NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3739 8.3044 120.3485 54.8517 33.4153 174.9135 1 Q 3.7682 8.6212 127.0926 55.4464 29.9394 173.8582 2 D 4.5999 9.4268 126.0375 53.2333 41.7554 174.5439 3 P 4.2320 0.0000 0.0000 66.0687 31.8241 177.9408 4 Y 4.4351 8.2042 116.3849 59.8707 37.9160 178.0941 5 V 2.9984 6.3581 113.9349 63.9732 31.4987 177.9654 6 K 3.7283 7.2140 118.1622 60.0135 31.7640 178.6843 7 E 3.9200 8.0878 117.6115 59.0325 29.3716 179.2055 8 A 4.0784 8.2520 121.6536 55.1701 18.5191 179.5693 9 E 3.9324 8.5778 117.6322 59.2048 29.5988 178.8592 10 N 4.2716 8.3282 117.3696 56.8762 38.9635 176.6649 11 L 4.0581 7.9635 120.1197 57.8852 41.7437 179.3171 12 K 3.9048 8.1856 119.3708 59.6529 31.9414 178.8936 13 K 3.9639 8.2120 118.4067 59.6491 31.8684 178.3446 14 Y 4.1103 7.6964 118.5949 60.9915 38.5552 177.7269 15 F 4.0751 8.8317 115.0744 57.6520 39.8043 174.7146 16 N 4.1362 8.4815 119.2251 54.5241 37.2941 173.8867 17 A 4.3003 8.2875 119.6948 53.2355 19.8521 178.5926 18 G 3.9236 7.8149 104.9786 44.0823 0.0000 171.7531 19 H 4.7214 8.8280 129.6759 57.0760 32.0983 176.9449 20 S 3.4724 6.8275 120.5539 59.7923 64.5194 175.4594 21 D 5.0866 8.5000 118.5031 57.3959 41.1035 179.9166 22 V 3.4563 7.8166 117.1052 64.6730 31.1572 177.4342 23 A 4.1078 7.8581 122.2455 54.3728 18.7783 177.6600 24 D 4.4222 8.5900 117.0397 55.4552 41.4310 173.5587 25 N 4.1524 8.5146 121.5834 55.0334 35.4631 176.5995 26 G 3.7371 8.0785 112.1252 46.2644 0.0000 170.3025 27 T 4.5441 7.9755 111.8361 59.6828 71.3338 173.7537 28 L 3.7327 7.8585 125.2525 57.0289 41.5765 178.1951 29 F 4.6453 7.1275 116.9350 57.7282 40.1860 180.1922 30 L 3.7303 7.3155 123.7263 57.1394 42.7570 178.9071 31 G 3.7348 7.9195 104.2803 47.7314 0.0000 175.6797 32 I 3.8068 7.9566 122.6576 64.0910 37.1529 178.2258 33 L 4.2815 8.0606 119.9125 57.2084 41.7435 178.0497 34 K 4.0724 7.9634 118.3669 58.5077 32.3885 177.4421 35 N 4.3419 7.6982 114.7901 52.8356 38.5895 174.7243 36 W 4.8636 7.1058 120.0178 54.8359 31.8293 175.1082 37 K 4.4719 8.7154 121.5925 56.2640 34.0339 176.5829 38 E 4.1106 8.2448 120.5006 55.6101 30.3893 176.0702 39 E 3.8947 9.0104 127.6326 59.7746 29.3592 178.4810 40 S 4.0580 8.0831 110.9148 61.7158 62.6092 175.3677 41 D 4.3604 7.7672 120.2550 57.6346 40.5964 178.9295 42 R 3.9705 8.1712 118.3427 59.6483 30.0165 179.1403 43 K 4.1994 8.2579 118.2119 58.9372 31.9205 179.0697 44 I 3.9084 7.8018 112.2725 62.8733 37.7839 177.1324 45 M 4.2748 7.6434 119.8183 57.5029 33.1334 177.8103 46 Q 3.7956 8.2922 118.3869 58.8477 28.6794 179.2497 47 S 4.1296 7.9395 113.7475 61.7437 62.5646 176.3503 48 Q 4.0124 8.0214 120.0720 58.9741 28.4340 178.7878 49 I 3.0702 7.4959 120.9903 63.9709 37.0072 178.6257 50 V 3.2176 7.8885 119.7961 65.5210 31.1330 178.2605 51 S 4.3649 8.3913 114.3823 61.2210 62.6882 176.4096 52 F 3.9161 8.0241 124.1978 61.5127 39.2540 176.8585 53 Y 3.8776 7.6378 116.0570 60.6051 37.2370 178.9446 54 F 4.6753 7.7923 118.4294 60.5416 39.2908 177.4327 55 K 4.0325 8.3864 118.3780 59.5839 31.3809 178.6955 56 L 3.9852 7.7967 119.9388 58.9970 41.8397 179.3748 57 F 4.8852 8.0871 116.9737 60.1772 39.1182 177.6044 58 K 4.2705 8.4964 120.1457 59.5783 31.8257 178.5881 59 N 4.8827 7.5250 111.2799 53.5001 37.6832 175.6791 60 F 4.8554 8.3415 117.0772 57.7472 41.1802 176.2461 61 K 4.9546 8.1434 118.9580 57.0697 32.5015 177.9662 62 D 4.4572 8.1182 118.9389 57.2163 40.9735 176.2517 63 D 4.6849 7.5930 122.1459 54.2877 39.4858 176.7652 64 Q 4.0275 8.6233 123.1542 58.8330 28.9221 179.5903 65 S 4.1410 8.2558 112.4826 60.4317 62.9778 174.9134 66 I 4.2081 7.2398 111.7595 60.2824 37.9281 177.0391 67 Q 3.9016 8.0047 121.4108 59.5583 28.5249 178.5208 68 K 3.7859 8.1186 119.7110 59.9044 31.9369 178.6824 69 S 4.2106 7.7969 115.8188 61.2297 62.8043 176.7538 70 V 3.1089 7.6595 120.9973 65.3477 31.0793 178.0008 71 E 3.9196 8.2507 117.6532 59.7997 29.6837 178.9270 72 T 3.8726 7.7222 117.4302 66.2937 68.5435 176.5131 73 I 3.8277 7.9213 121.4555 64.2444 37.1584 178.3949 74 K 4.1112 7.7792 119.1646 59.6748 31.9914 178.6921 75 E 3.9847 8.3302 119.2820 59.6102 29.6416 178.3471 76 D 4.4234 7.7465 116.4251 57.6423 41.0982 177.9658 77 M 3.9335 7.9857 118.7221 58.1689 32.1691 177.8376 78 N 4.5230 8.2948 117.4321 56.9111 39.0910 177.1784 79 V 3.7346 8.0805 119.6629 64.6993 31.5428 177.3291 80 K 4.2393 7.5896 116.8623 58.1565 32.7758 177.9770 81 F 4.3726 8.1460 119.5177 59.8485 39.8431 176.2063 82 F 4.7283 7.7724 115.4634 56.5778 39.1177 175.5826 83 N 4.0205 8.9182 117.6167 55.4565 36.8901 174.0020 84 S 3.7196 7.9665 109.0738 59.3968 61.3549 172.2492 85 N 4.7986 8.3700 120.6831 51.9370 38.1440 174.6676 86 K 3.8204 8.5588 128.7801 60.0112 32.1429 177.3847 87 K 3.9571 8.4252 118.1590 58.6349 31.9053 179.2873 88 K 4.0794 8.5545 119.5305 59.4113 32.5747 178.2594 89 R 2.6436 7.4704 118.4047 59.3843 30.0057 178.0176 90 D 4.3625 7.8614 118.1636 57.4536 40.8028 178.8225 91 D 4.2304 8.4452 119.5910 57.3111 40.6805 178.0900 92 F 4.1133 7.9750 119.9297 61.8651 39.5103 176.4802 93 E 3.8983 8.7044 119.1470 58.6256 29.3271 179.1006 94 K 3.6494 7.8728 118.9271 60.0100 32.0219 178.6338 95 L 3.2219 7.3435 117.5063 57.6017 41.4415 179.3120 96 T 4.0357 7.6190 109.1302 62.4687 69.4548 173.6105 97 N 4.8219 7.3522 119.6248 51.2717 38.0759 171.8963 98 Y 4.8455 7.8032 117.2738 55.8234 41.5668 174.9742 99 S 4.1390 8.8657 120.3347 58.4790 61.7588 174.6768 100 V 3.8864 8.4182 125.8070 62.9239 30.9712 176.7122 101 T 4.5760 7.6184 108.9488 60.3560 70.5147 173.9779 102 D 4.2838 7.7402 122.0843 54.4135 41.7003 176.2718 103 L 4.1355 8.6142 129.3225 57.9706 42.2903 177.8150 104 N 4.5487 8.4078 116.1211 55.6433 38.8407 177.4192 105 V 3.4989 7.7505 119.5333 65.8309 31.7474 177.7507 106 Q 4.1108 8.1068 116.9452 58.4413 28.4187 178.7071 107 R 3.9948 7.6674 120.2428 59.0166 30.4922 178.0335 108 K 3.7376 8.0056 119.1826 59.7970 31.8509 178.5098 109 A 3.9941 7.6961 119.3563 55.2426 18.4081 179.5031 110 I 3.7970 7.4160 116.6883 64.1203 37.2100 178.0745 111 H 4.3416 8.3145 119.8669 59.2589 29.8170 176.5548 112 E 4.5055 7.9372 118.1616 56.9515 29.0414 178.4779 113 L 3.9574 7.7785 122.1792 57.8390 42.2144 178.6712 114 I 3.7267 7.7054 118.8286 64.9122 37.0198 178.2379 115 Q 4.0099 7.9651 116.4402 58.8605 28.8673 178.7426 116 V 3.7196 7.7665 119.1564 66.2506 31.5478 177.5605 117 M 4.2514 8.6160 116.0138 57.0597 32.0396 176.5258 118 A 4.6003 7.3424 119.0733 52.5282 19.2138 177.3891 119 E 4.5610 8.1436 115.7672 57.1530 32.5471 175.3946 120 L 4.3486 7.8368 116.5304 56.2644 41.0758 176.1089 121 S 4.2918 7.9264 115.4286 56.8742 62.5037 171.0830 122 P 4.0195 0.0000 0.0000 62.9452 30.6028 175.0358 123 A 4.6633 8.2264 125.6770 50.5803 21.0622 176.6526 124 A 4.4392 8.0753 121.9618 51.8003 19.8191 175.8648 125 K 4.4906 7.3942 120.9088 54.9289 33.4027 175.7400 126 T 3.6586 8.0955 117.4393 62.3130 67.7056 171.9912 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 0 M 8.30 4.37 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 1 Q 8.62 3.77 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 2 D 9.43 4.60 0.00 2.77 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 3 P 0.00 4.23 0.00 2.28 2.14 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 4 Y 8.20 4.44 0.00 3.24 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 5 V 6.36 3.00 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 0.17 0.00 0.00 0.77 0.00 0.00 6 K 7.21 3.73 0.00 1.79 1.92 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 7 E 8.09 3.92 0.00 2.13 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 0.00 2.53 2.31 0.00 8 A 8.25 4.08 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 9 E 8.58 3.93 0.00 2.10 1.99 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 2.30 2.48 0.00 10 N 8.33 4.27 0.00 2.92 2.97 0.00 0.00 7.16 6.68 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 11 L 7.96 4.06 0.00 1.97 1.79 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.19 3.90 0.00 2.07 2.08 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.54 7.81 13 K 8.21 3.96 0.00 2.13 1.90 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 14 Y 7.70 4.11 0.00 2.93 3.33 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 15 F 8.83 4.08 0.00 3.07 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 16 N 8.48 4.14 0.00 2.73 2.78 0.00 0.00 7.07 8.62 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 17 A 8.29 4.30 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 18 G 7.81 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 19 H 8.83 4.72 0.00 3.25 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 6.83 3.47 0.00 3.96 3.81 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 21 D 8.50 5.09 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.82 3.46 2.23 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 0.79 0.00 0.00 0.94 0.00 0.00 23 A 7.86 4.11 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 24 D 8.59 4.42 0.00 2.74 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 25 N 8.51 4.15 0.00 2.84 2.87 0.00 0.00 7.17 7.65 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 26 G 8.08 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.98 4.54 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 28 L 7.86 3.73 0.00 0.37 0.65 0.31 0.61 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 29 F 7.13 4.65 0.00 3.03 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.32 3.73 0.00 1.66 1.79 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.92 3.73 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 0.00 0.00 0.00 32 I 7.96 3.81 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 1.14 0.00 0.00 33 L 8.06 4.28 0.00 1.84 1.73 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.96 4.07 0.00 2.03 1.83 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 35 N 7.70 4.34 0.00 1.85 1.91 0.00 0.00 6.75 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 36 W 7.11 4.86 0.00 3.39 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 37 K 8.72 4.47 0.00 1.71 1.84 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.45 7.81 38 E 8.24 4.11 0.00 2.19 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 2.43 2.46 0.00 39 E 9.01 3.89 0.00 2.12 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 2.37 2.45 0.00 40 S 8.08 4.06 0.00 3.89 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 41 D 7.77 4.36 0.00 2.99 2.43 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 42 R 8.17 3.97 0.00 2.19 2.06 0.00 3.17 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 43 K 8.26 4.20 0.00 1.92 1.83 0.00 1.41 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.74 1.51 7.81 44 I 7.80 3.91 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.39 0.91 0.00 0.00 45 M 7.64 4.27 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 46 Q 8.29 3.80 0.00 2.24 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 47 S 7.94 4.13 0.00 4.21 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 48 Q 8.02 4.01 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 49 I 7.50 3.07 1.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.24 0.13 0.00 0.00 50 V 7.89 3.22 1.48 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 -0.10 0.00 0.00 -0.23 0.00 0.00 51 S 8.39 4.36 0.00 4.10 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 0.00 52 F 8.02 3.92 0.00 3.18 2.76 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 53 Y 7.64 3.88 0.00 2.71 2.26 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 54 F 7.79 4.68 0.00 3.16 3.05 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 0.00 0.00 0.00 0.00 55 K 8.39 4.03 0.00 1.63 1.73 0.00 1.44 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.57 7.81 56 L 7.80 3.99 0.00 1.73 1.78 1.15 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.09 4.89 0.00 3.21 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 58 K 8.50 4.27 0.00 2.09 2.03 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 59 N 7.52 4.88 0.00 2.66 2.59 0.00 0.00 6.89 7.33 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 60 F 8.34 4.86 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 61 K 8.14 4.95 0.00 1.95 1.90 0.00 2.01 0.00 0.00 2.61 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.53 7.81 62 D 8.12 4.46 0.00 2.68 2.74 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 0.00 0.00 0.00 0.00 63 D 7.59 4.68 0.00 3.33 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 64 Q 8.62 4.03 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 65 S 8.26 4.14 0.00 4.09 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 0.00 66 I 7.24 4.21 1.52 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.63 -0.33 0.00 0.00 67 Q 8.00 3.90 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 68 K 8.12 3.79 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.54 7.81 69 S 7.80 4.21 0.00 3.95 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 70 V 7.66 3.11 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 0.67 0.00 0.00 0.72 0.00 0.00 71 E 8.25 3.92 0.00 2.30 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 0.00 2.27 2.59 0.00 72 T 7.72 3.87 4.39 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 1.24 0.00 0.00 73 I 7.92 3.83 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.92 0.00 0.00 74 K 7.78 4.11 0.00 2.18 2.02 0.00 1.95 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.92 2.01 7.81 75 E 8.33 3.98 0.00 2.12 1.99 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 2.34 2.41 0.00 76 D 7.75 4.42 0.00 2.89 2.74 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 0.00 0.00 0.00 0.00 77 M 7.99 3.93 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 78 N 8.29 4.52 0.00 3.07 3.21 0.00 0.00 6.77 7.16 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 79 V 8.08 3.73 2.23 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 1.04 0.00 0.00 1.01 0.00 0.00 80 K 7.59 4.24 0.00 1.79 1.77 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.42 7.81 81 F 8.15 4.37 0.00 2.48 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 4.73 0.00 3.35 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 83 N 8.92 4.02 0.00 2.70 2.83 0.00 0.00 7.22 7.63 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 84 S 7.97 3.72 0.00 4.08 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 85 N 8.37 4.80 0.00 2.70 2.92 0.00 0.00 6.81 5.91 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 86 K 8.56 3.82 0.00 1.86 1.82 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.57 7.81 87 K 8.43 3.96 0.00 2.02 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.48 7.81 88 K 8.55 4.08 0.00 2.03 1.70 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 89 R 7.47 2.64 0.00 1.82 1.94 0.00 3.38 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 90 D 7.86 4.36 0.00 2.85 2.68 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 0.00 0.00 0.00 0.00 91 D 8.45 4.23 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.97 4.11 0.00 2.84 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 93 E 8.70 3.90 0.00 2.10 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 2.39 2.21 0.00 94 K 7.87 3.65 0.00 1.92 1.89 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.57 7.81 95 L 7.34 3.22 0.00 1.52 1.48 1.00 0.95 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 96 T 7.62 4.04 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 0.57 0.00 0.00 97 N 7.35 4.82 0.00 2.64 2.75 0.00 0.00 6.73 6.99 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 98 Y 7.80 4.85 0.00 2.78 2.74 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 0.00 0.00 0.00 0.00 99 S 8.87 4.14 0.00 3.87 3.81 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 0.00 100 V 8.42 3.89 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 0.81 0.00 0.00 0.95 0.00 0.00 101 T 7.62 4.58 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 1.21 0.00 0.00 102 D 7.74 4.28 0.00 2.69 2.69 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 0.00 103 L 8.61 4.14 0.00 1.66 1.69 0.91 1.10 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 0.00 104 N 8.41 4.55 0.00 2.97 2.79 0.00 0.00 6.45 7.23 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 0.00 105 V 7.75 3.50 2.27 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 0.99 0.00 0.00 0.77 0.00 0.00 106 Q 8.11 4.11 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 107 R 7.67 3.99 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 108 K 8.01 3.74 0.00 1.88 1.72 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 109 A 7.70 3.99 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 0.00 110 I 7.42 3.80 2.00 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 1.59 0.83 0.91 0.00 0.00 111 H 8.31 4.34 0.00 3.26 3.54 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.94 4.51 0.00 2.10 1.95 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 2.37 2.48 0.00 113 L 7.78 3.96 0.00 1.71 1.59 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.71 3.73 1.84 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 1.62 0.78 0.90 0.00 0.00 115 Q 7.97 4.01 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 116 V 7.77 3.72 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 1.01 0.00 0.00 1.00 0.00 0.00 117 M 8.62 4.25 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 118 A 7.34 4.60 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 0.00 119 E 8.14 4.56 0.00 1.88 1.88 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 2.22 2.29 0.00 120 L 7.84 4.35 0.00 1.79 1.75 0.92 0.60 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 0.00 121 S 7.93 4.29 0.00 3.85 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 0.00 122 P 0.00 4.02 0.00 2.22 2.10 0.00 3.78 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 2.00 2.02 0.00 123 A 8.23 4.66 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 0.00 124 A 8.08 4.44 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 0.00 125 K 7.39 4.49 0.00 1.68 1.68 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.37 7.81 126 T 8.10 3.66 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 1.21 0.00 0.00