NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2744 0.0000 0.0000 63.0144 33.1406 178.4046 17 S 3.8982 8.2545 112.0901 57.5177 61.0740 169.2211 18 R 4.4213 7.9577 122.0308 55.5430 28.6135 177.0814 19 K 4.3731 7.3714 111.5135 55.5150 33.8244 177.7788 20 A 3.6845 8.2018 122.9785 51.8264 18.1487 177.0145 21 K 4.6480 7.8995 115.7902 54.4431 34.7993 178.0280 22 V 3.5162 7.8665 122.3912 64.9303 31.7050 177.3598 23 K 4.2759 8.1206 119.4866 59.9835 32.4795 177.6777 24 A 4.2146 8.0229 119.9128 55.5697 18.5059 179.9075 25 T 4.1693 7.6550 113.2715 62.8613 67.5749 173.6962 26 L 4.2917 7.4076 121.9887 56.0483 45.8506 171.0497 27 G 4.1587 8.9211 105.9862 45.9533 0.0000 171.6694 28 E 3.6019 7.3637 116.8770 54.2601 29.0760 176.9549 29 F 4.5650 7.8260 114.3362 55.9877 39.9142 173.0013 30 D 4.2622 9.0270 125.3101 53.9867 41.5302 175.3935 31 L 4.2267 8.4188 127.3680 57.9827 41.8852 179.4131 32 R 3.9196 7.9792 117.1949 58.3580 29.8689 176.0695 33 D 4.5043 8.0069 116.9406 54.5123 39.4016 175.1811 34 Y 4.6810 8.3925 121.3328 57.1898 38.1486 176.6611 35 R 4.3635 7.8248 117.9362 56.3642 31.8007 176.4559 36 N 4.6108 7.4209 119.4440 51.6337 37.2227 174.7362 37 V 3.4533 7.6396 121.3728 66.4719 31.8643 177.0285 38 E 3.9623 7.6234 118.3611 58.7519 29.7115 179.2479 39 V 3.9387 7.8317 118.5666 63.6900 32.3721 178.1974 40 L 4.1858 7.8457 119.2671 57.4370 41.5083 179.1968 41 K 3.8505 8.5137 118.7808 59.8378 31.8452 178.9654 42 R 4.0071 7.4029 117.1333 59.1130 29.9556 176.8216 43 F 4.6202 8.2467 116.3500 57.2191 38.9847 174.5935 44 L 5.0828 7.9914 121.4961 52.3212 43.7303 176.5435 45 S 4.3020 9.0860 118.8486 58.0588 63.1604 174.4930 46 E 4.0841 8.6876 117.9147 59.0854 29.8151 177.7242 47 T 4.5476 7.6121 118.4135 63.1975 69.3052 174.5789 48 G 3.9022 8.5397 111.1829 47.4036 0.0000 174.1979 49 K 3.9967 7.6425 120.1920 56.7376 33.1634 176.6882 50 I 4.1817 8.2906 125.2623 61.1393 37.5242 176.1523 51 L 4.2206 8.4064 127.0253 54.4062 42.1449 175.4724 52 P 4.5841 0.0000 0.0000 61.9101 32.7350 177.8767 53 R 4.1634 8.8134 118.2292 59.2345 30.0348 179.0541 54 R 4.2980 8.0045 108.5854 56.8970 28.5430 176.9873 55 R 4.6430 9.0537 117.4030 56.1579 32.3221 176.4751 56 T 4.4597 7.4600 106.3056 62.1345 69.9755 175.4843 57 G 3.9827 7.5285 109.4489 46.9492 0.0000 173.4087 58 L 4.8033 7.1508 122.1004 53.4511 44.5828 176.5778 59 S 3.9924 9.3059 113.1894 58.7004 62.6114 175.4821 60 G 3.6482 8.8601 113.6842 48.3134 0.0000 175.1776 61 K 4.0893 8.5281 122.0394 58.9172 32.1973 178.5382 62 E 3.7211 7.9815 117.3671 59.5892 29.6038 179.0816 63 Q 3.8408 8.9454 119.5851 59.7344 28.0900 179.6212 64 R 3.9089 8.0569 119.1588 59.1378 30.1225 178.6506 65 I 3.7028 7.8756 120.0778 64.0931 37.2206 177.6118 66 L 3.8347 7.9548 120.4776 58.4394 41.6062 178.2905 67 A 3.9730 7.7730 120.1048 55.7005 18.0327 179.6013 68 K 3.8152 7.3927 116.7987 59.6763 31.9738 179.0817 69 T 4.0137 7.7071 115.8336 66.6620 68.4724 176.1528 70 I 3.6907 8.4601 121.8979 64.8937 37.0910 178.3802 71 K 3.7569 8.0517 118.4981 59.0523 32.2736 178.9485 72 R 4.1223 8.3445 118.6026 58.6869 30.4216 178.1115 73 A 4.1165 8.1243 120.0052 55.6646 17.9382 179.4973 74 R 4.2617 7.9932 117.4273 58.9322 29.6823 179.4307 75 I 3.8956 7.9525 119.2795 64.5710 37.0127 178.5642 76 L 3.7977 7.9388 117.8144 55.8223 42.2414 177.3463 77 G 3.9717 7.8827 105.7172 46.2889 0.0000 173.5910 78 L 4.7330 8.4998 116.3139 53.9621 43.9469 177.4523 79 L 4.8603 7.5800 118.2949 51.6297 44.9542 174.2951 80 P 4.5312 0.0000 0.0000 63.1880 31.9663 175.7412 81 F 4.5246 8.4985 115.7985 58.7807 40.8703 176.1789 82 T 4.5968 7.5627 110.8391 61.2677 70.4943 172.8664 83 E 4.8921 8.5077 126.4198 55.8301 30.6254 176.2120 84 K 4.5050 8.3269 123.7566 55.7148 35.9768 175.4064 85 L 4.0758 8.5969 126.5153 54.7673 42.5649 176.2410 86 V 4.2045 8.1804 125.1982 61.6065 33.5685 174.7922 87 R 3.7326 8.3620 121.2265 56.3490 26.5344 176.5562 88 K 4.1493 8.0141 120.5450 56.2090 32.5016 175.7243 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 4.27 0.00 2.23 2.37 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 17 S 8.25 3.90 0.00 4.16 4.12 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 0.00 0.00 0.00 18 R 7.96 4.42 0.00 1.94 1.91 0.00 3.32 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 19 K 7.37 4.37 0.00 1.68 1.73 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.43 7.81 20 A 8.20 3.68 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 21 K 7.90 4.65 0.00 1.81 1.72 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.39 7.81 22 V 7.87 3.52 1.94 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 -0.53 0.00 0.00 0.87 0.00 0.00 23 K 8.12 4.28 0.00 2.06 1.90 0.00 1.97 0.00 0.00 1.89 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.59 7.81 24 A 8.02 4.21 1.31 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 0.00 0.00 0.00 25 T 7.66 4.17 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 26 L 7.41 4.29 0.00 1.43 1.68 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.92 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 0.00 0.00 0.00 28 E 7.36 3.60 0.00 2.06 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 2.32 2.39 0.00 29 F 7.83 4.56 0.00 3.12 3.16 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 30 D 9.03 4.26 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.23 0.00 1.68 1.66 0.80 0.77 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 32 R 7.98 3.92 0.00 1.77 2.34 0.00 3.08 0.00 0.00 2.80 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 33 D 8.01 4.50 0.00 2.95 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 34 Y 8.39 4.68 0.00 3.14 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 35 R 7.82 4.36 0.00 1.51 1.81 0.00 3.02 0.00 0.00 3.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 36 N 7.42 4.61 0.00 2.75 2.72 0.00 0.00 6.70 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 7.64 3.45 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 0.99 0.00 0.00 1.00 0.00 0.00 38 E 7.62 3.96 0.00 1.96 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 2.31 2.35 0.00 39 V 7.83 3.94 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 0.97 0.00 0.00 0.46 0.00 0.00 40 L 7.85 4.19 0.00 1.76 1.85 0.99 1.05 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 41 K 8.51 3.85 0.00 1.72 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 42 R 7.40 4.01 0.00 1.50 1.57 0.00 2.86 0.00 0.00 2.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.46 0.00 43 F 8.25 4.62 0.00 3.38 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 44 L 7.99 5.08 0.00 1.70 1.56 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.09 4.30 0.00 3.89 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 46 E 8.69 4.08 0.00 2.09 2.13 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 2.28 2.29 0.00 47 T 7.61 4.55 4.25 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 0.00 0.00 0.00 1.26 0.00 0.00 48 G 8.54 3.90 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 0.00 0.00 0.00 49 K 7.64 4.00 0.00 1.68 1.76 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.45 7.81 50 I 8.29 4.18 1.86 0.00 0.00 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 1.33 0.42 0.92 0.00 0.00 51 L 8.41 4.22 0.00 1.65 1.66 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.19 2.00 0.00 3.61 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 2.12 2.08 0.00 53 R 8.81 4.16 0.00 1.86 1.93 0.00 3.24 0.00 0.00 3.78 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 54 R 8.00 4.30 0.00 1.95 2.02 0.00 3.09 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 55 R 9.05 4.64 0.00 1.98 1.95 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 56 T 7.46 4.46 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 57 G 7.53 3.98 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 0.00 0.00 0.00 58 L 7.15 4.80 0.00 1.95 1.82 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.31 3.99 0.00 3.81 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 60 G 8.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.53 4.09 0.00 1.81 1.73 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 62 E 7.98 3.72 0.00 2.22 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 63 Q 8.95 3.84 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 64 R 8.06 3.91 0.00 1.95 2.11 0.00 3.12 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 65 I 7.88 3.70 1.91 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 1.38 0.97 0.89 0.00 0.00 66 L 7.95 3.83 0.00 1.50 1.76 0.22 1.03 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 67 A 7.77 3.97 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 7.39 3.82 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 69 T 7.71 4.01 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 1.38 0.00 0.00 70 I 8.46 3.69 2.01 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 1.55 1.02 0.87 0.00 0.00 71 K 8.05 3.76 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.73 7.81 72 R 8.34 4.12 0.00 1.98 1.73 0.00 2.96 0.00 0.00 2.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.79 0.00 73 A 8.12 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.26 0.00 1.97 2.02 0.00 2.79 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.43 0.00 75 I 7.95 3.90 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.12 0.94 0.00 0.00 76 L 7.94 3.80 0.00 1.84 1.82 1.18 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.88 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 78 L 8.50 4.73 0.00 1.63 1.72 0.98 1.06 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 79 L 7.58 4.86 0.00 1.77 1.52 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.53 0.00 2.23 2.13 0.00 3.75 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 2.01 2.02 0.00 81 F 8.50 4.52 0.00 2.94 3.16 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 82 T 7.56 4.60 4.33 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 1.27 0.00 0.00 83 E 8.51 4.89 0.00 1.98 1.73 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 2.23 2.40 0.00 84 K 8.33 4.50 0.00 1.69 1.67 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.43 7.81 85 L 8.60 4.08 0.00 1.59 1.58 0.92 0.95 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 86 V 8.18 4.20 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 0.88 0.00 0.00 0.97 0.00 0.00 87 R 8.36 3.73 0.00 1.97 1.93 0.00 3.36 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 88 K 8.01 4.15 0.00 1.66 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81