 0.00 0.00 0.00 81 Q 7.46 4.30 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 82 L 8.31 3.87 0.00 1.39 0.61 0.70 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.76 5.24 0.00 3.13 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 84 H 8.02 4.32 0.00 3.28 3.55 0.00 5.49 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 85 E 7.86 4.60 0.00 1.95 1.81 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 2.18 2.33 0.00 86 H 7.98 4.81 0.00 3.21 3.01 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.25 0.00 2.28 2.33 0.00 3.74 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 2.08 2.03 0.00 88 D 8.18 4.59 0.00 2.70 2.63 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 0.00 0.00 0.00 89 L 7.60 3.83 0.00 1.54 0.50 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.73 3.96 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 1.08 0.00 0.00 91 V 8.63 3.78 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 1.09 0.00 0.00 0.99 0.00 0.00 92 G 7.84 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 93 F 8.46 3.84 0.00 3.14 3.14 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 94 N 8.32 4.39 0.00 3.26 2.94 0.00 0.00 7.06 7.90 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 95 A 7.93 3.95 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 96 F 7.97 4.18 0.00 2.48 2.82 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 0.00 0.00 0.00 97 L 6.74 4.07 0.00 1.68 1.86 1.23 0.90 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 98 P 0.00 4.58 0.00 2.19 2.20 0.00 3.79 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 2.01 0.00 99 L 8.43 4.15 0.00 1.57 1.70 0.91 0.96 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 0.00 100 G 7.86 3.37 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 0.00 0.00 0.00 0.00 101 Y 6.99 4.57 0.00 3.19 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 0.00 102 R 8.06 4.47 0.00 1.84 1.94 0.00 3.30 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 103 I 8.09 4.60 2.17 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 1.02 0.00 0.00 104 D 8.55 5.12 0.00 2.66 2.59 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 0.00 0.00 0.00 0.00 105 I 7.81 4.41 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.97 0.00 0.00 106 P 0.00 4.18 0.00 2.07 2.09 0.00 3.72 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 2.05 2.11 0.00 107 K 8.71 4.10 0.00 1.72 1.71 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81