NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4093 8.1844 120.6411 54.8827 43.0769 175.4898 8 H 4.8011 8.8161 122.8867 53.7073 32.1481 171.7376 9 K 4.6321 8.9033 126.3994 55.9146 34.3808 175.3867 10 E 4.8744 8.9532 121.2144 54.1273 34.2316 173.4429 11 P 5.0615 0.0000 0.0000 62.9155 32.3918 175.3100 12 A 4.8903 8.3689 122.1914 51.4042 23.0257 175.7014 13 T 4.6009 8.5661 115.5054 61.2302 71.8473 173.7916 14 L 4.2374 8.7247 128.7740 55.9410 42.2520 175.7580 15 I 4.3118 8.5496 127.1644 62.0436 38.8037 176.1421 16 K 4.3222 7.4644 118.1938 55.6006 35.3887 173.6690 17 A 4.4897 8.8649 130.7610 52.1384 19.4443 176.6894 18 I 4.2293 8.3787 123.4793 62.7287 37.2509 175.0668 19 D 4.6327 7.3559 117.0003 53.4013 41.6999 175.2173 20 G 4.1523 9.2708 106.6244 47.6568 0.0000 173.7857 21 D 5.0565 8.0036 115.0557 52.8243 41.2216 175.6236 22 T 5.2737 8.1420 116.0998 62.5318 72.8774 172.7073 23 C 5.1255 9.0820 119.2636 57.2813 34.0532 172.4826 24 K 5.1511 9.4276 119.0754 54.7829 34.2272 175.7570 25 L 5.3016 9.4571 124.0439 53.1588 46.7246 175.1476 26 M 4.9486 9.1587 121.7975 54.6519 33.6992 174.1595 27 Y 5.0600 8.9766 128.0304 56.0331 42.0619 175.6155 28 K 3.5797 9.2285 126.5141 57.5673 29.6824 175.8923 29 G 3.9186 8.4173 102.3550 45.9696 0.0000 173.3427 30 Q 4.6847 8.1443 121.0523 52.9855 32.2456 172.7125 31 P 4.9801 0.0000 0.0000 63.4792 32.1779 175.5118 32 M 4.9089 9.5196 122.2811 54.2402 37.2285 173.4350 33 T 4.9498 8.4540 116.0860 60.9837 69.5582 173.2823 34 F 5.1086 9.6729 127.3071 55.6782 42.2368 174.4057 35 R 5.0900 8.8230 122.2077 54.1983 32.8635 174.6929 36 L 4.3781 8.7117 127.2418 54.7920 42.3868 177.3080 37 L 4.0287 8.7865 124.1102 55.3388 42.9367 177.6661 38 L 4.1028 8.7450 118.6933 54.7928 39.5755 174.0666 39 V 5.0858 7.3811 109.2342 59.9647 36.5718 174.7231 40 D 4.8998 8.8725 121.4176 53.4324 43.9393 174.4592 41 T 4.7849 9.1000 117.0957 59.8180 71.0164 172.9563 42 P 4.5394 0.0000 0.0000 62.4174 32.2322 176.2503 43 E 4.1999 9.1690 123.0805 56.6570 30.0731 177.4483 44 T 4.5854 8.2081 111.2260 60.7399 70.0091 173.6187 45 K 4.0833 7.6854 122.6990 57.3605 33.6629 175.1371 46 H 4.0068 8.3018 115.9060 56.0925 30.3080 174.7379 47 P 4.5053 0.0000 0.0000 65.3388 31.4343 178.4564 48 K 3.8651 8.3804 118.0359 58.2473 32.4254 176.9112 49 K 4.2375 7.9155 115.9263 57.0055 34.0404 176.8392 50 G 3.6610 8.4378 104.1313 44.0711 0.0000 172.6200 51 V 4.1112 7.8777 119.5761 61.9831 31.2798 176.3623 52 E 4.2470 9.1991 128.8773 55.4018 30.8730 176.6045 53 K 3.7474 8.4014 123.9546 58.5899 32.4215 176.5604 54 Y 4.6292 8.0583 122.8805 59.5311 36.1281 171.2038 55 G 3.6248 8.2734 107.5490 47.5630 0.0000 174.0065 56 P 4.2921 0.0000 0.0000 65.0367 31.3500 178.6379 57 E 4.0131 8.1772 116.6142 59.4293 29.5324 179.0470 58 A 4.0515 8.3988 121.1521 55.2402 17.8932 179.9005 59 S 4.1698 8.3672 113.5048 61.7226 62.8544 176.7488 60 A 4.0657 8.1435 123.4900 54.9785 18.0241 179.4068 61 F 3.9788 8.5036 119.1762 61.8211 39.2381 177.4138 62 T 3.9180 8.1437 115.2815 66.4874 68.2114 176.3162 63 K 3.9120 8.3407 121.7582 59.4436 32.2110 178.4269 64 K 3.7802 8.1269 119.8149 59.7608 31.8694 178.1435 65 M 3.8121 7.6898 116.9007 58.9246 31.9450 178.2986 66 V 3.8093 8.0155 112.4782 64.0971 31.5621 178.5092 67 E 4.0414 8.2751 117.8937 59.0429 29.4317 177.4537 68 N 4.5848 7.9551 113.4664 53.2756 39.0092 175.1946 69 A 4.5008 7.2745 121.0279 51.5910 19.3786 178.2056 70 K 4.1976 8.9678 121.8081 58.7854 32.5544 178.0719 71 K 4.7461 8.4245 116.7705 55.2255 36.5382 175.3136 72 I 5.0586 8.3870 122.4991 59.7254 40.3180 174.3009 73 E 5.1548 9.1050 124.5616 54.7904 33.8891 175.0125 74 V 4.6802 9.0183 115.7022 59.4446 35.2215 174.5095 75 E 4.9164 8.8877 124.7046 54.4908 32.2022 175.0969 76 F 4.7520 8.8715 125.6786 57.4169 40.2840 175.8998 77 D 4.9795 8.5171 120.7034 53.7100 43.0395 175.7366 78 K 4.4149 8.7068 116.3975 57.6091 34.0187 177.7512 79 G 4.1334 8.3635 113.5612 44.9019 0.0000 173.6277 80 Q 4.1134 8.5669 120.9394 56.5432 29.4202 176.7177 81 R 4.4503 8.3773 117.6337 56.7188 30.9590 176.0589 82 T 5.5127 7.6468 106.2730 58.8599 72.0916 172.7957 83 D 4.8011 8.1455 122.2582 51.2386 41.7223 177.0936 84 K 3.9731 8.3703 117.3999 59.8781 32.2102 177.1407 85 Y 4.2149 7.9643 114.8094 57.7488 38.1023 176.0682 86 G 3.8959 8.5282 108.6373 45.5763 0.0000 173.8175 87 R 4.2832 8.3123 119.4581 55.0552 31.5830 176.4285 88 G 3.2972 8.3242 111.2498 46.1443 0.0000 172.3505 89 L 5.2574 8.8985 124.9192 53.2885 43.1261 175.5436 90 A 4.4786 8.3747 123.5327 51.2953 23.7883 173.7341 91 Y 4.8272 8.8021 116.9829 56.8174 39.8786 175.4672 92 I 4.7666 8.3991 125.1983 59.7765 39.9768 174.2380 93 Y 5.0953 9.1091 123.9047 56.0539 41.2054 174.5467 94 A 4.8767 9.0755 126.1828 50.0524 21.2138 176.2105 95 D 4.3868 9.7178 124.9498 56.2939 38.8252 175.6851 96 G 3.9360 8.3780 104.4614 45.5447 0.0000 173.4147 97 K 4.5211 7.8032 120.3945 54.5135 33.7912 175.3633 98 M 3.9961 8.5445 123.7382 55.1492 33.0544 176.8606 99 V 3.6421 8.6791 127.4532 66.0329 31.6319 177.5572 100 N 4.3060 8.0725 115.7940 56.5414 38.4415 176.8197 101 E 3.9226 8.1318 119.7529 58.9980 29.6826 178.2495 102 A 4.0611 8.0791 120.9187 55.3251 18.4284 179.6333 103 L 3.5304 7.9531 117.2623 57.8680 41.7221 179.9740 104 V 3.7301 7.5259 118.1318 66.0436 31.2491 178.0605 105 R 3.9626 8.2575 117.7992 58.8310 29.9549 177.4692 106 Q 4.3391 7.4084 115.6423 54.7151 29.2304 175.7042 107 G 3.8653 7.9772 108.6857 46.8845 0.0000 174.8513 108 L 4.5523 7.7352 117.1085 54.0185 42.4455 176.2860 109 A 4.7365 7.4781 118.9339 50.7997 22.2935 175.8130 110 K 4.8552 8.3331 118.1396 54.1845 35.7602 176.0863 111 V 4.2380 8.9657 124.2224 63.2424 32.0141 175.0150 112 A 4.3064 9.1656 128.7385 50.4468 23.3556 174.6926 113 Y 3.1595 7.2838 113.6021 58.9558 35.1241 173.2870 114 V 3.7272 7.0886 118.3615 62.0709 31.4801 174.3545 115 Y 4.8880 7.9908 125.8979 55.6668 39.2945 176.0052 116 K 4.3861 8.7598 125.0715 56.2734 32.6851 175.0981 117 P 4.7229 0.0000 0.0000 63.0977 31.9986 176.8527 118 N 4.9659 8.0820 118.4986 52.3788 37.0363 175.1790 119 N 5.1838 7.6495 112.0101 52.7723 38.8032 177.4909 120 T 3.8371 8.6038 118.2079 68.0270 68.7831 174.9285 121 H 4.8577 8.2051 116.4596 55.8098 29.0622 176.6662 122 E 3.9984 8.5218 123.4656 59.7291 29.2884 179.0407 123 Q 3.9741 8.0533 117.4445 59.1071 28.7641 177.9288 124 H 4.1049 8.2310 118.7545 59.4769 29.9358 177.1980 125 L 4.0002 8.0656 120.6270 57.7110 41.3966 179.7261 126 R 3.9409 8.2300 118.6840 59.0005 29.8832 179.2014 127 K 3.9975 8.2691 118.8441 60.0421 32.5542 179.5419 128 S 4.0981 7.8446 116.1622 61.1993 62.6745 176.1869 129 E 3.9779 8.4076 122.0466 59.1261 29.3548 178.7118 130 A 3.7461 7.9509 120.9752 54.8862 18.2607 179.5000 131 Q 3.7819 7.8582 117.7634 59.2019 29.0990 178.0694 132 A 3.9709 7.8752 121.8717 54.9415 18.3217 179.4525 133 K 3.2358 7.7639 118.2996 59.3633 31.9760 179.2243 134 K 3.8928 7.7090 117.5375 59.7067 32.5343 177.9920 135 E 4.1898 8.2721 117.1548 55.2609 30.2578 176.2897 136 K 4.2724 7.8547 117.5596 56.0806 30.5736 175.4119 137 L 4.2698 8.3767 118.3614 55.6304 44.3983 178.9858 138 N 3.3886 9.3630 117.8804 54.1021 38.5083 176.1466 139 I 3.1552 4.0000 126.3524 64.3946 38.0340 176.7469 140 W 4.9929 8.2768 119.3975 56.5176 29.1887 176.5803 141 S 4.5167 8.1573 120.0473 58.4842 62.6228 173.7469 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 7 L 8.18 4.41 0.00 1.72 1.80 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.82 4.80 0.00 3.19 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.90 4.63 0.00 1.49 1.56 0.00 1.68 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.21 1.19 7.81 10 E 8.95 4.87 0.00 2.06 2.03 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 2.43 2.48 0.00 11 P 0.00 5.06 0.00 1.97 1.99 0.00 3.77 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 2.05 2.10 0.00 12 A 8.37 4.89 1.16 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 0.00 0.00 13 T 8.57 4.60 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 1.23 0.00 0.00 14 L 8.72 4.24 0.00 1.65 1.58 0.92 1.08 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 15 I 8.55 4.31 1.98 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 1.15 0.79 0.94 0.00 0.00 16 K 7.46 4.32 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.36 7.81 17 A 8.86 4.49 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 18 I 8.38 4.23 2.04 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 1.48 0.66 0.91 0.00 0.00 19 D 7.36 4.63 0.00 2.81 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 20 G 9.27 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 0.00 0.00 0.00 21 D 8.00 5.06 0.00 2.77 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 22 T 8.14 5.27 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 1.27 0.00 0.00 23 C 9.08 5.13 0.00 3.09 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 24 K 9.43 5.15 0.00 1.70 1.80 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.41 7.81 25 L 9.46 5.30 0.00 1.63 1.62 0.23 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.16 4.95 0.00 2.15 2.00 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 2.58 2.55 0.00 27 Y 8.98 5.06 0.00 3.30 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 28 K 9.23 3.58 0.00 1.22 1.63 0.00 0.61 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.11 1.25 7.81 29 G 8.42 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 30 Q 8.14 4.68 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 31 P 0.00 4.98 0.00 2.16 2.10 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 32 M 9.52 4.91 0.00 1.75 2.13 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.52 0.00 33 T 8.45 4.95 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 1.21 0.00 0.00 34 F 9.67 5.11 0.00 2.98 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 35 R 8.82 5.09 0.00 1.86 1.73 0.00 3.34 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 36 L 8.71 4.38 0.00 1.58 1.61 0.94 1.11 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 37 L 8.79 4.03 0.00 1.04 1.25 0.33 0.73 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 38 L 8.75 4.10 0.00 1.99 1.82 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.38 5.09 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 0.75 0.00 0.00 0.97 0.00 0.00 40 D 8.87 4.90 0.00 2.91 2.48 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 41 T 9.10 4.78 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 1.22 0.00 0.00 42 P 0.00 4.54 0.00 2.17 2.03 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 43 E 9.17 4.20 0.00 2.11 1.87 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 2.32 2.39 0.00 44 T 8.21 4.59 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 1.21 0.00 0.00 45 K 7.69 4.08 0.00 1.80 1.72 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 46 H 8.30 4.01 0.00 3.17 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.51 0.00 2.25 2.10 0.00 3.63 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 2.07 0.00 48 K 8.38 3.87 0.00 1.72 1.55 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.45 7.81 49 K 7.92 4.24 0.00 1.92 1.78 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.25 7.81 50 G 8.44 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 4.11 2.05 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 0.79 0.00 0.00 0.97 0.00 0.00 52 E 9.20 4.25 0.00 1.92 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 2.31 2.38 0.00 53 K 8.40 3.75 0.00 1.58 1.63 0.00 1.16 0.00 0.00 1.37 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.38 7.81 54 Y 8.06 4.63 0.00 3.18 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 55 G 8.27 3.62 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 0.00 0.00 0.00 56 P 0.00 4.29 0.00 2.16 2.12 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.18 4.01 0.00 2.36 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 2.54 2.51 0.00 58 A 8.40 4.05 1.38 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 0.00 0.00 59 S 8.37 4.17 0.00 4.06 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 60 A 8.14 4.07 1.44 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 0.00 0.00 61 F 8.50 3.98 0.00 3.18 3.19 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 62 T 8.14 3.92 4.31 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 1.25 0.00 0.00 63 K 8.34 3.91 0.00 1.93 1.99 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.46 7.81 64 K 8.13 3.78 0.00 2.05 1.60 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.56 7.81 65 M 7.69 3.81 0.00 2.04 1.79 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 2.50 2.53 0.00 66 V 8.02 3.81 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 0.88 0.00 0.00 1.02 0.00 0.00 67 E 8.28 4.04 0.00 2.01 1.99 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 2.34 2.38 0.00 68 N 7.96 4.58 0.00 2.78 2.81 0.00 0.00 6.98 7.40 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 69 A 7.27 4.50 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 70 K 8.97 4.20 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.37 7.81 71 K 8.42 4.75 0.00 1.78 1.83 0.00 1.25 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.40 7.81 72 I 8.39 5.06 2.00 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 1.33 1.22 0.84 0.00 0.00 73 E 9.11 5.15 0.00 1.91 1.80 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 2.18 2.24 0.00 74 V 9.02 4.68 1.32 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 -0.03 0.00 0.00 0.44 0.00 0.00 75 E 8.89 4.92 0.00 2.19 2.30 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 2.48 2.40 0.00 76 F 8.87 4.75 0.00 3.08 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 77 D 8.52 4.98 0.00 2.71 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 78 K 8.71 4.41 0.00 1.92 1.97 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.42 7.81 79 G 8.36 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 80 Q 8.57 4.11 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 81 R 8.38 4.45 0.00 1.61 1.43 0.00 2.73 0.00 0.00 2.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 82 T 7.65 5.51 4.18 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 1.12 0.00 0.00 83 D 8.15 4.80 0.00 2.92 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 84 K 8.37 3.97 0.00 1.53 1.78 0.00 1.10 0.00 0.00 1.47 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 0.42 7.81 85 Y 7.96 4.21 0.00 3.12 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 86 G 8.53 3.90 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 0.00 0.00 0.00 87 R 8.31 4.28 0.00 2.00 1.85 0.00 3.09 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 88 G 8.32 3.30 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 89 L 8.90 5.26 0.00 1.55 1.64 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.37 4.48 0.94 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 91 Y 8.80 4.83 0.00 2.98 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 92 I 8.40 4.77 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.46 0.86 0.00 0.00 93 Y 9.11 5.10 0.00 2.87 2.82 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 0.00 0.00 0.00 94 A 9.08 4.88 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 95 D 9.72 4.39 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 96 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 97 K 7.80 4.52 0.00 2.05 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.39 7.81 98 M 8.54 4.00 0.00 1.94 1.68 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.41 0.00 99 V 8.68 3.64 2.04 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 1.03 0.00 0.00 0.95 0.00 0.00 100 N 8.07 4.31 0.00 2.92 2.93 0.00 0.00 7.00 7.97 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 0.00 101 E 8.13 3.92 0.00 2.02 1.95 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 2.30 2.33 0.00 102 A 8.08 4.06 1.64 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 0.00 0.00 103 L 7.95 3.53 0.00 1.83 1.62 1.02 0.72 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 0.00 104 V 7.53 3.73 2.19 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 1.09 0.00 0.00 0.99 0.00 0.00 105 R 8.26 3.96 0.00 2.01 2.10 0.00 3.33 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 106 Q 7.41 4.34 0.00 1.68 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.46 0.00 0.00 0.00 0.00 0.00 2.31 1.83 0.00 107 G 7.98 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 0.00 0.00 0.00 108 L 7.74 4.55 0.00 1.35 1.52 0.45 0.44 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 0.00 109 A 7.48 4.74 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 0.00 110 K 8.33 4.86 0.00 1.67 1.73 0.00 1.54 0.00 0.00 1.29 0.00 0.00 2.61 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.07 7.81 111 V 8.97 4.24 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 0.76 0.00 0.00 0.96 0.00 0.00 112 A 9.17 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.28 3.16 0.00 3.03 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 0.00 114 V 7.09 3.73 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 0.81 0.00 0.00 0.88 0.00 0.00 115 Y 7.99 4.89 0.00 3.08 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 0.00 116 K 8.76 4.39 0.00 1.81 1.80 0.00 1.80 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.43 7.81 117 P 0.00 4.72 0.00 2.22 2.17 0.00 3.80 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 1.99 2.01 0.00 118 N 8.08 4.97 0.00 3.01 2.89 0.00 0.00 7.03 7.69 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 0.00 119 N 7.65 5.18 0.00 2.87 3.00 0.00 0.00 6.12 7.45 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 0.00 120 T 8.60 3.84 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 1.08 0.00 0.00 121 H 8.21 4.86 0.00 2.93 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.52 4.00 0.00 2.14 2.05 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 2.33 2.39 0.00 123 Q 8.05 3.97 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.23 4.10 0.00 3.22 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.07 4.00 0.00 1.79 1.73 1.08 0.81 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 0.00 126 R 8.23 3.94 0.00 1.98 1.95 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 127 K 8.27 4.00 0.00 1.98 2.03 0.00 1.15 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.75 7.81 128 S 7.84 4.10 0.00 3.92 3.90 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 0.00 129 E 8.41 3.98 0.00 2.16 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 0.00 2.25 2.61 0.00 130 A 7.95 3.75 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 0.00 131 Q 7.86 3.78 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 132 A 7.88 3.97 1.56 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 0.00 0.00 133 K 7.76 3.24 0.00 1.34 1.39 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.61 0.21 7.81 134 K 7.71 3.89 0.00 1.89 1.83 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.42 7.81 135 E 8.27 4.19 0.00 1.94 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 2.31 2.47 0.00 136 K 7.85 4.27 0.00 1.87 2.00 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.50 7.81 137 L 8.38 4.27 0.00 1.75 1.66 0.90 0.98 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 0.00 138 N 9.36 3.39 0.00 2.50 1.42 0.00 0.00 7.04 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 4.00 3.16 1.23 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.05 -0.38 0.00 0.00 140 W 8.28 4.99 0.00 3.46 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 0.00 141 S 8.16 4.52 0.00 3.99 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