NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3833 8.2931 120.3445 56.8890 33.8562 175.4354 2 G 3.6787 8.5465 113.6294 46.1011 0.0000 170.1208 3 H 4.9801 8.7439 118.3629 55.4450 30.4635 173.1741 4 H 4.4974 8.3064 113.3770 55.9501 30.1547 173.5400 5 H 5.1205 8.2698 119.4075 56.5725 31.8729 173.1960 6 H 4.6197 9.1765 124.7120 54.4510 29.9943 172.5279 7 H 4.3892 8.1336 124.6468 55.0321 28.1648 172.0844 8 H 4.4207 8.1281 120.6926 54.5292 29.9064 175.0414 9 S 4.5824 8.2473 124.5884 56.9967 62.5635 172.8192 10 H 4.8562 8.3758 124.1236 54.2304 32.2368 172.5159 11 M 4.5389 8.0956 121.8620 54.1819 32.9244 173.6682 12 A 4.1932 7.8799 125.3552 53.3743 19.4828 177.0319 13 Q 4.5045 7.4602 113.9507 53.7715 33.3554 174.9511 14 F 4.5860 8.6502 122.9633 55.9579 39.2564 173.3438 15 P 4.3122 0.0000 0.0000 61.8553 32.2229 176.3980 16 T 3.9053 8.1438 112.5068 60.0811 68.1244 172.3552 17 P 4.5038 0.0000 0.0000 62.6379 32.2760 176.0220 18 F 3.7640 7.9511 116.1257 58.0309 35.4950 175.5690 19 G 4.2358 7.6762 105.9812 44.6603 0.0000 174.2800 20 G 4.1264 8.0806 105.6414 45.9532 0.0000 174.7275 21 S 4.6102 7.7139 109.7203 57.8331 64.9369 175.0956 22 L 4.5013 7.4893 122.9112 55.1173 42.8156 176.3205 23 D 5.0176 7.6284 118.4143 52.8149 40.0475 178.4669 24 T 3.5908 8.2499 117.5522 67.4750 68.4308 175.9175 25 W 4.7492 8.0256 116.9965 56.0562 29.8075 175.1366 26 A 4.8994 7.5492 119.9315 50.3404 21.3328 176.9951 27 I 4.1367 8.1906 121.7779 60.2236 37.2922 176.9315 28 T 4.2978 8.1448 116.9644 60.8972 71.1446 175.6899 29 V 3.6445 8.2160 120.9447 64.5704 31.3996 178.3378 30 E 4.1323 8.1498 119.2459 59.6216 29.5869 178.8646 31 E 4.0715 8.1172 118.0982 59.2527 29.3040 179.1029 32 R 3.8618 8.0176 118.1180 59.4695 30.5046 178.1588 33 A 4.0976 7.9896 120.4438 54.9785 18.4818 179.6844 34 K 3.7750 8.4738 117.6772 59.7387 32.0653 179.1319 35 H 4.3375 8.0690 115.0021 58.5827 28.1739 177.3100 36 D 4.5845 8.1019 120.6064 57.3236 40.9993 177.9787 37 Q 3.9908 8.0502 119.6643 59.3536 28.9393 178.0197 38 Q 4.0993 8.2260 118.2321 58.8429 29.1862 178.0020 39 F 3.9191 8.5886 121.8728 61.3182 39.1325 176.5567 40 H 3.8441 8.1958 117.2791 59.3993 29.5352 177.1105 41 S 4.3752 7.8109 115.9069 60.5005 62.5872 175.7730 42 L 3.9407 7.0841 120.0504 54.2752 42.5156 176.4901 43 K 3.5958 7.2263 116.6145 56.3570 29.4505 174.0112 44 P 4.0070 0.0000 0.0000 62.6862 32.3252 177.4241 45 I 3.6053 7.8020 124.7179 64.0112 37.4873 178.1316 46 S 4.4965 6.4450 113.4668 57.6551 63.4850 175.0252 47 G 4.1087 9.1439 106.9071 45.2528 0.0000 172.5512 48 F 5.3770 7.2979 113.4470 55.1736 41.2448 173.6351 49 I 4.4891 8.2451 114.8199 60.0925 39.9790 174.4284 50 T 5.0313 7.3216 113.3057 60.8789 71.5108 175.1535 51 G 3.4625 9.1361 110.6932 47.4294 0.0000 175.5580 52 D 4.0708 7.7896 120.0486 57.2679 41.2665 178.0858 53 Q 3.8493 7.8116 117.9304 58.3300 28.8954 178.0352 54 A 3.4039 7.9942 122.5999 55.0487 18.4596 179.8658 55 R 3.8284 7.3841 114.3784 59.2289 29.2063 178.5316 56 N 4.1907 7.5092 117.3562 56.3947 38.8055 176.5060 57 F 3.9333 7.8511 120.5455 61.5082 39.7693 176.7941 58 F 4.8131 7.7935 117.0578 60.6019 38.7069 177.5285 59 F 4.1476 8.5141 120.4396 61.3771 39.0510 176.9961 60 Q 4.0073 8.3000 117.8737 58.6210 28.8907 177.5173 61 S 4.2690 7.4031 114.0690 59.1185 63.0418 174.4624 62 G 3.8580 8.0250 110.2857 45.6997 0.0000 173.3188 63 L 4.7009 7.2515 117.7384 51.5902 44.3659 175.6893 64 P 4.4390 0.0000 0.0000 62.2374 33.3388 177.5599 65 Q 4.2942 8.9447 121.5308 59.0712 29.1023 176.8876 66 P 4.3264 0.0000 0.0000 66.1476 30.9803 178.4708 67 V 3.6166 7.8113 117.3944 65.4750 31.6118 177.4417 68 L 4.1301 8.6245 120.3064 58.4390 42.1115 178.8824 69 A 4.2975 8.8376 120.9123 55.2176 18.1656 179.4505 70 Q 4.0043 8.2015 118.2093 59.4040 29.1655 178.4224 71 I 3.7784 8.2154 121.1737 64.1843 36.8171 178.2466 72 W 4.5879 8.6525 129.0460 60.5583 30.4068 177.7238 73 A 3.8389 7.9942 118.5833 54.0149 17.8707 178.6210 74 L 4.3325 7.4689 115.9351 56.8615 42.3073 177.8798 75 A 4.4001 8.0054 121.4619 52.9568 18.9069 178.0993 76 D 4.6385 7.9801 125.5950 51.7438 39.5934 176.8076 77 M 3.9328 8.5522 126.7087 58.8521 32.1996 177.7257 78 N 4.3262 8.0976 114.4794 53.8759 39.7858 173.7908 79 N 4.7577 8.0080 114.2871 54.0237 36.7991 172.7343 80 D 4.3882 7.9944 119.0997 54.3333 42.5004 177.8983 81 G 4.3476 8.6527 107.0694 45.6215 0.0000 175.2007 82 R 4.0853 7.8485 117.1302 56.7171 30.9929 173.3042 83 M 3.3330 8.1740 120.7002 55.5622 30.0307 175.9140 84 D 4.6524 8.4611 123.8292 53.2741 43.5929 176.1185 85 Q 3.9645 8.2803 120.9966 58.3284 28.8469 179.2029 86 V 3.6938 7.6277 119.3820 66.0797 31.7789 177.6048 87 E 4.0379 8.1992 117.7888 59.5099 29.3534 179.0626 88 F 4.3608 8.7893 120.9929 61.2994 39.1477 177.0781 89 S 3.9702 7.7655 111.7544 60.6336 61.9689 175.0673 90 I 4.0676 7.5100 119.8021 62.2734 38.3087 177.2127 91 A 3.8426 7.9326 122.2978 54.9797 17.8027 179.3778 92 M 3.7006 7.7541 115.9298 58.2084 30.9615 178.7256 93 K 3.5948 7.4060 120.1937 58.7745 32.2615 178.9018 94 L 3.8524 7.5741 119.7371 57.6338 41.5245 179.2734 95 I 3.5950 7.4522 119.1988 64.2774 36.8822 178.2163 96 K 3.8958 7.2092 118.5695 59.3917 32.3265 178.2812 97 L 3.9455 8.0657 120.9408 58.1488 42.0214 179.1390 98 K 4.3286 8.6798 118.6314 59.0913 31.8031 178.7957 99 L 4.2723 7.8273 117.4164 56.1851 41.7240 178.0473 100 Q 4.3971 7.8692 117.3226 55.3185 30.3724 175.4580 101 G 3.7949 9.0251 108.0165 45.8929 0.0000 171.2928 102 Y 4.7881 7.1329 114.5786 57.0532 42.8502 174.4307 103 Q 4.7706 8.5738 117.5231 55.8505 31.1666 173.1836 104 L 4.5508 7.9255 116.9602 54.3151 43.1734 173.6591 105 P 4.6014 0.0000 0.0000 62.1099 32.7573 177.0391 106 S 4.5178 8.5589 112.8371 58.9397 63.2000 173.3677 107 A 4.6372 7.3475 123.1541 50.3622 20.6879 176.4292 108 L 4.2860 8.3396 123.1525 53.5534 42.9366 175.4564 109 P 4.3569 0.0000 0.0000 61.7815 32.0603 176.1181 110 P 4.3135 0.0000 0.0000 65.4470 30.9395 179.2824 111 V 3.6665 7.6760 116.2938 65.8214 31.5796 177.0612 112 M 4.2929 7.9256 117.1383 57.7649 32.1768 178.0880 113 K 4.0375 7.8171 117.8588 58.4502 32.5278 177.8449 114 Q 4.0700 8.5338 119.7533 55.7052 28.2819 173.0842 115 Q 4.4342 7.5014 117.7455 53.1391 29.2271 172.2760 116 P 4.4002 0.0000 0.0000 62.1246 32.1659 177.0710 117 V 4.0984 8.1061 115.5044 60.6196 32.7887 175.1707 118 A 4.5651 8.2423 122.8963 52.8705 19.1873 178.9062 119 I 4.3019 7.4739 122.5812 61.5478 36.1402 174.9851 120 S 4.6280 8.1074 116.7881 59.5422 68.2822 174.5521 121 S 4.1617 7.7882 118.7314 58.8915 63.6764 173.8578 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 4.38 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 G 8.55 3.68 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 0.00 0.00 0.00 3 H 8.74 4.98 0.00 3.30 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.31 4.50 0.00 3.22 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.27 5.12 0.00 2.98 3.10 0.00 5.49 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 6 H 9.18 4.62 0.00 3.07 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.13 4.39 0.00 3.17 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.13 4.42 0.00 3.12 3.23 0.00 5.94 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.25 4.58 0.00 3.82 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 10 H 8.38 4.86 0.00 3.02 3.22 0.00 5.77 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 11 M 8.10 4.54 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 12 A 7.88 4.19 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 13 Q 7.46 4.50 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 14 F 8.65 4.59 0.00 2.94 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 15 P 0.00 4.31 0.00 2.01 1.91 0.00 3.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 16 T 8.14 3.91 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 1.23 0.00 0.00 17 P 0.00 4.50 0.00 2.17 2.14 0.00 3.65 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 18 F 7.95 3.76 0.00 3.15 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 19 G 7.68 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 0.00 0.00 0.00 20 G 8.08 4.13 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 0.00 0.00 0.00 21 S 7.71 4.61 0.00 3.82 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 22 L 7.49 4.50 0.00 1.75 1.66 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.63 5.02 0.00 2.96 2.80 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 24 T 8.25 3.59 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 0.46 0.00 0.00 25 W 8.03 4.75 0.00 3.22 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 26 A 7.55 4.90 1.21 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 0.00 0.00 27 I 8.19 4.14 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 1.46 0.72 0.92 0.00 0.00 28 T 8.14 4.30 4.43 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 1.21 0.00 0.00 29 V 8.22 3.64 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 0.80 0.00 0.00 0.96 0.00 0.00 30 E 8.15 4.13 0.00 2.17 2.38 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 2.26 2.42 0.00 31 E 8.12 4.07 0.00 2.10 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 2.43 2.28 0.00 32 R 8.02 3.86 0.00 1.89 2.14 0.00 3.37 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 33 A 7.99 4.10 1.43 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 0.00 0.00 34 K 8.47 3.77 0.00 1.87 1.79 0.00 1.45 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.45 7.81 35 H 8.07 4.34 0.00 3.49 3.54 0.00 5.28 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.10 4.58 0.00 2.97 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 37 Q 8.05 3.99 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 38 Q 8.23 4.10 0.00 2.59 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.76 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 39 F 8.59 3.92 0.00 3.19 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 40 H 8.20 3.84 0.00 3.34 3.49 0.00 6.00 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 41 S 7.81 4.38 0.00 4.13 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 42 L 7.08 3.94 0.00 1.31 1.29 -0.30 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.23 3.60 0.00 1.80 1.71 0.00 1.66 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 1.30 1.54 7.81 44 P 0.00 4.01 0.00 1.61 1.37 0.00 3.27 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.00 45 I 7.80 3.61 0.87 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.09 0.71 0.00 0.00 46 S 6.44 4.50 0.00 4.12 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 47 G 9.14 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.30 5.38 0.00 3.13 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 49 I 8.25 4.49 1.78 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 1.62 1.11 0.66 0.00 0.00 50 T 7.32 5.03 4.35 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 1.21 0.00 0.00 51 G 9.14 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 0.00 0.00 0.00 0.00 52 D 7.79 4.07 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 3.85 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 54 A 7.99 3.40 1.14 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 0.00 0.00 55 R 7.38 3.83 0.00 1.90 1.79 0.00 2.55 0.00 0.00 2.79 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 56 N 7.51 4.19 0.00 2.82 2.94 0.00 0.00 6.71 7.35 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 57 F 7.85 3.93 0.00 2.88 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 58 F 7.79 4.81 0.00 3.31 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 59 F 8.51 4.15 0.00 3.31 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 60 Q 8.30 4.01 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.24 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 61 S 7.40 4.27 0.00 4.06 3.86 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 62 G 8.02 3.86 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 0.00 0.00 0.00 63 L 7.25 4.70 0.00 1.80 1.61 0.96 1.10 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 64 P 0.00 4.44 0.00 2.21 2.00 0.00 3.62 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 2.13 2.13 0.00 65 Q 8.94 4.29 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 66 P 0.00 4.33 0.00 2.36 2.37 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 67 V 7.81 3.62 2.32 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 1.12 0.00 0.00 0.98 0.00 0.00 68 L 8.62 4.13 0.00 2.06 2.14 1.02 1.47 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 69 A 8.84 4.30 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 70 Q 8.20 4.00 0.00 2.45 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 71 I 8.22 3.78 2.15 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 1.40 0.62 0.73 0.00 0.00 72 W 8.65 4.59 0.00 3.57 3.38 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 73 A 7.99 3.84 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 74 L 7.47 4.33 0.00 1.92 1.78 1.10 1.38 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 75 A 8.01 4.40 1.58 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 0.00 0.00 76 D 7.98 4.64 0.00 3.02 2.96 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 77 M 8.55 3.93 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 78 N 8.10 4.33 0.00 2.63 2.81 0.00 0.00 7.09 7.75 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 79 N 8.01 4.76 0.00 2.62 2.65 0.00 0.00 6.82 7.75 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 80 D 7.99 4.39 0.00 2.83 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 81 G 8.65 4.35 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 0.00 82 R 7.85 4.09 0.00 2.22 2.09 0.00 3.60 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 83 M 8.17 3.33 0.00 2.36 2.43 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.77 0.00 84 D 8.46 4.65 0.00 2.74 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 85 Q 8.28 3.96 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.79 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 86 V 7.63 3.69 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 1.10 0.00 0.00 1.03 0.00 0.00 87 E 8.20 4.04 0.00 2.35 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 2.50 2.51 0.00 88 F 8.79 4.36 0.00 3.16 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 89 S 7.77 3.97 0.00 4.07 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.51 4.07 1.88 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 1.59 1.26 0.96 0.00 0.00 91 A 7.93 3.84 1.46 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 0.00 0.00 0.00 92 M 7.75 3.70 0.00 1.01 2.01 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 93 K 7.41 3.59 0.00 1.54 1.70 0.00 1.54 0.00 0.00 1.48 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.53 7.81 94 L 7.57 3.85 0.00 1.89 1.59 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.45 3.60 1.83 0.00 0.00 -0.04 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 0.40 0.96 0.00 0.00 96 K 7.21 3.90 0.00 1.62 1.91 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 97 L 8.07 3.95 0.00 1.57 1.56 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.68 4.33 0.00 1.84 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.71 7.81 99 L 7.83 4.27 0.00 1.86 1.72 0.94 0.86 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 0.00 100 Q 7.87 4.40 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.05 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 101 G 9.03 3.79 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 0.00 0.00 0.00 102 Y 7.13 4.79 0.00 3.11 2.84 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 0.00 103 Q 8.57 4.77 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 104 L 7.93 4.55 0.00 1.84 2.02 1.23 0.81 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 0.00 105 P 0.00 4.60 0.00 2.17 2.04 0.00 3.53 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 106 S 8.56 4.52 0.00 3.96 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 0.00 107 A 7.35 4.64 1.20 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 0.00 0.00 108 L 8.34 4.29 0.00 1.66 1.65 1.04 1.19 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 0.00 109 P 0.00 4.36 0.00 2.08 1.72 0.00 3.63 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 110 P 0.00 4.31 0.00 2.13 2.08 0.00 3.53 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 2.07 2.10 0.00 111 V 7.68 3.67 2.33 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 0.86 0.00 0.00 0.94 0.00 0.00 112 M 7.93 4.29 0.00 2.24 2.38 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 2.70 2.64 0.00 113 K 7.82 4.04 0.00 1.84 1.85 0.00 1.91 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.46 7.81 114 Q 8.53 4.07 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 115 Q 7.50 4.43 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 116 P 0.00 4.40 0.00 2.07 1.95 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 117 V 8.11 4.10 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 0.76 0.00 0.00 0.91 0.00 0.00 118 A 8.24 4.57 1.25 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 0.00 0.00 119 I 7.47 4.30 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.89 0.00 0.00 120 S 8.11 4.63 0.00 3.78 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 0.00 121 S 7.79 4.16 0.00 3.79 3.67 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