NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4672 8.2893 120.3224 54.6910 32.6894 174.6336 2 N 3.9989 8.8989 121.1750 54.5933 38.8808 178.0350 3 S 3.2285 8.7225 106.4707 57.2856 66.1399 176.8593 4 G 3.8039 9.0546 107.4736 47.4513 0.0000 174.7387 5 R 3.9826 8.0970 119.8136 59.2401 30.0332 178.9269 6 A 3.9977 7.5229 119.5253 55.3522 18.1367 179.3084 7 N 4.4252 7.7011 112.4699 55.6498 38.6836 177.1288 8 Q 4.1963 7.6283 118.3904 58.7683 29.1575 177.9351 9 R 4.1537 8.3609 118.1231 59.2134 30.4326 177.9846 10 S 3.2420 7.4321 108.5510 59.2754 63.9254 175.3851 11 K 4.4469 7.5708 121.8012 54.0224 33.9875 174.9068 12 P 4.3939 0.0000 0.0000 62.8116 31.9072 175.5334 13 M 4.2825 8.3697 120.1771 54.9174 32.6789 175.7160 14 T 4.5230 8.2527 122.3950 61.5517 71.9512 174.1344 15 G 3.3736 9.0848 115.7869 46.0707 0.0000 174.5667 16 L 3.4116 7.0752 119.9783 55.3285 39.6631 174.0703 17 I 5.2832 8.2298 126.8597 58.6919 39.0427 175.9649 18 N 4.7845 8.3364 122.6429 51.0577 39.3474 175.2448 19 D 4.4270 8.7846 117.5063 57.9193 40.7022 178.6623 20 K 4.2752 8.0839 115.2613 56.8807 31.6832 176.7984 21 K 4.0000 8.0675 116.2010 57.2906 30.4857 174.5140 22 E 4.5638 7.7693 118.0583 54.8822 31.0272 176.0607 23 K 4.5848 8.3174 121.4131 56.0341 33.2953 176.8090 24 I 4.2621 7.8177 120.5731 62.4673 39.8446 174.9251 25 D 4.2991 8.5330 120.4819 55.3732 40.4771 178.1873 26 A 3.9679 7.7831 128.2466 55.1020 19.4123 176.7730 27 Y 4.5937 7.6205 110.2061 56.3793 40.7358 174.0972 28 L 4.1428 8.3962 122.7881 52.2724 41.7136 174.9541 29 P 4.4022 0.0000 0.0000 62.6610 31.9640 176.4514 30 R 4.2367 8.4416 118.6056 56.1779 31.4708 175.1971 31 K 5.0303 8.3451 123.1249 54.2983 34.9089 175.1471 32 C 4.2969 9.0171 128.4143 59.9761 31.8406 174.2973 33 D 4.3920 8.9872 127.1164 56.5297 40.7825 176.8917 34 W 5.1399 9.2100 129.7227 53.3058 29.5326 174.5368 35 S 5.4161 9.7808 125.6055 57.8750 60.1172 176.4218 36 N 4.1990 7.9975 117.3108 54.2303 36.6397 171.5663 37 K 4.7155 7.4497 120.2354 54.6623 36.8341 174.7664 38 L 4.8500 8.3175 122.0302 53.3020 43.1680 176.6836 39 I 4.2224 8.3870 125.0968 60.5245 37.6451 176.0786 40 F 3.9461 9.2450 126.1655 57.9685 39.0137 175.0823 41 S 4.7794 8.6622 115.0754 59.4873 63.4972 175.2195 42 N 4.9513 7.9906 117.4437 52.2064 37.1744 174.6391 43 D 4.3543 8.4020 119.8136 54.9678 39.9876 175.6135 44 Q 4.1125 8.5434 124.8618 59.1159 28.8860 178.4880 45 S 4.4851 7.9351 108.8286 58.5414 63.1384 173.3040 46 S 5.0010 7.6452 116.5468 57.3175 64.3763 173.9019 47 V 4.5735 8.4416 121.3792 59.9059 35.1923 174.1942 48 Q 5.0028 8.6258 123.0183 54.5808 30.5916 174.9003 49 I 4.2952 8.7415 128.1491 60.7072 39.0589 175.0447 50 A 5.0978 8.4564 126.4428 49.4448 20.9747 175.4790 51 I 4.6184 8.9256 123.4414 59.7187 40.5107 175.0357 52 A 4.9877 8.4996 126.6975 50.7061 20.9646 176.0048 53 E 4.3652 9.1504 122.0664 55.2053 31.1103 175.7161 54 V 4.6708 8.4624 125.9928 61.2416 33.9864 175.6899 55 G 3.8382 8.1166 113.9984 45.1946 0.0000 172.7082 56 E 3.8984 8.4713 120.9455 57.2786 27.5438 176.3960 57 N 4.8445 8.2559 114.7849 53.7044 41.1864 175.9143 58 G 3.9444 8.4509 107.3981 45.4765 0.0000 174.2372 59 Q 4.2934 7.6491 118.2479 55.0632 30.0182 174.2366 60 A 4.9322 8.2000 121.8130 50.8518 21.0952 176.4683 61 T 4.5956 8.2971 118.1834 61.4992 71.2365 176.3600 62 G 4.0167 8.3745 114.4901 45.0977 0.0000 173.8832 63 S 4.6775 7.4632 114.1443 57.2835 67.8856 175.3815 64 K 5.0963 8.7720 123.0170 54.8458 35.8457 175.4189 65 T 4.7002 9.3776 119.2095 61.9716 71.7614 173.0575 66 N 5.5189 8.7206 122.2575 51.6493 42.0659 173.8955 67 V 4.4002 8.4321 120.9982 61.2997 35.0415 174.1849 68 V 4.4254 9.7712 129.1726 61.6502 33.4586 174.4750 69 L 4.8584 8.7854 127.8951 52.7098 44.5267 176.0831 70 C 4.3123 8.9771 119.3898 58.4365 30.0532 174.9966 71 G 3.6272 8.8765 104.7926 47.6341 0.0000 175.5359 72 S 4.0616 7.9418 116.7093 61.1494 62.8704 176.6256 73 V 3.3907 7.7337 121.8828 65.3840 30.8750 177.7192 74 R 3.9669 7.6763 117.1353 59.0083 29.6733 177.9640 75 S 4.3100 8.2687 113.2302 60.2914 62.0926 174.9846 76 K 4.4650 7.8480 119.4081 55.1530 32.5889 176.5705 77 G 3.9232 7.5074 105.5758 46.8675 0.0000 174.9194 78 E 4.1076 8.7803 120.0722 58.9504 30.2042 179.7883 79 A 4.0402 6.8659 119.7625 54.6074 20.1180 178.5181 80 H 4.4247 8.3258 109.4505 58.1868 28.7482 176.9477 81 I 3.8000 8.4933 119.9841 62.2931 38.9015 177.4247 82 A 4.4484 7.8596 122.0345 55.1454 18.3665 179.0570 83 L 3.8688 9.1783 119.0639 58.3952 41.1430 178.7212 84 E 3.6729 7.6845 117.7197 58.5638 29.3179 177.7625 85 N 4.6871 7.3624 114.7077 54.8839 39.7986 176.9249 86 I 3.8635 7.6004 120.7569 63.5476 37.1503 177.9095 87 L 4.2571 8.0003 119.8168 56.6995 41.6261 179.4266 88 R 3.9146 7.2754 115.6844 59.2884 29.8645 178.2666 89 E 3.9451 7.8489 116.8478 59.6158 29.7239 180.2347 90 R 4.4942 8.0107 115.8962 57.5657 32.5101 178.0650 91 G 3.9489 7.9332 101.6546 46.4942 0.0000 172.2693 92 L 4.6000 9.1669 124.0368 56.3590 49.8100 176.2134 93 Y 4.2362 8.2932 118.7876 60.0673 38.6195 174.7841 94 P 3.8687 0.0000 0.0000 62.5776 31.3146 176.1703 95 I 4.1551 7.7169 125.5203 59.4116 36.9815 175.2287 96 Q 4.1240 8.7211 124.7829 55.7601 29.4766 176.3292 97 E 4.0344 8.0833 121.9041 55.5676 29.8898 176.5489 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 1 M 8.29 4.47 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 N 8.90 4.00 0.00 3.00 3.06 0.00 0.00 5.93 6.76 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 3 S 8.72 3.23 0.00 4.10 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 4 G 9.05 3.80 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 0.00 5 R 8.10 3.98 0.00 2.03 1.95 0.00 2.95 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 6 A 7.52 4.00 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 7 N 7.70 4.43 0.00 2.85 2.89 0.00 0.00 7.07 7.57 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 8 Q 7.63 4.20 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 9 R 8.36 4.15 0.00 1.80 2.03 0.00 3.23 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 10 S 7.43 3.24 0.00 3.79 3.82 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 11 K 7.57 4.45 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.36 7.81 12 P 0.00 4.39 0.00 2.17 2.04 0.00 3.75 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 1.98 1.94 0.00 13 M 8.37 4.28 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 14 T 8.25 4.52 4.23 0.00 0.00 0.00 0.00 0.00 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 15 G 9.08 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 16 L 7.08 3.41 0.00 1.99 1.82 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.23 5.28 1.86 0.00 0.00 0.85 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 0.65 0.95 0.00 0.00 18 N 8.34 4.78 0.00 2.86 2.96 0.00 0.00 6.23 8.07 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 19 D 8.78 4.43 0.00 2.68 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 20 K 8.08 4.28 0.00 1.86 1.81 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.40 7.81 21 K 8.07 4.00 0.00 1.76 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.53 7.81 22 E 7.77 4.56 0.00 2.19 1.85 0.00 0.00 0.00 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 2.45 0.00 23 K 8.32 4.58 0.00 1.74 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 24 I 7.82 4.26 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 1.30 0.88 0.91 0.00 0.00 25 D 8.53 4.30 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 3.97 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 27 Y 7.62 4.59 0.00 3.09 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 28 L 8.40 4.14 0.00 1.61 1.60 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.40 0.00 2.08 1.75 0.00 3.45 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 30 R 8.44 4.24 0.00 1.85 1.93 0.00 3.11 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 31 K 8.35 5.03 0.00 1.73 1.67 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.41 7.81 32 C 9.02 4.30 0.00 3.07 2.92 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 33 D 8.99 4.39 0.00 2.81 2.77 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 34 W 9.21 5.14 0.00 3.15 2.92 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 35 S 9.78 5.42 0.00 3.96 3.89 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 0.00 0.00 0.00 36 N 8.00 4.20 0.00 2.97 2.99 0.00 0.00 7.00 6.45 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 37 K 7.45 4.72 0.00 1.84 1.63 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.47 7.81 38 L 8.32 4.85 0.00 1.55 1.54 0.85 0.80 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 39 I 8.39 4.22 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.43 1.01 0.00 0.00 40 F 9.24 3.95 0.00 3.03 3.31 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 41 S 8.66 4.78 0.00 3.90 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 42 N 7.99 4.95 0.00 2.80 2.90 0.00 0.00 6.02 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 43 D 8.40 4.35 0.00 2.91 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 44 Q 8.54 4.11 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.21 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 45 S 7.94 4.49 0.00 3.94 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 46 S 7.65 5.00 0.00 3.87 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 0.00 47 V 8.44 4.57 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 0.76 0.00 0.00 0.95 0.00 0.00 48 Q 8.63 5.00 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 49 I 8.74 4.30 1.90 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 1.19 0.42 0.94 0.00 0.00 50 A 8.46 5.10 1.24 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 0.00 0.00 0.00 51 I 8.93 4.62 1.89 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 1.19 1.04 0.94 0.00 0.00 52 A 8.50 4.99 1.22 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 0.00 0.00 0.00 0.00 0.00 53 E 9.15 4.37 0.00 2.01 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 2.26 2.25 0.00 54 V 8.46 4.67 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 0.93 0.00 0.00 0.93 0.00 0.00 55 G 8.12 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.47 3.90 0.00 2.04 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 2.25 2.26 0.00 57 N 8.26 4.84 0.00 3.00 2.74 0.00 0.00 6.98 6.93 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 58 G 8.45 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 59 Q 7.65 4.29 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 60 A 8.20 4.93 1.22 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 0.00 0.00 0.00 0.00 0.00 61 T 8.30 4.60 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 1.25 0.00 0.00 62 G 8.37 4.02 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 0.00 0.00 0.00 63 S 7.46 4.68 0.00 3.97 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 64 K 8.77 5.10 0.00 1.60 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 65 T 9.38 4.70 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 1.22 0.00 0.00 66 N 8.72 5.52 0.00 2.64 2.72 0.00 0.00 6.51 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 67 V 8.43 4.40 2.12 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 1.05 0.00 0.00 0.96 0.00 0.00 68 V 9.77 4.43 2.34 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 0.94 0.00 0.00 0.97 0.00 0.00 69 L 8.79 4.86 0.00 1.63 1.57 0.97 0.67 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 70 C 8.98 4.31 0.00 2.98 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 71 G 8.88 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 72 S 7.94 4.06 0.00 3.98 4.09 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 73 V 7.73 3.39 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 0.83 0.00 0.00 0.67 0.00 0.00 74 R 7.68 3.97 0.00 2.05 2.06 0.00 3.32 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 75 S 8.27 4.31 0.00 3.88 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 76 K 7.85 4.47 0.00 1.70 1.76 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.66 7.81 77 G 7.51 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 0.00 0.00 0.00 78 E 8.78 4.11 0.00 2.10 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 2.00 2.26 0.00 79 A 6.87 4.04 1.37 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 80 H 8.33 4.42 0.00 3.32 3.59 0.00 5.45 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.49 3.80 1.50 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 1.22 1.29 0.93 0.00 0.00 82 A 7.86 4.45 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.18 3.87 0.00 1.86 1.78 0.96 0.90 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 84 E 7.68 3.67 0.00 1.76 1.75 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 1.74 1.47 0.00 85 N 7.36 4.69 0.00 3.03 2.52 0.00 0.00 6.85 7.31 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 86 I 7.60 3.86 1.87 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 1.44 0.72 0.90 0.00 0.00 87 L 8.00 4.26 0.00 1.81 1.90 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.28 3.91 0.00 1.88 1.96 0.00 3.37 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 89 E 7.85 3.95 0.00 2.07 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 2.24 2.49 0.00 90 R 8.01 4.49 0.00 1.80 1.94 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 91 G 7.93 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 0.00 0.00 0.00 92 L 9.17 4.60 0.00 1.71 1.69 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.29 4.24 0.00 2.90 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 94 P 0.00 3.87 0.00 2.05 1.97 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 95 I 7.72 4.16 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.85 0.00 0.00 96 Q 8.72 4.12 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 97 E 8.08 4.03 0.00 1.90 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 0.00 2.27 2.41 0.00