NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2108 8.2644 123.5746 51.7475 19.9740 175.8434 2 Q 3.9148 8.1445 118.1904 55.0496 29.5928 174.6151 3 G 3.7399 9.1757 113.9563 45.9483 0.0000 173.5780 4 T 3.9579 8.3920 120.1270 64.8006 68.7044 175.9447 5 K 3.8285 9.0291 117.4514 56.0461 29.2889 175.3579 6 F 4.9046 7.5147 115.4902 56.1194 43.5970 173.7572 7 R 4.6380 9.3588 120.2652 55.2387 31.7257 175.5910 8 I 4.8387 8.2823 122.9497 59.0655 41.2303 174.1663 9 S 4.7414 7.8926 124.0938 56.2441 64.4605 173.9831 10 L 3.9552 8.5950 125.5481 54.7741 41.6207 177.4686 11 G 3.7693 8.8914 113.4121 46.9477 0.0000 173.3382 12 L 4.7427 8.1305 119.5540 52.1263 45.0036 174.0106 13 P 5.1372 0.0000 0.0000 60.3896 33.8644 174.3933 14 V 3.7946 7.8600 118.8755 64.2710 31.6377 176.2048 15 G 3.3422 8.8348 115.9920 43.8687 0.0000 173.7356 16 A 4.0748 7.4239 121.8601 51.9412 19.7522 176.3631 17 I 4.9422 8.1472 120.7989 59.7933 39.3021 174.9966 18 M 4.9250 9.3372 123.7241 53.2731 35.5041 173.8709 19 N 4.7838 8.6738 117.8611 53.5888 40.4646 173.3553 20 C 5.0549 8.6219 125.5492 57.7056 32.6609 173.8475 21 A 4.3433 9.0341 128.8758 53.4319 18.2348 176.1120 22 D 5.1617 7.5417 114.9600 51.7045 42.0653 175.4405 23 N 5.0533 8.4153 114.2388 53.4143 39.1912 176.2275 24 S 4.1709 8.4440 115.1458 59.6935 63.8120 175.0239 25 G 3.9432 8.3767 107.3950 44.9778 0.0000 172.4666 26 A 4.8468 7.4723 123.0171 50.7033 20.3624 177.2333 27 R 4.2874 8.8687 123.5493 58.8225 31.1213 176.5244 28 N 5.5461 8.0559 115.1329 51.0319 41.0551 172.7912 29 L 5.2541 9.3809 120.3327 53.1624 46.0415 174.5572 30 Y 5.0944 8.7599 122.4250 55.7557 41.7189 174.3027 31 I 4.3176 7.9698 120.8951 60.2263 38.7235 176.2795 32 I 4.0019 8.6126 128.3231 63.5004 38.4742 175.2909 33 A 4.6036 7.6572 120.7185 51.2836 22.8210 175.3581 34 V 4.5318 8.3363 112.3711 59.9297 33.2810 175.4494 35 K 4.3588 8.9748 124.0005 58.0245 33.8064 177.3671 36 G 4.3022 7.7659 110.9529 41.9841 0.0000 173.7907 37 S 5.3621 8.5012 129.1516 58.6163 62.6097 179.8940 38 G 3.9266 7.5885 104.5684 44.6828 0.0000 172.8653 39 S 4.1534 8.3760 114.1223 58.0355 61.8078 174.3233 40 R 4.1908 7.9266 128.9791 58.3558 30.8458 176.5275 41 L 4.1925 7.5626 116.7044 54.8377 42.7612 177.4214 42 N 4.8127 8.8577 120.4228 54.1583 40.3280 176.1972 43 R 3.9543 8.0712 113.7931 57.8884 29.7973 175.9686 44 L 4.5681 7.6229 120.4433 51.8736 43.5514 173.4971 45 P 5.4666 0.0000 0.0000 62.1334 32.6528 175.1076 46 A 5.3522 8.5766 123.5380 50.2247 22.0997 175.0306 47 A 4.9483 9.4209 121.5210 50.7243 23.4533 176.1024 48 S 5.5544 8.8033 112.1122 56.5663 65.9419 173.2218 49 L 4.1212 7.8635 119.9206 56.7367 41.6116 177.5778 50 G 4.1312 8.7872 111.8137 45.2875 0.0000 173.6258 51 D 4.7259 7.8859 119.5920 54.3463 42.5583 174.9654 52 M 5.1113 8.6486 121.0428 54.2232 34.2879 175.2455 53 V 4.9300 8.8757 124.5676 60.1775 35.7393 173.7986 54 M 4.8737 8.9949 122.1686 54.5971 34.0404 174.7334 55 A 5.2102 9.4998 126.5966 50.7033 23.6976 174.4796 56 T 4.9405 8.6559 113.1709 60.2743 71.1302 173.4780 57 V 4.3014 8.0758 127.3382 61.7934 31.7479 176.3876 58 K 4.0221 8.6181 130.6969 58.7836 32.7944 177.1179 59 K 4.5726 9.2872 120.1411 53.9970 35.8838 177.1663 60 G 4.1038 8.2210 111.4488 45.4141 0.0000 172.0261 61 K 4.2136 7.7215 121.2227 55.4398 32.8475 177.3694 62 P 4.2641 0.0000 0.0000 65.3841 31.2029 178.4210 63 E 4.0689 8.0221 117.2303 59.3099 30.0017 178.4230 64 L 4.0781 7.8215 118.5782 56.6213 41.9383 177.4911 65 R 4.1715 7.6206 118.1125 58.0384 30.3003 176.0684 66 K 3.8948 8.7679 122.1057 56.9797 30.5388 175.8602 67 K 4.2784 7.9131 119.2441 56.1579 33.4896 176.0740 68 V 4.6098 8.2501 123.6490 61.8918 32.6296 174.6945 69 M 4.9546 9.2446 126.7130 53.1520 37.1841 172.8476 70 P 5.0499 0.0000 0.0000 62.7568 33.4547 175.0445 71 A 4.7825 8.6883 122.5978 51.3778 23.5654 175.0607 72 I 4.8903 8.3803 119.0479 59.4499 41.2842 175.6103 73 V 4.0625 8.4981 126.9962 62.8772 31.6018 176.5708 74 V 4.0118 8.4874 129.4478 65.0828 32.2839 176.0631 75 R 4.1136 7.5121 114.4155 54.9967 32.9363 173.8049 76 Q 5.1216 8.3787 119.2169 55.2173 32.1731 175.1754 77 A 4.4866 9.5603 127.9027 54.6668 18.7260 178.6922 78 K 4.4227 7.8955 115.9679 56.1625 32.6797 177.1953 79 S 5.0649 8.8317 120.5679 58.5011 64.8772 172.5383 80 W 5.4723 9.2969 119.2638 55.0968 33.3781 174.5808 81 R 4.6543 9.4778 120.4840 54.6087 32.3532 176.1537 82 R 5.0959 8.5751 123.0022 54.9650 31.8494 177.7309 83 R 3.9233 9.7888 121.2924 59.5373 30.2673 177.7413 84 D 4.4062 8.1308 116.3778 55.1858 39.5277 176.7025 85 G 3.9298 7.8443 106.5792 45.3353 0.0000 174.6380 86 V 3.9081 8.7302 114.1568 61.3791 32.7873 175.2412 87 F 5.7806 8.7394 121.4297 55.3748 41.4884 175.1498 88 L 4.9447 8.6160 121.2062 53.0635 45.2900 175.0211 89 Y 5.2890 7.8625 119.4679 55.4341 41.2210 174.1149 90 F 4.6051 8.9334 118.6643 55.5085 42.2817 176.6555 91 E 4.1399 9.1525 120.8315 59.1211 29.6509 175.4188 92 D 4.8818 7.7851 114.5729 52.4450 43.0429 173.4058 93 N 5.3186 8.7481 114.4320 52.0072 41.1737 174.1008 94 A 5.0921 8.9856 124.0066 50.9319 23.4104 174.9556 95 G 4.4230 8.9872 105.4466 44.7247 0.0000 171.6435 96 V 4.7462 8.4124 119.9215 60.5751 34.4720 174.8945 97 I 4.3684 8.5673 128.8007 61.4112 37.4699 175.2181 98 A 4.9380 8.5358 127.5411 50.1543 22.5868 174.8700 99 N 4.7743 8.1250 116.3641 50.2825 39.6933 174.4342 100 P 4.1141 0.0000 0.0000 66.2828 31.1341 178.0573 101 K 3.5482 6.8729 111.1729 57.1078 32.9154 176.3562 102 G 5.3963 7.6250 125.6447 45.5455 0.0000 172.5103 103 E 4.0514 7.6019 120.6105 56.8023 30.0702 176.0121 104 M 4.2680 8.1127 120.4450 53.6901 33.1999 175.0737 105 K 3.4421 7.8656 118.6881 57.0601 33.0736 177.4416 106 G 4.3035 8.0358 110.7422 46.6749 0.0000 173.0431 107 S 4.1152 7.7744 116.1085 59.6859 63.9624 175.0340 108 A 4.5851 7.2719 118.7085 50.0625 21.8163 174.5656 109 I 4.3551 7.8730 116.6907 58.8886 39.2098 175.6681 110 T 3.7179 8.5068 122.1402 63.7489 67.6600 174.4701 111 G 3.9766 8.9903 114.2410 44.1480 0.0000 170.6171 112 P 4.8510 0.0000 0.0000 62.5788 32.6387 175.9344 113 V 4.5765 8.3249 112.5240 59.3483 36.2204 175.3745 114 G 4.0547 8.6049 109.9744 45.6349 0.0000 175.0749 115 K 4.1370 9.1703 124.0219 59.8039 32.3550 179.4587 116 E 4.2327 8.2678 119.5313 59.4937 29.4328 178.9757 117 C 4.3128 8.2106 113.7491 61.3774 29.4849 175.4780 118 A 4.0564 8.2112 123.5028 54.8823 17.7091 179.0876 119 D 4.3344 8.0930 115.5584 57.4911 41.3885 178.2460 120 L 4.0788 7.5006 118.3740 55.9376 42.7220 177.4519 121 W 4.6956 8.1724 121.4508 53.2709 29.4071 173.9957 122 P 4.5262 0.0000 0.0000 65.3419 30.4635 178.6084 123 R 4.0387 8.0613 116.2391 59.1210 30.3433 178.9872 124 V 3.7975 7.9620 111.5743 64.2440 31.6349 178.2943 125 A 4.0891 8.1760 120.6798 55.1486 18.0636 179.3171 126 S 4.3887 8.3733 111.3126 60.1070 62.6365 174.5541 127 N 5.0185 7.9668 118.2293 52.7022 39.9038 173.9125 128 S 4.6929 8.4409 115.7196 57.5722 64.0259 174.8682 129 G 3.7462 8.7697 113.9661 48.2288 0.0000 174.2050 130 V 4.7197 7.5093 112.5878 58.9656 36.2815 174.9065 131 V 4.8284 8.3702 122.4149 59.9162 34.0599 175.5511 132 V 3.9569 9.0310 124.5580 62.7790 31.6199 175.0842 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 A 8.26 4.21 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 2 Q 8.14 3.91 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 3 G 9.18 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 4 T 8.39 3.96 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 1.57 0.00 0.00 5 K 9.03 3.83 0.00 1.77 1.39 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.32 7.81 6 F 7.51 4.90 0.00 3.55 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 7 R 9.36 4.64 0.00 1.82 1.92 0.00 3.26 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 8 I 8.28 4.84 1.43 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.29 0.74 0.00 0.00 9 S 7.89 4.74 0.00 4.08 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 10 L 8.60 3.96 0.00 1.60 1.72 0.88 0.98 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 11 G 8.89 3.77 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 0.00 0.00 0.00 12 L 8.13 4.74 0.00 1.72 1.46 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.14 0.00 2.14 2.13 0.00 3.64 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 1.91 1.88 0.00 14 V 7.86 3.79 2.06 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 0.95 0.00 0.00 0.97 0.00 0.00 15 G 8.83 3.34 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 0.00 16 A 7.42 4.07 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 17 I 8.15 4.94 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 1.01 0.00 0.00 18 M 9.34 4.92 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 19 N 8.67 4.78 0.00 2.93 2.71 0.00 0.00 7.13 7.09 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 20 C 8.62 5.05 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.03 4.34 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 22 D 7.54 5.16 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 23 N 8.42 5.05 0.00 2.70 2.83 0.00 0.00 6.81 7.57 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 24 S 8.44 4.17 0.00 3.96 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 25 G 8.38 3.94 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 0.00 0.00 0.00 26 A 7.47 4.85 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 27 R 8.87 4.29 0.00 1.83 1.98 0.00 3.07 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 28 N 8.06 5.55 0.00 2.88 2.87 0.00 0.00 5.92 6.67 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 29 L 9.38 5.25 0.00 1.54 1.58 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.76 5.09 0.00 3.05 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 31 I 7.97 4.32 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.59 0.84 0.00 0.00 32 I 8.61 4.00 1.96 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 1.20 0.90 1.04 0.00 0.00 33 A 7.66 4.60 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 34 V 8.34 4.53 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 0.77 0.00 0.00 1.04 0.00 0.00 35 K 8.97 4.36 0.00 1.81 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.51 7.81 36 G 7.77 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 37 S 8.50 5.36 0.00 4.04 4.17 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 38 G 7.59 3.93 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 0.00 0.00 0.00 39 S 8.38 4.15 0.00 3.87 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 40 R 7.93 4.19 0.00 1.83 1.84 0.00 3.23 0.00 0.00 3.20 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 41 L 7.56 4.19 0.00 1.80 1.64 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.86 4.81 0.00 2.64 2.81 0.00 0.00 7.37 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 43 R 8.07 3.95 0.00 1.96 2.05 0.00 3.02 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 44 L 7.62 4.57 0.00 1.55 1.58 0.91 0.92 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 45 P 0.00 5.47 0.00 2.14 2.15 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.81 0.00 46 A 8.58 5.35 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 47 A 9.42 4.95 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 48 S 8.80 5.55 0.00 3.73 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 49 L 7.86 4.12 0.00 0.59 1.79 0.66 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.79 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 51 D 7.89 4.73 0.00 2.75 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 52 M 8.65 5.11 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 53 V 8.88 4.93 2.06 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 0.80 0.00 0.00 1.02 0.00 0.00 54 M 8.99 4.87 0.00 2.10 1.95 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 2.53 2.49 0.00 55 A 9.50 5.21 1.23 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 0.00 0.00 56 T 8.66 4.94 4.28 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 0.00 0.00 0.00 1.27 0.00 0.00 57 V 8.08 4.30 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 0.97 0.00 0.00 0.97 0.00 0.00 58 K 8.62 4.02 0.00 1.86 2.26 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.56 7.81 59 K 9.29 4.57 0.00 1.87 1.65 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 60 G 8.22 4.10 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 0.00 0.00 0.00 61 K 7.72 4.21 0.00 1.82 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.41 7.81 62 P 0.00 4.26 0.00 2.05 2.09 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 63 E 8.02 4.07 0.00 1.93 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 2.28 2.45 0.00 64 L 7.82 4.08 0.00 1.83 1.69 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.62 4.17 0.00 1.88 1.99 0.00 3.38 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 66 K 8.77 3.89 0.00 1.93 1.89 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.37 7.81 67 K 7.91 4.28 0.00 1.80 1.71 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.52 7.81 68 V 8.25 4.61 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 0.86 0.00 0.00 0.93 0.00 0.00 69 M 9.24 4.95 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 70 P 0.00 5.05 0.00 2.10 1.87 0.00 3.57 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 2.04 2.05 0.00 71 A 8.69 4.78 1.15 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 0.00 0.00 72 I 8.38 4.89 1.76 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.24 1.08 0.00 0.00 73 V 8.50 4.06 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 0.90 0.00 0.00 0.90 0.00 0.00 74 V 8.49 4.01 2.01 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 0.75 0.00 0.00 0.97 0.00 0.00 75 R 7.51 4.11 0.00 0.67 0.84 0.00 3.07 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 0.00 76 Q 8.38 5.12 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 77 A 9.56 4.49 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 78 K 7.90 4.42 0.00 1.82 1.75 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 79 S 8.83 5.06 0.00 4.30 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 80 W 9.30 5.47 0.00 3.22 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 81 R 9.48 4.65 0.00 1.77 1.73 0.00 3.31 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.78 0.00 82 R 8.58 5.10 0.00 1.72 1.91 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 83 R 9.79 3.92 0.00 1.73 2.07 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 84 D 8.13 4.41 0.00 2.81 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 85 G 7.84 3.93 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 0.00 0.00 0.00 86 V 8.73 3.91 2.06 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 0.76 0.00 0.00 0.97 0.00 0.00 87 F 8.74 5.78 0.00 2.97 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 88 L 8.62 4.94 0.00 1.18 0.98 0.71 0.34 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 89 Y 7.86 5.29 0.00 3.27 2.98 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 90 F 8.93 4.61 0.00 3.45 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 91 E 9.15 4.14 0.00 2.02 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 0.00 2.36 2.37 0.00 92 D 7.79 4.88 0.00 2.69 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 93 N 8.75 5.32 0.00 2.65 2.73 0.00 0.00 6.50 8.14 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 94 A 8.99 5.09 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 95 G 8.99 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 0.00 0.00 0.00 0.00 96 V 8.41 4.75 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 0.96 0.00 0.00 0.91 0.00 0.00 97 I 8.57 4.37 1.92 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 1.13 0.62 0.86 0.00 0.00 98 A 8.54 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.13 4.77 0.00 2.81 2.90 0.00 0.00 7.32 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 0.00 100 P 0.00 4.11 0.00 2.05 2.18 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 101 K 6.87 3.55 0.00 1.74 1.64 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.27 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.55 7.81 102 G 7.62 5.40 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 0.00 103 E 7.60 4.05 0.00 2.04 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 2.43 2.32 0.00 104 M 8.11 4.27 0.00 2.01 1.93 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 2.47 2.59 0.00 105 K 7.87 3.44 0.00 1.85 1.75 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.40 7.81 106 G 8.04 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 0.00 107 S 7.77 4.12 0.00 3.99 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 0.00 108 A 7.27 4.59 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 0.00 109 I 7.87 4.36 1.87 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 1.12 1.01 0.95 0.00 0.00 110 T 8.51 3.72 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 1.25 0.00 0.00 111 G 8.99 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 0.00 112 P 0.00 4.85 0.00 2.16 2.08 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 113 V 8.32 4.58 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 0.74 0.00 0.00 1.02 0.00 0.00 114 G 8.60 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 0.00 115 K 9.17 4.14 0.00 1.98 2.07 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.54 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.53 7.81 116 E 8.27 4.23 0.00 2.51 2.39 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 3.09 3.15 0.00 117 C 8.21 4.31 0.00 3.35 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 0.00 118 A 8.21 4.06 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 0.00 119 D 8.09 4.33 0.00 2.82 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 0.00 120 L 7.50 4.08 0.00 1.51 1.05 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 W 8.17 4.70 0.00 3.39 3.11 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 0.00 122 P 0.00 4.53 0.00 2.30 2.35 0.00 4.03 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 123 R 8.06 4.04 0.00 1.91 2.09 0.00 3.49 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 124 V 7.96 3.80 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 0.80 0.00 0.00 1.20 0.00 0.00 125 A 8.18 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.39 0.00 3.99 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 0.00 127 N 7.97 5.02 0.00 2.73 2.76 0.00 0.00 6.92 7.61 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 0.00 128 S 8.44 4.69 0.00 3.82 3.94 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 0.00 129 G 8.77 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 0.00 0.00 0.00 130 V 7.51 4.72 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 0.89 0.00 0.00 0.94 0.00 0.00 131 V 8.37 4.83 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 0.70 0.00 0.00 0.98 0.00 0.00 132 V 9.03 3.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.88 0.00 0.00