NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8528 8.1545 120.3725 62.4583 32.5015 175.7393 2 D 4.3769 8.3430 126.4679 50.8291 40.5596 167.6147 3 V 3.8711 7.9003 122.7461 59.8135 33.3798 174.2036 4 P 4.3597 0.0000 0.0000 62.1537 31.9314 175.9220 5 A 4.1616 8.2037 121.9999 51.9656 18.8743 177.2094 6 D 4.5085 8.2788 119.8452 55.3675 41.4452 176.6431 7 G 3.8079 8.9764 106.7148 45.7875 0.0000 173.3896 8 A 4.2663 8.3185 124.9752 51.9795 19.3785 178.5192 9 K 4.5955 8.7192 126.9772 54.8478 33.0413 172.9923 10 I 4.0849 9.0229 126.5718 58.3951 39.5144 175.7352 11 D 4.9794 7.4032 127.1684 53.3244 41.7081 174.3295 12 F 4.5838 8.0079 119.1636 58.0743 40.3616 176.4003 13 I 4.3625 7.9481 121.0598 59.5691 38.6388 175.5121 14 A 4.4211 8.4787 128.9119 50.6484 17.5053 177.7440 15 G 3.8303 8.7900 110.6575 47.5245 0.0000 173.1025 16 G 3.9640 7.7129 107.0765 44.6421 0.0000 175.3119 17 E 3.9554 9.0587 118.5797 58.8978 29.6170 175.3248 18 K 4.4694 7.8193 121.8085 52.5217 32.0381 175.8109 19 N 4.9409 8.3873 123.1992 51.1072 40.5017 174.2039 20 L 4.7009 8.3435 124.8834 53.5894 43.4725 175.8059 21 T 4.8682 8.3971 118.6289 61.7269 71.6166 173.3853 22 V 4.4684 8.7909 125.7009 61.0701 34.5219 174.1399 23 V 4.7411 8.4544 127.2077 61.4499 33.1487 174.2869 24 F 4.8517 9.6434 130.8354 56.6242 40.8745 173.6951 25 N 5.0978 7.7038 123.1164 51.7313 40.4203 175.7043 26 H 4.3494 9.0023 121.4656 58.5177 29.3974 177.7799 27 S 4.0954 8.4406 114.1376 61.4663 62.6447 175.4406 28 T 4.1225 7.1815 108.8043 62.6242 69.0563 174.5480 29 H 4.8648 8.1148 120.3575 55.4904 29.2312 176.2442 30 K 4.1116 8.1350 120.5438 59.4093 32.4777 177.0538 31 D 4.6737 8.0394 117.9149 54.1512 41.0421 175.6957 32 V 4.3090 7.4970 120.2561 60.6968 32.9892 175.9282 33 K 4.2588 8.4637 126.3637 56.4199 32.9755 177.6171 34 C 4.2525 8.9868 120.1871 63.2294 28.0357 175.4783 35 D 5.0220 8.0080 115.9236 54.0947 39.2316 177.0795 36 D 4.5859 8.0520 119.5833 55.9065 41.4718 176.3720 37 C 4.6012 8.1042 114.3337 61.6135 30.6304 174.8726 38 H 4.5150 8.3087 119.7133 54.7703 26.5634 175.6284 39 H 4.4889 7.8597 117.8013 56.7737 29.7891 176.7144 40 D 4.6492 7.5249 120.5703 50.8351 39.9920 179.5478 41 P 4.6039 0.0000 0.0000 62.6734 32.9576 176.9475 42 G 4.0114 8.5746 104.4417 44.3748 0.0000 175.4074 43 D 4.3893 8.8470 120.2075 57.1586 41.0389 177.8941 44 K 4.5298 7.7768 116.2188 56.0363 32.7179 177.7785 45 Q 4.3633 7.5480 122.0566 58.6271 28.6948 177.6766 46 Y 4.4719 7.7090 111.2287 57.5437 38.1060 175.5633 47 A 4.2613 7.7764 123.6268 51.3234 19.3133 178.5749 48 G 3.7078 8.3291 108.2766 45.7391 0.0000 174.9632 49 C 4.0519 8.4128 119.9665 62.3152 28.6154 175.3015 50 T 4.4056 6.6340 107.4043 60.5101 68.6594 174.4601 51 T 3.8564 7.2939 119.4928 63.7783 68.9797 173.1638 52 D 4.4095 8.4164 124.1054 56.2790 41.4533 176.9249 53 G 4.1138 9.1066 114.2893 45.4251 0.0000 173.1885 54 C 4.5366 7.9791 114.9489 60.5028 28.8442 176.2255 55 H 5.0161 8.1185 127.7348 55.6471 26.8528 175.1886 56 N 4.6538 7.5945 114.1608 52.9703 38.6188 175.8050 57 I 4.1282 7.9354 122.2197 60.9325 37.5469 176.0208 58 L 4.7205 8.5353 124.5099 54.5533 42.3123 175.6956 59 D 4.6802 7.8651 120.6718 52.6782 41.7080 177.1879 60 K 3.7570 8.6366 126.1982 59.5491 32.7504 178.1356 61 A 3.9657 7.9825 122.3417 54.6084 18.4640 177.7533 62 D 4.4063 7.6768 115.1928 54.9866 41.4672 176.2157 63 K 4.5825 8.5963 125.1987 56.1523 33.0238 176.2890 64 S 4.6105 8.2948 115.4696 56.8912 64.2468 175.2922 65 V 3.7811 8.1958 119.3570 64.0513 31.3380 176.5439 66 N 4.8809 8.0262 116.6671 52.8139 39.0219 174.3708 67 S 4.8775 8.2258 115.3190 57.5211 63.1990 174.3030 68 W 4.4384 9.2935 135.0000 60.7985 30.5647 177.2118 69 Y 3.6644 8.2045 119.1255 60.5263 38.0872 178.0368 70 K 4.0162 8.1340 120.1266 59.4453 32.1167 178.9586 71 V 3.6148 7.7073 111.4124 62.8715 31.4031 178.2104 72 V 3.3796 6.9478 118.6317 65.0430 31.5306 176.9118 73 H 4.4293 7.4609 113.1142 55.1873 29.4881 175.2101 74 D 4.2842 7.6193 120.4749 54.5643 41.2446 176.4913 75 A 4.1044 8.6020 129.1418 54.3552 18.9043 178.0953 76 K 4.0196 8.7524 117.1639 56.9990 32.7244 178.1974 77 G 4.2150 9.5366 101.5434 45.9045 0.0000 174.4359 78 G 4.1668 7.9266 110.7285 44.7062 0.0000 174.9136 79 A 4.0880 9.1376 127.1100 53.9541 18.5489 178.1688 80 K 4.7108 7.5264 113.2130 53.5391 36.1454 173.7661 81 P 4.6642 0.0000 0.0000 62.8023 32.3594 176.8396 82 T 4.3582 8.1254 111.5859 60.7353 71.7123 175.6798 83 C 4.0044 7.6590 118.3464 62.9681 27.8321 176.6436 84 I 3.7049 7.5308 121.5557 64.1638 36.6346 178.5619 85 S 4.0945 8.2491 115.5236 61.5942 62.6912 176.2044 86 C 4.1288 7.9951 121.8630 62.4848 31.3121 175.1857 87 H 4.1887 8.0719 117.7036 58.7702 28.3641 177.7306 88 K 3.9812 8.5022 121.9059 59.4607 31.7935 178.6653 89 D 4.4403 7.8677 120.7923 57.9950 40.8260 179.3246 90 K 4.1511 8.0783 123.0484 59.4937 31.9170 180.7190 91 A 4.3391 8.3742 120.9544 52.3226 18.4733 179.3548 92 G 3.7302 8.0981 104.8044 47.4344 0.0000 173.8998 93 D 4.6202 8.7193 123.3819 53.7947 40.9870 176.1245 94 D 4.5727 8.3922 123.2948 54.0999 41.4940 177.3078 95 K 4.0083 8.7784 135.0000 60.3656 31.6151 176.3977 96 E 4.2055 8.2106 117.6239 61.2229 29.8478 182.4027 97 L 4.1128 8.6829 122.1156 57.7048 42.0817 178.9744 98 K 3.9250 8.2920 119.8509 59.4535 32.1507 179.0072 99 K 3.9786 7.9486 118.4903 59.3896 31.9186 179.3664 100 K 3.9584 8.3299 120.0677 59.0869 31.9086 178.3666 101 L 4.3069 8.3673 118.1369 55.5369 42.1980 177.2519 102 T 4.5829 8.2066 106.0385 60.4938 70.0866 174.6166 103 G 3.7984 7.8749 111.7556 46.1334 0.0000 173.7054 104 C 4.4138 8.5462 118.7941 60.9208 28.8332 174.1510 105 K 4.6281 7.4966 118.9894 55.7068 34.7667 175.7162 106 G 3.8813 8.9567 113.2360 46.4969 0.0000 173.3150 107 S 4.6717 7.5621 114.6785 55.8813 65.3835 174.5799 108 A 4.0218 8.5579 123.0016 55.2389 18.2903 179.0996 109 C 4.3021 8.1389 112.8891 62.5140 28.8551 173.9342 110 H 4.9710 7.9718 117.8418 52.7928 28.1510 172.1707 111 P 4.8790 0.0000 0.0000 62.3137 31.1738 177.3226 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 V 8.15 3.85 1.60 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 0.22 0.00 0.00 0.68 0.00 0.00 2 D 8.34 4.38 0.00 2.82 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 3 V 7.90 3.87 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 0.90 0.00 0.00 4 P 0.00 4.36 0.00 2.24 2.10 0.00 3.39 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 1.91 1.94 0.00 5 A 8.20 4.16 1.27 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 0.00 0.00 6 D 8.28 4.51 0.00 2.66 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 7 G 8.98 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 8 A 8.32 4.27 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 9 K 8.72 4.60 0.00 1.56 1.61 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.04 7.81 10 I 9.02 4.08 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 1.28 0.00 0.00 11 D 7.40 4.98 0.00 2.50 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 0.00 0.00 0.00 12 F 8.01 4.58 0.00 3.00 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 13 I 7.95 4.36 2.11 0.00 0.00 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 1.77 1.00 1.04 0.00 0.00 14 A 8.48 4.42 1.31 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 0.00 0.00 15 G 8.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.71 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 0.00 0.00 0.00 17 E 9.06 3.96 0.00 2.00 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 2.24 1.90 0.00 18 K 7.82 4.47 0.00 1.74 1.64 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.95 7.81 19 N 8.39 4.94 0.00 2.67 2.75 0.00 0.00 7.18 7.78 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 20 L 8.34 4.70 0.00 1.72 1.62 0.71 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.40 4.87 4.27 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 1.28 0.00 0.00 22 V 8.79 4.47 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 0.85 0.00 0.00 1.03 0.00 0.00 23 V 8.45 4.74 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 0.84 0.00 0.00 0.96 0.00 0.00 24 F 9.64 4.85 0.00 3.18 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 25 N 7.70 5.10 0.00 2.44 2.72 0.00 0.00 7.16 8.16 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 26 H 9.00 4.35 0.00 3.31 3.44 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.44 4.10 0.00 3.96 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 0.00 28 T 7.18 4.12 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 1.13 0.00 0.00 29 H 8.11 4.86 0.00 3.36 3.41 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.13 4.11 0.00 1.89 2.06 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.47 7.81 31 D 8.04 4.67 0.00 2.69 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 32 V 7.50 4.31 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 0.85 0.00 0.00 1.02 0.00 0.00 33 K 8.46 4.26 0.00 1.90 1.89 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.50 7.81 34 C 8.99 4.25 0.00 3.18 3.32 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 35 D 8.01 5.02 0.00 2.89 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 36 D 8.05 4.59 0.00 2.88 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 37 C 8.10 4.60 0.00 2.79 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 38 H 8.31 4.52 0.00 2.93 2.86 0.00 5.61 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 39 H 7.86 4.49 0.00 3.22 3.48 0.00 5.32 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.52 4.65 0.00 2.62 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 41 P 0.00 4.60 0.00 2.15 2.06 0.00 3.69 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 1.97 1.95 0.00 42 G 8.57 4.01 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 0.00 0.00 0.00 43 D 8.85 4.39 0.00 2.67 2.75 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 44 K 7.78 4.53 0.00 1.75 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.36 7.81 45 Q 7.55 4.36 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.05 7.29 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 46 Y 7.71 4.47 0.00 2.98 2.86 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 47 A 7.78 4.26 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 48 G 8.33 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 49 C 8.41 4.05 0.00 2.40 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 50 T 6.63 4.41 3.65 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 -0.40 0.00 0.00 51 T 7.29 3.86 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 1.14 0.00 0.00 52 D 8.42 4.41 0.00 2.56 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 G 9.11 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 54 C 7.98 4.54 0.00 3.02 1.78 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 55 H 8.12 5.02 0.00 3.44 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.59 4.65 0.00 2.77 3.12 0.00 0.00 6.41 7.81 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 57 I 7.94 4.13 2.12 0.00 0.00 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 1.32 0.68 1.01 0.00 0.00 58 L 8.54 4.72 0.00 1.71 1.83 1.07 1.19 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 59 D 7.87 4.68 0.00 2.77 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 60 K 8.64 3.76 0.00 0.79 1.60 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.06 0.71 7.81 61 A 7.98 3.97 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 62 D 7.68 4.41 0.00 2.69 2.73 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 63 K 8.60 4.58 0.00 1.76 1.78 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.33 7.81 64 S 8.29 4.61 0.00 4.03 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 65 V 8.20 3.78 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 0.77 0.00 0.00 0.98 0.00 0.00 66 N 8.03 4.88 0.00 2.92 2.89 0.00 0.00 6.90 7.01 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 67 S 8.23 4.88 0.00 4.22 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 68 W 9.29 4.44 0.00 3.61 3.25 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 69 Y 8.20 3.66 0.00 3.11 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 70 K 8.13 4.02 0.00 1.99 1.97 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 71 V 7.71 3.61 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 0.70 0.00 0.00 0.86 0.00 0.00 72 V 6.95 3.38 1.35 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 0.29 0.00 0.00 -0.43 0.00 0.00 73 H 7.46 4.43 0.00 2.76 3.16 0.00 5.93 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 74 D 7.62 4.28 0.00 2.70 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 75 A 8.60 4.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.02 0.00 1.68 1.97 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.37 7.81 77 G 9.54 4.22 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 0.00 78 G 7.93 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 0.00 0.00 0.00 79 A 9.14 4.09 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 80 K 7.53 4.71 0.00 1.63 1.60 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.22 7.81 81 P 0.00 4.66 0.00 2.16 2.03 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 82 T 8.13 4.36 4.21 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 1.20 0.00 0.00 83 C 7.66 4.00 0.00 2.91 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 84 I 7.53 3.70 1.88 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 1.49 0.52 0.92 0.00 0.00 85 S 8.25 4.09 0.00 4.15 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 0.00 86 C 8.00 4.13 0.00 3.06 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 87 H 8.07 4.19 0.00 3.36 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.50 3.98 0.00 1.87 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.48 7.81 89 D 7.87 4.44 0.00 2.81 2.72 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 90 K 8.08 4.15 0.00 1.85 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 91 A 8.37 4.34 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 92 G 8.10 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 93 D 8.72 4.62 0.00 2.66 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 94 D 8.39 4.57 0.00 2.69 2.72 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 95 K 8.78 4.01 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.08 7.81 96 E 8.21 4.21 0.00 1.97 1.98 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 2.31 1.93 0.00 97 L 8.68 4.11 0.00 2.03 1.67 0.89 0.45 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 98 K 8.29 3.93 0.00 2.06 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 99 K 7.95 3.98 0.00 2.11 1.84 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 100 K 8.33 3.96 0.00 1.80 1.97 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 101 L 8.37 4.31 0.00 1.66 1.63 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.21 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 1.23 0.00 0.00 103 G 7.87 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 0.00 104 C 8.55 4.41 0.00 3.00 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 0.00 105 K 7.50 4.63 0.00 1.66 1.62 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.43 7.81 106 G 8.96 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 0.00 0.00 0.00 107 S 7.56 4.67 0.00 4.18 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 0.00 108 A 8.56 4.02 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 0.00 109 C 8.14 4.30 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 0.00 110 H 7.97 4.97 0.00 3.27 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.88 0.00 2.23 2.17 0.00 3.94 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 2.10 1.94 0.00