NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2147 8.1727 122.0529 56.2980 34.1575 173.8587 2 V 4.6253 8.1358 126.3350 60.7607 32.5852 174.6249 3 F 4.3037 9.8778 128.8062 57.3271 40.2713 175.0423 4 E 4.1676 9.4227 121.7120 56.0656 30.7236 177.3953 5 R 3.4025 9.0619 122.1302 60.5820 30.0154 179.5804 6 C 4.3624 8.0805 115.2369 59.6597 34.6413 175.7618 7 E 3.9051 8.0674 120.9329 59.1214 29.2672 178.3918 8 L 3.6631 8.0524 120.2634 57.6784 41.9646 178.5982 9 A 3.9397 7.7373 120.4776 55.3489 18.2637 179.6050 10 R 3.8573 7.9848 116.3298 59.8648 30.0837 179.4776 11 T 3.8379 7.7333 114.7354 66.6608 68.4080 176.7794 12 L 3.8195 8.0133 121.1300 57.4944 41.5244 179.4785 13 K 3.8672 8.2038 119.7199 59.5435 31.9436 178.5877 14 R 3.9006 7.9679 117.8941 59.4675 29.9543 177.5358 15 L 4.3847 7.7975 115.9594 54.1028 41.6727 176.8467 16 G 3.8716 7.9525 106.5321 47.1733 0.0000 175.2401 17 M 3.9118 8.1254 120.2205 55.7046 32.5236 175.9207 18 D 4.5577 7.9488 118.5918 55.7919 41.1744 175.9720 19 G 3.9483 9.7741 116.3118 45.1412 0.0000 171.4488 20 Y 4.1472 8.1295 121.4955 58.8216 38.8032 176.2870 21 R 3.6410 9.0850 126.8824 57.2335 27.7544 177.4088 22 G 3.8790 8.1423 104.0945 45.5187 0.0000 174.0546 23 I 4.1202 7.7636 122.2709 59.4544 38.4574 175.8621 24 S 4.6760 8.2813 119.7900 57.4698 64.2169 174.7462 25 L 4.2491 8.8910 123.3983 58.6516 41.6338 179.3620 26 A 4.1401 7.6727 118.5705 55.3280 18.3167 179.3897 27 N 4.3953 8.1450 115.0135 56.1698 38.6136 177.7518 28 W 4.1193 7.9051 120.0146 59.6776 29.1388 178.4520 29 M 4.1845 8.4904 119.0972 58.6017 31.5581 177.8217 30 C 3.1318 8.1293 118.7657 59.1140 40.8468 175.4294 31 L 3.9906 7.9774 121.5514 58.2363 41.7383 178.8366 32 A 4.2339 8.1496 120.7308 55.0013 18.3150 179.4253 33 K 3.1815 8.3412 118.2440 59.3730 32.0392 178.9705 34 W 4.3329 7.9144 117.3702 59.1672 29.1652 178.2857 35 E 4.3830 8.7127 118.9564 58.5889 29.3464 177.6885 36 S 4.4949 8.3952 109.7118 56.7618 64.8297 175.0201 37 G 3.2716 8.4520 108.6832 46.5259 0.0000 173.9597 38 Y 3.8322 7.7497 114.6262 58.1481 35.8859 167.8772 39 N 5.2820 7.9082 120.2346 52.2399 39.6331 176.0114 40 T 4.0918 8.9168 116.4786 63.7321 69.1715 175.7796 41 R 4.6411 8.2953 120.6153 55.8831 30.5675 176.1254 42 A 4.4356 7.6327 121.2039 52.6921 19.4598 177.5256 43 T 5.0456 8.1653 108.5720 60.8075 72.0266 172.6330 44 N 4.9469 8.9552 121.3229 52.6042 42.9210 172.2165 45 Y 4.8500 8.7142 127.4294 56.5586 40.3873 174.4933 46 N 4.4878 8.5674 125.1419 51.3937 39.2723 175.5589 47 A 3.5493 8.2918 128.2606 54.8626 18.7868 179.7093 48 G 3.9208 7.9665 103.6220 48.6387 0.0000 174.0970 49 D 4.5269 7.1893 113.4513 53.0023 40.9253 175.8409 50 R 3.8464 8.0263 116.7474 57.1820 28.3709 176.0163 51 S 4.8006 8.0181 114.5042 57.6278 65.9682 172.8331 52 T 5.1088 9.2771 115.1686 62.2199 72.6068 172.9904 53 D 5.5613 9.3709 125.2752 53.2365 43.2283 175.1984 54 Y 4.7935 8.9955 120.1894 57.3502 42.2596 177.1199 55 G 4.2604 8.9302 111.8595 45.2148 0.0000 173.6698 56 I 3.4504 8.3093 117.5644 63.6062 37.5649 176.5230 57 F 4.8412 7.9829 114.9528 56.4120 39.8403 175.0823 58 Q 3.6524 8.2911 118.8502 57.1389 26.5233 174.3535 59 I 4.3450 8.2275 119.0066 60.9405 38.8371 176.9383 60 N 5.3600 9.5223 126.5096 53.3499 39.6519 175.4892 61 S 4.6854 9.3406 120.7067 59.8135 63.5182 175.3510 62 R 3.8018 8.4329 122.3512 58.8890 30.3893 177.3458 63 Y 4.1242 7.5038 114.8446 58.1167 40.2634 177.6588 64 W 4.9007 8.1088 118.2785 57.8805 31.1456 173.9845 65 C 5.6497 8.2280 112.3502 53.5282 42.4068 171.9278 66 N 5.1064 9.4173 119.7174 52.1992 39.7732 174.7887 67 D 4.6505 8.8324 124.2664 52.3225 40.5224 176.8148 68 G 3.9769 9.0033 107.9475 46.1782 0.0000 174.6425 69 K 4.6147 8.7153 115.7484 56.7893 33.7306 175.6197 70 T 4.5979 7.8782 116.1267 61.3304 70.4180 172.4068 71 P 4.2929 0.0000 0.0000 63.7820 32.0724 176.3086 72 G 3.7582 8.8084 107.8233 46.1520 0.0000 173.3519 73 A 4.8095 7.7487 121.3654 51.5005 18.8735 178.7043 74 V 4.0332 8.1461 114.3053 60.3664 34.0472 175.3905 75 N 4.2337 8.1350 117.3936 54.2356 36.8962 174.9807 76 A 4.0009 8.3319 120.9296 54.8905 18.9777 178.2670 77 C 4.5551 8.4189 111.5464 56.6104 41.3560 173.1101 78 H 4.1511 8.1589 116.1587 56.5197 26.2442 174.6996 79 L 4.8001 8.7242 118.2020 52.9795 46.3292 176.3059 80 S 4.8530 8.4745 116.8073 57.5125 64.3055 175.7977 81 C 4.0592 8.9015 123.2786 60.2030 35.3538 176.6319 82 S 4.0824 7.4111 116.8501 61.3197 62.1583 176.2264 83 K 4.2672 8.3738 119.5733 57.8260 31.8902 178.0247 84 L 4.7031 7.9401 118.8700 54.6893 42.0033 176.6777 85 L 4.7676 7.5680 118.3871 54.4886 42.1972 176.1214 86 D 4.8062 7.6406 119.0209 52.2265 41.4987 175.5698 87 D 4.5672 8.5220 117.0525 55.1581 41.2611 175.7977 88 N 4.8866 8.0110 118.7221 52.1683 40.2385 174.4774 89 I 4.7108 8.5248 119.6765 60.3628 38.1902 177.2571 90 A 3.9673 7.7749 124.4209 55.7400 18.0694 180.1991 91 D 4.3584 8.0438 117.1480 56.3552 39.6122 178.2921 92 D 4.4292 8.1322 119.9857 57.4171 40.9070 178.7910 93 V 3.4190 8.2356 118.7808 65.8225 31.1534 177.9097 94 A 3.8496 7.9199 120.5656 55.1214 18.1727 178.8982 95 C 4.1638 8.4264 116.9157 59.8036 37.9517 175.4995 96 A 3.8704 8.3485 122.7049 55.2225 17.5527 179.7387 97 K 3.7915 7.5584 116.0608 59.4077 32.4007 179.2786 98 R 4.0427 7.6153 118.7473 59.3517 29.9220 178.5855 99 V 2.5094 7.4092 118.0406 65.7163 31.2304 177.8649 100 V 3.8929 7.6788 109.7122 62.7272 31.4269 178.1046 101 R 4.1414 7.6427 117.1244 57.3653 30.3772 176.4899 102 D 4.6810 7.3097 119.2946 52.9424 41.6656 175.2545 103 P 4.2118 0.0000 0.0000 66.1682 31.5529 178.2584 104 Q 4.0458 8.1360 116.0475 56.4162 29.8371 177.2616 105 G 3.8526 8.1196 107.5026 46.9198 0.0000 175.2478 106 I 3.7178 7.7396 119.6602 62.8937 38.0260 177.8963 107 R 4.3624 7.5152 117.3864 57.8955 30.1052 177.2823 108 A 4.1898 7.4354 121.0769 53.8558 18.6991 178.5511 109 W 4.6563 8.1265 117.0806 55.7657 30.3438 178.0279 110 V 3.7828 8.6803 117.9814 64.2977 31.0107 178.2579 111 A 3.9827 8.2787 120.2784 55.0228 18.1713 179.3260 112 W 3.9326 8.3795 126.3060 60.6005 30.6394 178.2963 113 R 3.6365 7.9740 116.7738 59.2294 29.5771 178.4043 114 N 4.3931 8.0967 115.2882 54.9395 38.7865 176.6858 115 R 4.1412 7.6227 116.0499 55.7583 31.6254 175.6089 116 C 4.5231 7.0849 114.9998 57.6737 42.9093 174.2923 117 Q 3.3088 6.5356 120.0595 57.1933 28.6319 176.0770 118 N 4.2311 8.6945 120.2661 53.7138 36.3803 173.7925 119 R 4.5353 7.1895 116.3727 53.8024 32.7294 175.1264 120 D 4.5136 8.4841 119.1537 54.5700 41.6035 176.0962 121 V 4.7500 8.3764 117.9196 61.1558 33.0518 177.4207 122 R 4.0614 8.8819 122.7074 59.3054 30.2212 178.7439 123 Q 3.9671 8.3159 115.4717 59.4195 28.3748 178.5211 124 Y 4.1184 7.9224 115.3682 60.2681 38.0603 177.4655 125 V 4.4444 8.0443 110.4856 60.6989 32.7426 175.1815 126 Q 3.9493 7.7829 120.6489 57.4654 28.6439 176.9909 127 G 3.9557 8.9950 110.7049 45.9097 0.0000 174.4706 128 C 4.3722 7.9054 116.8233 56.8502 40.6854 174.8488 129 G 3.9051 8.2005 106.5646 46.1181 0.0000 174.0206 130 V 3.8789 7.7266 117.9346 61.3001 31.7313 176.0530 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 K 8.17 4.21 0.00 2.01 1.66 0.00 1.31 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.20 7.81 2 V 8.14 4.63 2.10 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 0.94 0.00 0.00 0.96 0.00 0.00 3 F 9.88 4.30 0.00 2.90 2.89 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 4 E 9.42 4.17 0.00 1.89 1.87 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 2.31 2.38 0.00 5 R 9.06 3.40 0.00 2.00 1.96 0.00 3.42 0.00 0.00 3.45 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 6 C 8.08 4.36 0.00 3.00 3.12 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 7 E 8.07 3.91 0.00 2.06 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 0.00 2.60 2.41 0.00 8 L 8.05 3.66 0.00 1.36 1.35 0.02 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.74 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.98 3.86 0.00 2.10 2.01 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 11 T 7.73 3.84 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 1.19 0.00 0.00 12 L 8.01 3.82 0.00 1.76 1.59 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.20 3.87 0.00 1.96 1.96 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 R 7.97 3.90 0.00 1.96 2.10 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 15 L 7.80 4.38 0.00 1.51 1.54 0.84 1.14 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 16 G 7.95 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 0.00 0.00 0.00 17 M 8.13 3.91 0.00 1.06 1.77 0.00 0.00 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 18 D 7.95 4.56 0.00 2.68 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 19 G 9.77 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 20 Y 8.13 4.15 0.00 3.28 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 21 R 9.09 3.64 0.00 1.84 1.80 0.00 3.18 0.00 0.00 2.72 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 22 G 8.14 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 0.00 0.00 0.00 23 I 7.76 4.12 1.89 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.57 -0.11 0.00 0.00 24 S 8.28 4.68 0.00 4.06 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 25 L 8.89 4.25 0.00 2.05 1.82 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.67 4.14 1.49 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 27 N 8.15 4.40 0.00 2.79 2.75 0.00 0.00 6.96 7.66 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 28 W 7.91 4.12 0.00 3.57 3.21 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 0.00 0.00 0.00 0.00 29 M 8.49 4.18 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.98 0.00 30 C 8.13 3.13 0.00 2.46 3.10 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 31 L 7.98 3.99 0.00 1.84 1.90 0.36 0.07 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 32 A 8.15 4.23 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 3.18 0.00 1.82 1.88 0.00 0.81 0.00 0.00 0.92 0.00 0.00 2.55 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 0.80 7.81 34 W 7.91 4.33 0.00 3.33 3.22 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 35 E 8.71 4.38 0.00 2.08 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 2.59 2.44 0.00 36 S 8.40 4.49 0.00 4.02 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 37 G 8.45 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 0.00 0.00 0.00 38 Y 7.75 3.83 0.00 3.38 3.10 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 39 N 7.91 5.28 0.00 2.78 2.82 0.00 0.00 6.98 7.28 0.00 0.00 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 T 8.92 4.09 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 41 R 8.30 4.64 0.00 1.84 2.00 0.00 3.19 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 42 A 7.63 4.44 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 43 T 8.17 5.05 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 1.16 0.00 0.00 44 N 8.96 4.95 0.00 2.92 2.71 0.00 0.00 6.96 7.37 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 45 Y 8.71 4.85 0.00 2.95 2.87 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 N 8.57 4.49 0.00 2.60 2.63 0.00 0.00 6.48 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 47 A 8.29 3.55 1.33 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 0.00 0.00 0.00 48 G 7.97 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 49 D 7.19 4.53 0.00 2.72 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 50 R 8.03 3.85 0.00 1.99 2.14 0.00 3.19 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 51 S 8.02 4.80 0.00 3.89 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 52 T 9.28 5.11 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 53 D 9.37 5.56 0.00 2.75 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 54 Y 9.00 4.79 0.00 2.95 2.88 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 55 G 8.93 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 0.00 0.00 0.00 0.00 56 I 8.31 3.45 1.70 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.75 0.11 0.00 0.00 57 F 7.98 4.84 0.00 3.22 3.01 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 0.00 0.00 0.00 58 Q 8.29 3.65 0.00 2.55 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.85 0.00 0.00 0.00 0.00 0.00 2.55 2.84 0.00 59 I 8.23 4.34 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 1.15 0.00 0.00 60 N 9.52 5.36 0.00 3.08 3.02 0.00 0.00 7.45 7.50 0.00 0.00 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 S 9.34 4.69 0.00 4.01 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.43 3.80 0.00 1.62 1.68 0.00 2.68 0.00 0.00 2.81 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 63 Y 7.50 4.12 0.00 1.43 1.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.11 4.90 0.00 3.45 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 65 C 8.23 5.65 0.00 3.12 3.23 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 0.00 66 N 9.42 5.11 0.00 2.82 2.71 0.00 0.00 7.12 6.94 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 67 D 8.83 4.65 0.00 2.78 2.57 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 0.00 0.00 0.00 0.00 68 G 9.00 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 69 K 8.72 4.61 0.00 1.86 1.85 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.78 7.81 70 T 7.88 4.60 4.24 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 1.22 0.00 0.00 71 P 0.00 4.29 0.00 2.16 2.05 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 72 G 8.81 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 0.00 0.00 0.00 73 A 7.75 4.81 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 74 V 8.15 4.03 2.02 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 0.70 0.00 0.00 0.88 0.00 0.00 75 N 8.14 4.23 0.00 2.92 2.80 0.00 0.00 7.11 7.74 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 76 A 8.33 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 77 C 8.42 4.56 0.00 3.27 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 78 H 8.16 4.15 0.00 3.33 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.72 4.80 0.00 1.65 1.51 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.47 4.85 0.00 3.97 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 81 C 8.90 4.06 0.00 2.06 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 0.00 0.00 0.00 82 S 7.41 4.08 0.00 3.89 3.91 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 0.00 0.00 0.00 83 K 8.37 4.27 0.00 1.82 2.03 0.00 1.70 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 84 L 7.94 4.70 0.00 1.80 1.82 1.03 0.99 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 85 L 7.57 4.77 0.00 1.73 1.77 1.14 1.19 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 86 D 7.64 4.81 0.00 2.80 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 87 D 8.52 4.57 0.00 2.67 2.70 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 88 N 8.01 4.89 0.00 2.68 2.73 0.00 0.00 6.97 7.94 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 89 I 8.52 4.71 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.91 0.89 0.00 0.00 90 A 7.77 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.04 4.36 0.00 2.93 2.94 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 92 D 8.13 4.43 0.00 3.00 2.94 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 93 V 8.24 3.42 2.16 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 0.69 0.00 0.00 0.88 0.00 0.00 94 A 7.92 3.85 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 95 C 8.43 4.16 0.00 3.02 3.24 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 96 A 8.35 3.87 0.76 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 0.00 0.00 97 K 7.56 3.79 0.00 1.60 1.45 0.00 1.25 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 0.95 7.81 98 R 7.62 4.04 0.00 1.92 2.07 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 99 V 7.41 2.51 1.80 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 -0.06 0.00 0.00 -0.60 0.00 0.00 100 V 7.68 3.89 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 1.13 0.00 0.00 1.38 0.00 0.00 101 R 7.64 4.14 0.00 2.04 2.03 0.00 3.22 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.06 0.00 102 D 7.31 4.68 0.00 2.93 2.62 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 0.00 103 P 0.00 4.21 0.00 2.01 2.12 0.00 3.67 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 2.01 2.12 0.00 104 Q 8.14 4.05 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.90 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 8.12 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.74 3.72 1.06 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 -0.20 0.83 -0.67 0.00 0.00 107 R 7.52 4.36 0.00 2.05 2.06 0.00 3.29 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.66 0.00 108 A 7.44 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.13 4.66 0.00 3.42 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 0.00 110 V 8.68 3.78 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 0.86 0.00 0.00 0.98 0.00 0.00 111 A 8.28 3.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.38 3.93 0.00 3.40 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.97 3.64 0.00 2.10 1.98 0.00 3.28 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 114 N 8.10 4.39 0.00 2.51 2.66 0.00 0.00 6.88 7.17 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 0.00 115 R 7.62 4.14 0.00 0.91 0.67 0.00 2.21 0.00 0.00 2.43 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 116 C 7.08 4.52 0.00 1.83 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 0.00 117 Q 6.54 3.31 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.09 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 118 N 8.69 4.23 0.00 2.80 2.87 0.00 0.00 6.94 7.66 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 0.00 119 R 7.19 4.54 0.00 1.82 1.82 0.00 3.27 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 120 D 8.48 4.51 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.38 4.75 2.31 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 0.90 0.00 0.00 1.03 0.00 0.00 122 R 8.88 4.06 0.00 2.05 2.03 0.00 3.18 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 123 Q 8.32 3.97 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.87 0.00 0.00 0.00 0.00 0.00 2.12 1.51 0.00 124 Y 7.92 4.12 0.00 3.17 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 0.00 125 V 8.04 4.44 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 0.93 0.00 0.00 1.07 0.00 0.00 126 Q 7.78 3.95 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 127 G 8.99 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 128 C 7.91 4.37 0.00 2.94 3.15 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 0.00 129 G 8.20 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.73 3.88 2.10 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 0.71 0.00 0.00 0.96 0.00 0.00