NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 D 4.5974 8.3649 120.3124 52.8691 41.0398 175.3830 14 N 4.5173 8.0568 116.7036 52.9827 39.1348 173.9753 15 L 4.2468 8.1852 122.6019 54.2324 43.4153 176.9026 16 S 4.6274 8.4452 115.9009 57.9589 63.7505 174.5324 17 R 4.3756 8.6941 118.1030 59.8785 29.5638 177.9646 18 H 4.4357 8.1598 115.4168 58.9449 29.0904 177.9461 19 D 4.4881 8.2543 118.4083 54.6385 40.1539 178.4622 *21 L 4.3371 8.1239 120.9451 54.9051 43.8739 179.2528 22 A 4.0352 8.2058 120.2983 54.8343 18.1787 179.4882 23 W 4.1320 8.4170 126.8275 60.6517 30.8137 178.2328 24 I 3.2445 7.8617 119.1264 64.4700 36.6602 178.0852 25 N 4.2246 8.3821 117.5971 56.1579 38.4100 177.2547 26 E 3.8728 8.2986 120.8328 59.3755 29.5588 179.0197 27 S 4.0829 7.8002 114.1701 60.5855 62.9050 175.6638 28 L 4.3572 7.2575 117.8901 52.9619 43.1798 176.1558 29 Q 3.3218 7.2908 116.4137 57.1882 26.4604 172.0228 30 L 4.6717 7.5932 116.3437 53.2715 44.7569 176.3510 31 N 5.0891 8.0406 114.7682 52.9438 39.5499 175.4012 32 L 4.2863 8.3186 118.1397 55.1845 42.2914 177.6920 33 T 4.5757 9.2309 111.2498 61.3207 70.5558 174.5076 34 K 4.7224 7.8425 121.3135 53.6995 36.3337 176.9909 35 I 3.8392 8.7574 123.6450 64.8365 37.0474 178.3683 36 E 4.0741 8.4766 118.7325 59.6018 29.1341 179.0396 37 Q 4.1102 8.1197 117.3568 57.9276 28.7301 177.9898 38 L 4.0241 8.1045 120.3639 56.4553 41.3914 178.4146 39 C 4.3478 7.8982 114.6987 60.8255 29.3956 175.4955 40 S 3.6155 7.5857 116.6860 58.8739 62.8220 176.1696 41 G 3.0420 7.9669 110.1008 45.7304 0.0000 175.5206 42 A 3.8536 7.5445 121.7943 55.0206 18.2583 179.4698 43 A 3.6494 7.6111 118.7669 55.4550 18.2124 179.2421 44 Y 4.2229 7.2414 113.4011 61.4666 38.0415 178.1049 45 C 4.4194 7.9255 116.5175 63.2065 28.3464 176.0255 46 Q 4.3622 8.0515 118.2843 58.7425 28.3038 179.5044 47 F 4.6651 8.1407 116.5066 57.9009 38.6840 175.2630 *49 D 4.5495 7.9306 116.0581 54.2974 42.4675 176.8331 *51 L 3.8439 8.0282 118.2894 53.7062 43.5272 177.5618 52 F 4.9720 7.3531 116.5106 54.1588 39.6027 170.8316 53 P 4.6795 0.0000 0.0000 63.5040 31.8362 177.0991 54 G 4.1140 8.4170 109.9688 45.3067 0.0000 174.5685 55 S 4.4014 8.4634 114.2280 59.8416 63.5864 173.9860 56 I 4.6657 7.6097 120.9964 59.3624 40.0659 176.3539 57 A 4.4407 8.3297 128.3188 51.0304 16.7400 177.8206 58 L 4.0977 8.0120 123.5074 56.8686 42.4651 180.2780 59 K 4.1690 8.1237 116.5661 59.1270 32.4760 177.5679 60 K 4.2502 7.8097 117.1233 56.3735 32.7310 176.9707 61 V 3.5926 7.1790 119.9080 62.3469 31.7881 175.6647 62 K 4.1680 8.4199 127.1976 54.7853 31.5381 176.6217 63 F 4.4475 8.3455 124.0612 59.6358 39.5622 176.3688 64 Q 4.7074 7.7652 117.9355 54.5034 29.0085 175.7019 65 A 4.3006 7.8889 119.9729 52.7196 19.3519 178.0080 66 K 4.7152 9.5218 118.8566 55.7290 34.7586 176.6091 67 L 4.5660 7.2986 117.6555 51.6294 45.4734 176.6907 68 E 3.4359 8.5084 121.8159 59.8016 29.4856 179.1213 69 H 4.1515 8.0583 114.3924 58.6876 28.4979 177.3703 70 E 3.8580 7.6095 121.2324 59.2624 29.2356 178.6922 71 Y 4.6691 7.5415 117.6342 60.7545 37.9332 178.6592 72 I 3.8715 8.2080 120.9302 64.5021 37.2402 178.2967 73 Q 3.9654 8.0870 120.1617 59.2092 28.8880 177.9191 74 N 4.2532 8.2722 117.4980 56.5388 38.5321 177.4583 75 F 4.1581 8.4162 119.0712 60.0964 38.9370 177.6986 76 K 3.9710 8.3769 119.8059 59.5174 32.0263 178.8773 77 I 3.7229 7.8621 120.0631 64.2521 36.9594 178.1211 78 L 3.9676 8.0068 121.0598 58.3145 41.8650 178.9106 79 Q 3.8718 8.4212 118.1068 59.0491 28.6144 178.8817 80 A 4.1419 8.2669 121.7822 55.0412 18.1518 179.9915 81 G 3.7123 7.9193 103.3962 48.8468 0.0000 175.5542 82 F 4.5963 8.8291 121.0016 60.3235 38.7640 177.6689 83 K 4.0530 8.2430 117.8723 59.4284 32.0514 179.6400 84 R 4.1150 7.9108 114.8460 56.9282 29.8641 176.7939 *86 G 3.8047 7.8017 103.3154 44.4045 0.0000 173.5307 87 V 3.5533 7.7403 120.0491 62.4726 31.7099 176.0302 88 D 4.5695 8.2887 127.4015 52.5274 39.8194 174.1269 89 K 4.0070 7.8014 122.6894 55.0562 34.6787 174.9287 90 I 3.9854 8.2142 128.3974 60.6314 37.3707 175.6354 91 I 3.7777 8.1147 127.5258 60.1712 38.2294 176.1482 92 P 4.4170 0.0000 0.0000 61.4749 27.8646 176.8290 93 V 2.8131 7.1195 122.7728 66.8344 31.7833 176.5122 94 D 4.3385 7.8761 116.5278 57.2198 40.9823 178.7810 95 K 4.0801 7.7092 118.3126 59.4005 32.3860 179.0935 96 L 3.9247 7.6445 119.1781 57.9202 41.3212 179.9402 97 V 4.1110 7.5348 110.0813 63.4694 31.6039 177.3519 98 K 4.1559 7.9254 118.3570 56.8721 32.0055 177.2767 99 G 3.9194 8.0394 106.9151 46.5006 0.0000 173.9348 100 K 4.5690 7.7502 117.7751 54.6080 34.2257 177.7889 101 F 4.1204 8.8697 123.2764 61.5452 39.4310 177.1312 102 Q 4.0096 8.2953 118.5779 59.6081 28.8937 178.1225 103 D 4.3964 8.0610 119.1674 57.4929 40.9684 178.4238 104 N 4.5342 7.9490 116.7539 56.1596 38.4941 177.3663 105 F 4.2535 8.4963 122.6148 61.0557 39.2708 176.7295 106 E 3.8479 8.3554 119.0806 59.4318 29.3628 178.6964 107 F 4.2758 8.3736 120.8337 61.2967 39.4076 177.4959 108 V 3.9146 8.2808 118.8913 64.8372 31.0419 178.4293 109 Q 3.7782 7.9668 118.8324 58.4380 28.4844 178.4966 110 W 3.9412 7.8668 129.2732 60.4038 30.7586 177.8032 111 F 3.2478 8.3097 120.9066 60.8144 38.7413 176.9529 112 K 3.5325 8.3566 119.6886 59.2505 31.9452 178.8964 113 K 3.6635 7.3415 118.8213 59.1510 31.5487 179.0150 114 F 3.6671 7.2973 120.8516 60.9936 39.0906 176.9071 115 F 3.3015 7.9330 120.4560 61.2335 38.9689 176.7284 116 D 4.2889 8.0388 117.3163 57.2687 40.6571 178.2923 117 A 4.0624 7.4651 119.3377 53.5051 18.6459 177.5750 118 N 4.5327 6.7627 112.0410 52.8481 40.5567 174.7063 119 Y 3.7075 7.4024 120.7850 57.8611 39.1361 175.6328 120 D 4.3399 7.1222 125.2057 53.8954 42.1033 176.1105 121 G 3.7226 5.9223 104.0522 44.3028 0.0000 174.5043 122 K 4.1210 7.1339 118.9204 55.9888 33.4238 176.7454 123 D 4.5886 8.5163 122.2231 55.0821 41.3882 175.4417 124 Y 4.6717 8.3441 122.5835 55.4581 41.9424 174.0860 125 D 4.5633 8.0749 126.6394 52.0472 42.0703 174.8941 126 P 3.9177 0.0000 0.0000 65.1103 31.8295 178.3965 127 V 3.4936 7.5977 117.8174 65.8854 31.6610 177.4589 128 A 3.8803 8.0161 120.2956 55.2675 17.9019 179.3997 129 A 3.9032 7.4771 118.0863 54.8330 18.4584 179.1338 130 R 3.7018 7.3398 114.0740 55.8380 29.6895 176.8048 131 Q 4.2217 7.4154 119.0058 55.9595 29.7972 176.1041 132 G 4.0497 8.6295 106.3894 46.6012 0.0000 173.7419 133 Q 4.1648 7.5826 126.3308 56.0208 29.0182 175.6119 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 13 D 8.36 4.60 0.00 2.75 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 14 N 8.06 4.52 0.00 2.82 2.71 0.00 0.00 7.32 6.97 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 15 L 8.19 4.25 0.00 1.61 1.66 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.45 4.63 0.00 4.12 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 17 R 8.69 4.38 0.00 1.95 1.95 0.00 2.72 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 0.00 18 H 8.16 4.44 0.00 3.28 3.43 0.00 5.62 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 19 D 8.25 4.49 0.00 2.81 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 *21 L 8.12 4.34 0.00 1.96 1.82 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.21 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.42 4.13 0.00 3.42 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 24 I 7.86 3.24 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.68 0.75 0.00 0.00 25 N 8.38 4.22 0.00 2.76 2.89 0.00 0.00 6.75 7.34 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 26 E 8.30 3.87 0.00 2.10 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 0.00 2.31 2.37 0.00 27 S 7.80 4.08 0.00 3.36 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 4.36 0.00 1.29 1.33 -0.45 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.29 3.32 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 30 L 7.59 4.67 0.00 1.63 1.47 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.04 5.09 0.00 2.61 2.73 0.00 0.00 6.89 7.85 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 32 L 8.32 4.29 0.00 1.75 1.60 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.23 4.58 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 34 K 7.84 4.72 0.00 1.81 1.96 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.46 7.81 35 I 8.76 3.84 2.13 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.30 0.95 0.00 0.00 36 E 8.48 4.07 0.00 2.12 2.17 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 2.65 2.68 0.00 37 Q 8.12 4.11 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 38 L 8.10 4.02 0.00 1.90 1.72 1.12 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.90 4.35 0.00 3.21 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 40 S 7.59 3.62 0.00 3.93 3.78 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 41 G 7.97 3.04 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 0.00 0.00 0.00 42 A 7.54 3.85 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 43 A 7.61 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.24 4.22 0.00 3.01 2.93 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 0.00 0.00 0.00 45 C 7.93 4.42 0.00 3.17 3.08 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 0.00 0.00 0.00 0.00 46 Q 8.05 4.36 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.61 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 47 F 8.14 4.67 0.00 3.67 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 *49 D 7.93 4.55 0.00 2.96 2.99 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 0.00 0.00 0.00 *51 L 8.03 3.84 0.00 1.19 0.14 0.47 -0.33 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 F 7.35 4.97 0.00 3.22 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 53 P 0.00 4.68 0.00 2.13 2.13 0.00 3.80 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 54 G 8.42 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 55 S 8.46 4.40 0.00 4.18 4.36 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 56 I 7.61 4.67 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.35 1.05 0.00 0.00 57 A 8.33 4.44 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 58 L 8.01 4.10 0.00 1.84 1.91 1.25 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.12 4.17 0.00 1.88 1.99 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 60 K 7.81 4.25 0.00 1.86 1.85 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.36 7.81 61 V 7.18 3.59 1.57 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 0.34 0.00 0.00 0.90 0.00 0.00 62 K 8.42 4.17 0.00 1.70 1.71 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.30 7.81 63 F 8.35 4.45 0.00 3.04 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 64 Q 7.77 4.71 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 65 A 7.89 4.30 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 66 K 9.52 4.72 0.00 1.65 1.82 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.57 7.81 67 L 7.30 4.57 0.00 1.43 1.38 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.51 3.44 0.00 1.94 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 2.40 2.47 0.00 69 H 8.06 4.15 0.00 3.36 3.49 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.61 3.86 0.00 2.02 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 0.00 2.13 1.79 0.00 71 Y 7.54 4.67 0.00 3.16 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 72 I 8.21 3.87 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.95 0.00 0.00 73 Q 8.09 3.97 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 74 N 8.27 4.25 0.00 2.94 2.62 0.00 0.00 7.05 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.42 4.16 0.00 3.28 2.97 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 76 K 8.38 3.97 0.00 1.96 2.02 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 77 I 7.86 3.72 2.04 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 1.41 0.77 0.93 0.00 0.00 78 L 8.01 3.97 0.00 1.72 1.81 1.15 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.42 3.87 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 80 A 8.27 4.14 1.42 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 0.00 0.00 0.00 81 G 7.92 3.71 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 0.00 0.00 0.00 82 F 8.83 4.60 0.00 3.20 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 83 K 8.24 4.05 0.00 1.81 2.05 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.49 7.81 84 R 7.91 4.12 0.00 2.00 2.12 0.00 3.39 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 *86 G 7.80 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 87 V 7.74 3.55 1.63 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 -0.18 0.00 0.00 0.81 0.00 0.00 88 D 8.29 4.57 0.00 2.64 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 89 K 7.80 4.01 0.00 1.28 1.57 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.30 1.20 7.81 90 I 8.21 3.99 1.79 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 0.61 0.84 0.00 0.00 91 I 8.11 3.78 1.63 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.43 0.15 0.00 0.00 92 P 0.00 4.42 0.00 2.10 2.08 0.00 3.11 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 1.78 1.91 0.00 93 V 7.12 2.81 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 0.89 0.00 0.00 0.71 0.00 0.00 94 D 7.88 4.34 0.00 2.61 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 95 K 7.71 4.08 0.00 1.84 1.96 0.00 1.62 0.00 0.00 1.94 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.46 7.81 96 L 7.64 3.92 0.00 1.06 1.52 -0.11 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.53 4.11 2.36 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 0.85 0.00 0.00 1.06 0.00 0.00 98 K 7.93 4.16 0.00 1.93 1.90 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.54 7.81 99 G 8.04 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 0.00 100 K 7.75 4.57 0.00 1.85 1.80 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.39 7.81 101 F 8.87 4.12 0.00 3.35 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 0.00 102 Q 8.30 4.01 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 103 D 8.06 4.40 0.00 2.74 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 0.00 104 N 7.95 4.53 0.00 2.92 2.96 0.00 0.00 6.67 7.80 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 0.00 105 F 8.50 4.25 0.00 1.88 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 0.00 106 E 8.36 3.85 0.00 2.22 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 2.37 2.36 0.00 107 F 8.37 4.28 0.00 3.22 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 0.00 108 V 8.28 3.91 2.44 0.00 0.00 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 0.00 0.00 1.29 0.00 0.00 109 Q 7.97 3.78 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 110 W 7.87 3.94 0.00 3.32 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 0.00 111 F 8.31 3.25 0.00 2.93 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 0.00 112 K 8.36 3.53 0.00 1.34 1.36 0.00 0.71 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.73 0.21 7.81 113 K 7.34 3.66 0.00 1.57 1.58 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.34 7.81 114 F 7.30 3.67 0.00 1.55 1.90 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 0.00 115 F 7.93 3.30 0.00 2.99 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 0.00 116 D 8.04 4.29 0.00 2.63 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 A 7.47 4.06 1.18 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 0.00 0.00 118 N 6.76 4.53 0.00 1.93 2.32 0.00 0.00 6.91 7.12 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 0.00 119 Y 7.40 3.71 0.00 2.49 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 0.00 120 D 7.12 4.34 0.00 2.35 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 0.00 121 G 5.92 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 0.00 0.00 0.00 122 K 7.13 4.12 0.00 1.86 1.74 0.00 1.51 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.42 7.81 123 D 8.52 4.59 0.00 2.74 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 0.00 124 Y 8.34 4.67 0.00 2.86 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 0.00 125 D 8.07 4.56 0.00 2.60 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 0.00 0.00 0.00 0.00 126 P 0.00 3.92 0.00 2.30 2.30 0.00 3.70 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 1.88 2.18 0.00 127 V 7.60 3.49 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 0.93 0.00 0.00 0.82 0.00 0.00 128 A 8.02 3.88 1.26 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 0.00 129 A 7.48 3.90 1.19 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 0.00 0.00 0.00 0.00 0.00 130 R 7.34 3.70 0.00 1.56 1.41 0.00 2.48 0.00 0.00 2.82 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 131 Q 7.42 4.22 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.12 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 132 G 8.63 4.05 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 0.00 0.00 0.00 133 Q 7.58 4.16 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.49 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.