NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3542 8.3001 120.3203 54.7195 33.2452 178.9187 2 A 3.9020 8.9583 127.8351 52.0270 18.9440 175.8808 3 K 4.4675 8.1134 122.4153 54.3410 34.6029 174.9553 4 Q 4.1802 8.3969 124.0091 56.5817 29.2335 175.2853 5 S 4.6094 7.7028 112.7541 57.5772 65.6365 171.9366 6 L 4.2820 8.1380 131.2612 55.4571 46.1083 173.8214 7 D 4.7189 8.2035 117.7033 52.8711 42.0607 176.6355 8 V 4.1851 8.1429 127.7407 60.8479 30.4624 172.7477 9 S 4.6401 7.8088 116.5211 55.9291 64.8490 173.6917 10 S 4.0749 8.6208 120.7238 59.4419 62.1145 173.4756 11 D 4.9351 7.2670 123.8000 53.2545 43.3900 177.5283 12 R 4.1110 7.8658 123.3211 58.3623 29.8472 178.6284 13 R 3.9505 8.1490 118.5043 59.6480 29.8615 178.0255 14 K 3.9292 7.8600 118.6881 59.3993 32.1414 178.6932 15 A 3.5908 7.8768 120.6529 55.0079 18.4875 179.4205 16 R 4.2810 7.9913 115.4775 58.5717 30.1367 179.0918 17 K 4.1491 7.7326 118.1951 58.8133 31.7895 179.1933 18 A 4.0124 7.1960 120.4261 55.3177 18.4479 178.9930 19 Y 4.1194 7.2863 113.7190 60.5131 37.9292 177.1953 20 F 4.9267 8.0516 115.1078 57.4445 41.6632 175.4519 21 T 4.4499 7.5467 115.9159 63.0540 70.1586 173.2800 22 A 3.4452 8.4776 126.3428 51.2205 14.7930 174.9427 23 P 4.3366 0.0000 0.0000 62.8528 32.1813 179.5502 24 S 3.7005 7.4464 112.7818 61.8348 63.1765 175.7881 25 S 4.7518 7.9278 111.4090 58.4763 62.8135 174.5032 26 Q 4.5849 8.2477 117.2654 55.7708 29.9054 176.0181 27 R 4.5038 7.6419 116.2387 56.0293 30.3911 178.3117 28 R 3.8753 7.9338 120.5497 59.4086 30.4007 178.7984 29 V 3.6228 7.8756 116.0967 65.4257 31.5937 176.2863 30 L 4.4084 7.6882 115.8943 54.7223 42.2097 176.3779 31 L 4.8114 7.6497 117.8903 54.0928 43.3915 176.5485 32 S 4.6606 7.7366 113.3778 58.5613 63.7336 173.7238 33 A 4.8337 8.4425 123.3349 49.6567 23.0484 173.7791 34 P 4.5818 0.0000 0.0000 62.5838 33.0240 176.1824 35 L 4.8209 8.2996 122.8576 53.2343 42.7420 178.8229 36 S 4.9432 8.5315 123.3595 58.1599 62.0934 176.7832 37 K 4.5795 8.5435 114.3560 55.8557 34.0968 178.3194 38 E 4.0552 8.3771 119.4627 58.7511 29.5764 177.9503 39 L 4.6085 7.5469 116.3794 54.9443 42.3607 178.8715 40 R 4.0234 7.8577 118.8849 59.1237 29.9311 178.4451 41 A 3.9758 7.4053 118.4765 55.0507 18.4272 179.1621 42 Q 3.8051 7.4816 115.8104 58.7216 29.2290 176.5818 43 Y 4.5185 7.2870 113.1677 57.0830 39.3801 176.7822 44 G 4.0711 8.2262 107.8924 45.8019 0.0000 174.0113 45 I 4.5530 6.9331 122.8620 60.2070 36.0096 174.9297 46 K 4.4568 8.5886 132.8015 57.6533 37.4010 173.0802 47 A 4.9977 7.9863 118.1062 50.6279 22.8378 174.8021 48 L 4.7230 8.3911 120.3438 52.6201 45.9528 173.4945 49 P 4.4155 0.0000 0.0000 62.8294 31.7301 176.2039 50 I 3.8416 7.8663 123.2778 61.6596 37.9197 175.5578 51 R 4.5472 8.3335 123.9911 54.5275 32.2003 176.6767 52 R 4.1016 8.3482 120.1506 57.4723 30.3471 176.3714 53 D 4.7582 7.6616 114.8468 54.4818 41.9784 176.0855 54 D 4.5993 7.5978 119.8458 54.4113 42.3854 174.9874 55 E 4.9412 8.6252 120.8354 54.7318 31.9992 175.3474 56 V 4.8056 8.5096 122.7026 61.1567 35.6564 173.4996 57 L 5.5383 8.5275 126.3027 53.1112 43.5964 175.2916 58 V 4.2456 8.2929 120.5841 62.3139 32.1160 175.3568 59 V 4.3333 8.3673 126.0643 63.3742 33.7325 175.8339 60 R 4.6712 8.0707 116.7710 54.8264 33.4625 174.2840 61 G 3.8126 8.2120 104.8316 44.6592 0.0000 174.2843 62 S 4.6923 8.6753 116.5727 58.0991 64.0554 174.1231 63 K 4.6674 7.5818 118.9407 55.7283 32.4126 176.2936 64 K 4.4214 7.9826 114.2339 56.6258 33.2527 178.1074 65 G 4.3041 7.5846 106.7345 45.8950 0.0000 172.1074 66 Q 4.7699 8.2308 123.4153 54.9429 32.2425 174.0702 67 E 5.0026 9.7819 121.3630 54.2663 32.2990 174.9716 68 G 4.3625 7.5222 112.2408 44.4321 0.0000 172.5710 69 K 4.5564 7.7868 120.5084 55.8966 33.6102 176.0826 70 I 4.4578 8.1086 123.9577 60.7579 37.2173 176.1267 71 S 4.3088 8.4604 123.2809 61.3248 63.7024 174.5130 72 S 4.6227 7.6999 112.6136 57.0889 65.5452 173.5738 73 V 4.6006 7.5471 122.1722 60.5609 34.1805 172.9539 74 Y 4.8273 8.2461 120.0796 56.2441 40.4250 177.1061 75 R 4.0170 8.9224 120.4242 59.3064 30.2144 178.0726 76 L 4.0285 8.1065 117.5045 56.9916 41.6654 177.8069 77 K 3.8928 8.0564 116.2726 55.3942 33.0810 175.4216 78 F 4.0468 7.7258 112.8459 57.9680 37.0198 175.4039 79 A 4.9602 7.6882 119.7825 51.3552 23.1584 176.2748 80 V 4.3982 8.5078 121.7043 61.1657 33.6789 174.1749 81 Q 4.8756 8.7422 129.5592 54.1754 30.6373 174.2232 82 V 4.4084 8.3759 125.6120 61.0892 34.2785 174.0503 83 D 4.8852 8.5715 127.9908 53.2688 41.7803 175.8482 84 K 4.2581 9.0336 124.2525 57.4499 34.1060 175.8455 85 V 2.9511 8.2794 112.7998 61.5129 28.8096 176.1947 86 T 3.2367 8.2687 119.0657 62.4125 67.2273 170.5701 87 K 4.8343 7.8155 123.2075 56.1477 34.3157 173.9817 88 E 4.4621 8.8138 125.9131 55.7683 31.3921 175.9090 89 K 4.6705 8.5898 120.0990 54.8512 34.7788 178.0530 90 V 3.7918 8.4786 114.6432 63.4004 31.7666 177.0392 91 N 4.5733 7.8990 115.3682 52.4226 37.8556 175.5276 92 G 4.0267 7.8888 107.1033 45.0914 0.0000 173.4411 93 A 4.2225 8.1801 123.3495 51.7743 19.0440 177.3288 94 S 4.9394 8.5975 116.4308 56.8727 66.0013 173.0476 95 V 4.3962 8.1745 116.2767 59.3497 34.9966 173.8395 96 P 4.2446 0.0000 0.0000 63.1681 31.9542 172.9603 97 I 3.2297 7.7650 130.1325 60.9822 35.7020 172.4109 98 N 5.4034 8.4198 121.1130 50.6800 42.6288 173.4599 99 L 4.7863 8.2267 119.0101 54.1864 47.2226 173.7747 100 H 5.1455 8.5663 118.5025 54.0001 31.9033 173.4301 101 P 4.2546 0.0000 0.0000 65.2919 31.3859 177.3239 102 S 4.6043 7.9945 111.7398 58.4460 63.0423 174.3060 103 K 4.5426 8.0052 119.0956 55.9352 32.1753 175.1777 104 L 5.2913 7.5731 117.7775 52.9657 46.0283 175.8733 105 V 4.5713 8.2827 118.9623 61.2742 35.0947 173.8806 106 I 4.5465 8.2931 121.5606 60.5166 38.4083 174.8904 107 T 4.4069 8.5360 116.2759 63.0332 69.8379 174.7859 108 K 4.7630 7.9171 122.0704 53.6444 35.6265 175.0546 109 L 5.2025 8.5340 122.3682 53.6346 44.5541 175.5721 110 H 4.9263 8.4406 116.1641 55.6050 30.8380 173.4114 111 L 4.0141 7.9896 117.0954 55.6057 40.2678 175.7722 112 D 4.8709 8.0412 119.5646 52.0905 43.7402 177.3534 113 K 3.9806 8.6850 120.3979 59.6170 31.8650 177.1792 114 D 4.9033 7.8178 114.9840 53.7951 42.2290 177.4669 115 R 3.7379 8.1158 122.3979 59.2543 30.3823 178.6246 116 K 3.6909 7.5260 116.4873 58.6432 33.5380 179.0063 117 A 3.9530 7.9103 122.1171 55.2102 18.1204 179.4012 118 L 3.9569 7.2144 115.9918 57.9363 41.7740 179.5436 119 I 3.8454 7.0332 118.4120 64.4363 37.1345 178.0341 120 Q 4.3127 7.8487 119.2873 58.1917 29.6313 177.0244 121 R 4.1214 7.5066 119.5090 55.5213 29.1800 175.1524 122 K 4.4639 8.2936 127.7170 56.8444 32.9988 176.2419 123 G 3.9151 7.6968 100.6565 42.8387 0.0000 177.5613 124 G 3.7847 8.6557 112.1847 45.2117 0.0000 171.6897 125 K 3.8659 8.3610 115.3311 56.8341 30.1682 177.9572 126 L 4.6194 7.3753 117.6018 53.5553 43.7664 176.4931 127 E 4.2723 8.2743 121.3167 56.2521 30.2837 175.9844 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 8.30 4.35 0.00 1.96 1.27 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 2 A 8.96 3.90 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 3 K 8.11 4.47 0.00 1.71 1.70 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.40 7.81 4 Q 8.40 4.18 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 5 S 7.70 4.61 0.00 3.79 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 6 L 8.14 4.28 0.00 1.56 1.58 0.92 1.16 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 7 D 8.20 4.72 0.00 2.67 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 8 V 8.14 4.19 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 9 S 7.81 4.64 0.00 3.86 3.75 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 10 S 8.62 4.07 0.00 3.83 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 11 D 7.27 4.94 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.87 4.11 0.00 2.01 1.95 0.00 3.38 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 13 R 8.15 3.95 0.00 2.01 1.98 0.00 3.25 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 14 K 7.86 3.93 0.00 1.91 1.96 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 15 A 7.88 3.59 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 16 R 7.99 4.28 0.00 2.23 2.33 0.00 3.26 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 17 K 7.73 4.15 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 18 A 7.20 4.01 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 19 Y 7.29 4.12 0.00 2.22 1.71 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 20 F 8.05 4.93 0.00 3.25 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 21 T 7.55 4.45 4.49 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 1.26 0.00 0.00 22 A 8.48 3.45 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.21 2.11 0.00 3.66 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 2.16 2.19 0.00 24 S 7.45 3.70 0.00 3.94 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 25 S 7.93 4.75 0.00 3.85 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 26 Q 8.25 4.58 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 27 R 7.64 4.50 0.00 2.05 2.02 0.00 3.59 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 28 R 7.93 3.88 0.00 1.84 2.02 0.00 3.17 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 29 V 7.88 3.62 2.21 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 0.83 0.00 0.00 0.93 0.00 0.00 30 L 7.69 4.41 0.00 1.69 1.43 1.02 0.76 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 L 7.65 4.81 0.00 1.63 1.61 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.74 4.66 0.00 3.90 3.99 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 33 A 8.44 4.83 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 34 P 0.00 4.58 0.00 2.13 2.18 0.00 3.85 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 2.07 1.99 0.00 35 L 8.30 4.82 0.00 1.70 1.71 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.53 4.94 0.00 3.98 3.40 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 37 K 8.54 4.58 0.00 1.86 2.02 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.37 7.81 38 E 8.38 4.06 0.00 2.08 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 0.00 2.39 2.45 0.00 39 L 7.55 4.61 0.00 1.79 1.86 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.86 4.02 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 41 A 7.41 3.98 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 42 Q 7.48 3.81 0.00 2.02 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 1.21 2.00 0.00 43 Y 7.29 4.52 0.00 3.20 2.95 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 44 G 8.23 4.07 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 0.00 0.00 0.00 45 I 6.93 4.55 1.91 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 1.35 0.75 0.94 0.00 0.00 46 K 8.59 4.46 0.00 1.78 1.71 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.33 7.81 47 A 7.99 5.00 1.17 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 0.00 0.00 48 L 8.39 4.72 0.00 1.65 1.42 0.82 0.91 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 49 P 0.00 4.42 0.00 2.09 2.17 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 50 I 7.87 3.84 1.84 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 1.09 0.58 0.88 0.00 0.00 51 R 8.33 4.55 0.00 1.89 1.92 0.00 3.13 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 52 R 8.35 4.10 0.00 1.76 1.87 0.00 3.19 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 53 D 7.66 4.76 0.00 2.34 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 0.00 0.00 0.00 0.00 54 D 7.60 4.60 0.00 2.86 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 55 E 8.63 4.94 0.00 1.89 1.82 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 2.21 2.21 0.00 56 V 8.51 4.81 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 1.00 0.00 0.00 0.92 0.00 0.00 57 L 8.53 5.54 0.00 1.90 1.72 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.29 4.25 2.20 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 0.84 0.00 0.00 0.94 0.00 0.00 59 V 8.37 4.33 2.20 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 0.84 0.00 0.00 0.98 0.00 0.00 60 R 8.07 4.67 0.00 1.80 1.78 0.00 3.40 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 61 G 8.21 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 0.00 0.00 0.00 62 S 8.68 4.69 0.00 3.97 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 63 K 7.58 4.67 0.00 1.71 1.92 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.35 7.81 64 K 7.98 4.42 0.00 2.03 2.06 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.37 7.81 65 G 7.58 4.30 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 0.00 66 Q 8.23 4.77 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 67 E 9.78 5.00 0.00 1.87 1.92 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 2.24 2.30 0.00 68 G 7.52 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 0.00 0.00 0.00 69 K 7.79 4.56 0.00 1.71 1.72 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.31 7.81 70 I 8.11 4.46 1.83 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 1.37 0.47 0.92 0.00 0.00 71 S 8.46 4.31 0.00 3.85 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 72 S 7.70 4.62 0.00 3.78 3.44 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 0.00 0.00 0.00 0.00 73 V 7.55 4.60 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 0.76 0.00 0.00 0.91 0.00 0.00 74 Y 8.25 4.83 0.00 3.04 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 75 R 8.92 4.02 0.00 1.97 2.11 0.00 3.15 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 76 L 8.11 4.03 0.00 1.63 1.70 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.06 3.89 0.00 1.60 1.87 0.00 1.81 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.26 7.81 78 F 7.73 4.05 0.00 3.02 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 79 A 7.69 4.96 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.51 4.40 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 0.90 0.00 0.00 0.92 0.00 0.00 81 Q 8.74 4.88 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 82 V 8.38 4.41 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 83 D 8.57 4.89 0.00 2.70 2.64 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 84 K 9.03 4.26 0.00 1.88 1.74 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.15 1.25 7.81 85 V 8.28 2.95 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 0.67 0.00 0.00 0.94 0.00 0.00 86 T 8.27 3.24 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 1.22 0.00 0.00 87 K 7.82 4.83 0.00 1.80 1.72 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.17 1.27 7.81 88 E 8.81 4.46 0.00 2.01 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 2.25 2.28 0.00 89 K 8.59 4.67 0.00 1.93 1.74 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.43 7.81 90 V 8.48 3.79 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 91 N 7.90 4.57 0.00 2.82 2.92 0.00 0.00 6.29 7.00 0.00 0.00 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 G 7.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.18 4.22 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 94 S 8.60 4.94 0.00 3.97 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 95 V 8.17 4.40 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 0.77 0.00 0.00 0.99 0.00 0.00 96 P 0.00 4.24 0.00 2.09 2.11 0.00 3.80 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 2.02 2.12 0.00 97 I 7.77 3.23 1.89 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 1.43 0.56 0.93 0.00 0.00 98 N 8.42 5.40 0.00 2.62 2.76 0.00 0.00 7.06 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 99 L 8.23 4.79 0.00 1.68 1.56 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 100 H 8.57 5.15 0.00 3.20 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.25 0.00 1.93 2.03 0.00 3.19 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 102 S 7.99 4.60 0.00 3.92 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 0.00 103 K 8.01 4.54 0.00 1.99 1.79 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.40 7.81 104 L 7.57 5.29 0.00 1.57 1.63 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.28 4.57 2.08 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 1.05 0.00 0.00 0.93 0.00 0.00 106 I 8.29 4.55 1.87 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 1.49 0.77 0.90 0.00 0.00 107 T 8.54 4.41 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 1.22 0.00 0.00 108 K 7.92 4.76 0.00 1.75 1.73 0.00 1.51 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.50 7.81 109 L 8.53 5.20 0.00 1.64 1.54 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.44 4.93 0.00 3.04 3.16 0.00 5.76 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.99 4.01 0.00 1.61 1.53 0.69 -0.06 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 0.00 112 D 8.04 4.87 0.00 2.70 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 0.00 113 K 8.69 3.98 0.00 1.70 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 114 D 7.82 4.90 0.00 2.71 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 0.00 115 R 8.12 3.74 0.00 1.80 1.92 0.00 3.24 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 116 K 7.53 3.69 0.00 2.00 1.81 0.00 1.24 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.35 7.81 117 A 7.91 3.95 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 0.00 118 L 7.21 3.96 0.00 1.58 1.73 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.03 3.85 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.89 0.00 0.00 120 Q 7.85 4.31 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.24 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 121 R 7.51 4.12 0.00 1.90 1.89 0.00 3.43 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 122 K 8.29 4.46 0.00 1.90 2.01 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.36 7.81 123 G 7.70 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 0.00 124 G 8.66 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 0.00 0.00 0.00 125 K 8.36 3.87 0.00 1.91 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.44 7.81 126 L 7.38 4.62 0.00 1.62 1.54 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.27 4.27 0.00 1.88 1.79 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 2.20 2.32 0.00