NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4740 8.3231 116.7971 57.6880 64.6061 172.9609 5 G 4.0177 7.6394 106.1177 44.4667 0.0000 172.0783 6 R 4.6153 8.4301 119.3306 53.7385 34.5321 174.2336 7 F 4.3481 8.7503 123.4892 57.7131 38.5713 174.3162 8 S 4.5289 7.9175 121.6016 55.1095 65.1681 173.2866 9 I 4.3127 7.4151 125.7210 59.2440 39.4257 175.0922 10 K 4.9236 8.2818 124.7458 55.1755 35.0970 175.2043 11 A 4.3847 8.4315 125.2273 50.9735 22.8460 176.6754 12 K 4.1894 8.7454 120.3249 58.4551 33.7548 176.2885 13 N 5.7942 7.9302 116.8575 51.6744 41.8920 173.6740 14 Y 5.3147 9.4843 118.8885 56.3573 42.9192 174.3019 15 F 5.6412 9.6399 121.2642 54.9238 42.2646 174.0574 16 L 4.8726 8.6203 123.5990 53.2523 44.0392 175.4351 17 T 4.9720 8.0588 119.6993 61.9630 71.7923 172.6183 18 Y 4.8602 8.8753 125.1416 55.3853 39.6151 173.2280 19 P 4.3491 0.0000 0.0000 62.9137 32.5546 176.4063 20 K 3.7755 7.7007 122.1654 57.4869 31.1350 173.8472 21 C 4.2388 7.6939 117.8276 57.7696 32.6787 172.9235 22 D 4.7040 8.0595 126.0377 54.1049 40.5403 176.1422 23 L 3.9894 6.7887 121.2553 54.9703 42.7062 177.4495 24 T 4.3251 8.0647 116.3095 60.6779 71.4491 176.2311 25 K 3.9075 8.3019 121.2933 59.7382 32.7094 179.0193 26 E 3.8672 7.9927 120.2588 59.2765 29.7307 178.3795 27 N 4.2911 8.1386 116.2985 56.3469 38.5683 177.4135 28 A 4.1097 8.0564 122.1902 54.7391 18.3556 179.5486 29 L 3.7479 8.3890 119.6996 58.2645 42.1174 179.1844 30 S 3.9804 8.4257 113.4255 61.3566 62.0634 176.1559 31 Q 3.9034 8.5073 121.0147 59.0337 28.2897 178.7716 32 I 3.6733 7.9603 119.7297 64.8058 37.2533 178.4741 33 T 3.5595 7.9488 115.4277 66.1632 68.2384 175.8508 34 N 4.6553 7.9278 116.7855 53.1564 38.9272 175.3267 35 L 4.1223 7.2130 121.6090 54.4790 41.7891 177.1757 36 Q 4.3412 8.6273 122.9768 55.9726 29.6553 174.9768 37 T 4.0941 7.6500 112.6396 59.8626 70.2419 171.9799 38 P 4.4906 0.0000 0.0000 64.0171 33.4169 176.3710 39 T 4.2280 7.5998 111.8211 61.5662 67.3108 175.8162 40 N 4.5494 7.2058 113.4078 52.7295 43.4875 172.2369 41 K 4.0348 8.9446 125.5476 56.5965 33.0598 174.7539 42 L 4.4211 8.8249 125.0536 54.2248 42.8115 175.9823 43 F 5.4349 8.3580 121.4104 57.3390 43.3050 175.0638 44 I 4.8052 8.0757 123.9726 59.7383 41.3058 173.8742 45 K 4.7754 9.4064 129.4897 54.4959 34.8524 174.6987 46 I 5.0223 8.4772 127.6051 59.7552 40.2034 174.0169 47 C 5.1489 9.1691 127.4514 57.4729 34.7334 172.5965 48 R 4.7900 8.6125 125.5471 55.2066 31.5916 174.9140 49 E 4.7738 8.8073 125.2554 54.7473 33.5202 173.5881 50 L 4.9244 8.2812 126.4758 53.6551 43.4280 176.4612 51 H 4.6676 9.0422 120.8595 55.2006 29.5753 176.0500 52 E 4.1947 8.5761 121.4757 57.9371 29.6610 177.0160 53 N 4.5418 8.0890 114.1617 54.0801 38.9248 175.8691 54 G 3.9495 8.0968 107.2356 44.9712 0.0000 173.0187 55 E 4.6637 7.7069 118.4868 53.9774 32.2102 173.5179 56 P 4.6118 0.0000 0.0000 63.0166 32.7238 174.6220 57 H 5.3520 9.0084 124.3083 54.1039 33.1827 172.5354 58 L 4.9795 8.2706 123.9995 53.5708 45.5738 174.7347 59 H 5.7499 9.2849 122.7012 54.3497 32.3412 173.1047 60 I 5.3370 8.7683 121.0788 59.8337 42.2682 174.2115 61 L 4.2884 9.6319 127.3771 53.6396 45.0451 174.9642 62 I 5.1332 8.6969 127.5490 59.4234 41.2625 174.9825 63 Q 5.0036 8.5049 121.9861 54.7841 31.2296 174.4989 64 F 4.9736 9.5640 123.5951 56.1657 40.0470 176.0167 65 E 4.0531 9.1228 122.4567 58.5223 29.6677 177.1253 66 G 4.3648 7.7477 103.1657 43.4887 0.0000 172.7836 67 K 4.3007 8.7521 119.7659 57.0662 32.7702 176.0089 68 Y 4.5089 9.1621 127.8701 56.7078 40.4235 173.8079 69 N 4.6056 8.7237 125.2322 52.2022 39.3669 174.6503 70 C 4.1008 8.5804 130.8427 57.4130 30.3687 173.5763 71 T 4.1193 7.1566 113.1130 60.2982 68.2567 173.4232 72 N 5.1152 8.0779 117.5002 52.7721 41.5102 173.9964 73 Q 5.0223 8.6450 126.8643 56.9900 29.2983 176.6643 74 R 5.4560 7.9135 115.7041 55.4914 32.6824 177.4005 75 F 4.4368 7.9376 119.3530 60.9389 39.4021 175.8358 76 F 4.3330 8.0274 116.2703 57.4477 38.8903 175.0166 77 D 4.5659 7.8958 121.8825 54.9513 41.3822 174.8757 78 L 5.2497 8.5320 124.3513 52.3329 44.1226 176.4830 79 V 4.3720 8.3291 114.9129 59.1784 35.4821 175.0341 80 S 4.5640 8.4378 117.7524 57.0283 62.4094 173.0325 81 P 4.5372 0.0000 0.0000 64.0963 31.5075 176.6165 82 T 4.4747 7.4241 107.4936 61.5879 70.4698 174.4449 83 R 4.6002 7.3822 120.5661 54.3638 33.5512 175.3361 84 S 4.4252 8.5318 118.8791 58.0834 61.4723 173.5710 85 A 4.6993 7.3495 122.6823 50.5039 22.7193 176.1024 86 H 4.7484 8.5318 117.7866 53.9178 31.4462 174.1342 87 F 5.1226 9.0073 119.9124 56.0882 42.6400 173.7007 88 H 5.2321 9.0845 123.6574 53.8067 30.3716 171.9934 89 P 4.4581 0.0000 0.0000 62.3081 32.7813 175.2018 90 N 4.6353 8.5520 120.2381 52.7930 40.0201 173.8496 91 I 4.4590 8.4237 127.5656 60.7572 38.6724 175.4156 92 Q 4.6135 9.0357 124.7308 54.1132 33.0297 174.4043 93 G 3.7988 8.7747 110.9918 44.8834 0.0000 173.0315 94 A 4.4955 8.8641 129.9736 50.2802 19.3374 177.4146 95 K 4.4483 8.6729 126.4621 56.5033 31.9000 175.8834 96 S 4.7465 9.0973 112.1362 55.8567 63.6462 173.5298 97 S 5.5211 8.0196 128.2788 58.0142 64.6524 177.6318 98 S 4.2078 8.1030 119.5824 59.7950 62.9145 175.7542 99 D 4.2562 8.2988 121.3485 57.5932 40.5639 178.8080 100 V 3.8236 7.4613 112.6370 64.2350 31.5818 178.3226 101 K 3.4834 8.5468 119.9088 59.2995 31.8684 178.9423 102 S 4.0753 8.0018 114.9760 61.9871 62.6273 176.0502 103 Y 4.1570 7.9556 120.6154 60.6119 38.5636 177.5566 104 I 3.7040 7.8596 120.7070 64.2734 37.2619 177.6537 105 D 4.4216 8.3654 118.1348 56.2287 42.3931 177.7833 106 K 4.3547 7.1960 120.3479 55.0854 28.4970 175.3330 107 D 4.4295 7.5114 121.2462 51.9407 41.4884 175.0049 108 G 3.1132 9.9040 104.6552 45.2197 0.0000 173.0603 109 D 4.4331 8.5949 128.2506 55.1529 38.2159 174.0966 110 V 4.6143 7.6265 109.3922 59.5793 36.3257 174.7217 111 L 4.7587 8.4779 123.5179 53.6246 44.2939 174.8745 112 E 4.9600 8.6666 123.6923 54.3201 32.8047 175.0022 113 W 4.7951 8.3519 133.0309 56.5769 34.8056 175.8740 114 G 4.3901 7.3977 114.8294 44.8244 0.0000 172.5665 115 T 4.8784 8.2727 114.4069 61.5235 70.9407 174.2870 116 F 4.8442 8.5030 128.1142 57.1301 40.1898 174.5186 117 Q 4.5147 7.5865 122.9221 54.6631 31.1490 174.1732 118 I 4.1886 8.3852 123.6418 60.2820 38.2080 174.7262 119 D 4.5346 8.9451 125.2885 52.8852 42.1018 176.0911 120 G 3.7694 7.6019 113.1856 44.6003 0.0000 173.2389 121 R 4.1442 8.0641 121.0574 56.6720 30.3260 175.6588 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 4 S 8.32 4.47 0.00 3.88 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 5 G 7.64 4.02 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 0.00 0.00 0.00 6 R 8.43 4.62 0.00 1.78 1.83 0.00 3.23 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 7 F 8.75 4.35 0.00 3.11 2.96 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 8 S 7.92 4.53 0.00 3.84 3.69 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 9 I 7.42 4.31 2.05 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.17 0.88 0.00 0.00 10 K 8.28 4.92 0.00 1.50 1.64 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.50 7.81 11 A 8.43 4.38 0.99 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 0.00 0.00 12 K 8.75 4.19 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.84 7.81 13 N 7.93 5.79 0.00 2.85 2.81 0.00 0.00 7.20 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 14 Y 9.48 5.31 0.00 3.29 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 15 F 9.64 5.64 0.00 2.87 2.85 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 16 L 8.62 4.87 0.00 1.52 0.99 -0.41 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.06 4.97 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 1.21 0.00 0.00 18 Y 8.88 4.86 0.00 2.86 2.83 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 19 P 0.00 4.35 0.00 2.08 2.06 0.00 3.91 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 1.98 1.94 0.00 20 K 7.70 3.78 0.00 2.06 1.83 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.34 7.81 21 C 7.69 4.24 0.00 3.09 2.66 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 22 D 8.06 4.70 0.00 2.57 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 23 L 6.79 3.99 0.00 1.27 1.21 1.07 1.00 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 24 T 8.06 4.33 4.19 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 1.21 0.00 0.00 25 K 8.30 3.91 0.00 1.96 2.05 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.45 7.81 26 E 7.99 3.87 0.00 2.03 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 2.37 2.39 0.00 27 N 8.14 4.29 0.00 2.79 2.84 0.00 0.00 6.96 7.04 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 28 A 8.06 4.11 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 29 L 8.39 3.75 0.00 1.66 1.87 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.43 3.98 0.00 3.87 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 31 Q 8.51 3.90 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 32 I 7.96 3.67 1.88 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 0.90 0.00 0.00 33 T 7.95 3.56 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 0.51 0.00 0.00 34 N 7.93 4.66 0.00 2.79 2.82 0.00 0.00 6.92 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 35 L 7.21 4.12 0.00 1.61 1.39 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.63 4.34 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 37 T 7.65 4.09 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 1.30 0.00 0.00 38 P 0.00 4.49 0.00 2.17 2.07 0.00 3.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 39 T 7.60 4.23 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 0.97 0.00 0.00 40 N 7.21 4.55 0.00 2.84 2.65 0.00 0.00 7.59 7.13 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 41 K 8.94 4.03 0.00 1.59 1.52 0.00 1.93 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.84 1.51 7.81 42 L 8.82 4.42 0.00 1.85 1.50 0.97 0.62 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 43 F 8.36 5.43 0.00 3.18 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 44 I 8.08 4.81 1.83 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.76 0.79 0.00 0.00 45 K 9.41 4.78 0.00 2.07 1.89 0.00 1.52 0.00 0.00 1.87 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.40 7.81 46 I 8.48 5.02 1.87 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 1.14 0.55 0.90 0.00 0.00 47 C 9.17 5.15 0.00 2.98 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 48 R 8.61 4.79 0.00 1.84 1.79 0.00 3.21 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 49 E 8.81 4.77 0.00 2.21 1.85 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 2.34 2.50 0.00 50 L 8.28 4.92 0.00 1.56 1.59 0.91 1.55 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 51 H 9.04 4.67 0.00 3.39 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.58 4.19 0.00 1.92 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 2.29 2.33 0.00 53 N 8.09 4.54 0.00 2.83 2.85 0.00 0.00 7.28 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 54 G 8.10 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 0.00 0.00 0.00 55 E 7.71 4.66 0.00 2.04 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 0.00 2.35 2.28 0.00 56 P 0.00 4.61 0.00 2.07 2.19 0.00 3.61 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 2.00 1.92 0.00 57 H 9.01 5.35 0.00 2.52 3.10 0.00 5.53 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.27 4.98 0.00 1.50 1.45 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.28 5.75 0.00 3.24 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.77 5.34 2.23 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.29 1.00 0.00 0.00 61 L 9.63 4.29 0.00 1.45 1.72 1.13 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.70 5.13 1.88 0.00 0.00 1.00 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 0.52 0.50 0.00 0.00 63 Q 8.50 5.00 0.00 2.13 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 64 F 9.56 4.97 0.00 3.13 3.15 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 65 E 9.12 4.05 0.00 2.00 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 0.00 2.34 2.43 0.00 66 G 7.75 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 67 K 8.75 4.30 0.00 1.68 1.83 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.48 7.81 68 Y 9.16 4.51 0.00 2.18 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 69 N 8.72 4.61 0.00 2.68 2.59 0.00 0.00 6.77 7.52 0.00 0.00 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 C 8.58 4.10 0.00 1.65 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 71 T 7.16 4.12 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 1.17 0.00 0.00 72 N 8.08 5.12 0.00 2.87 2.69 0.00 0.00 7.10 7.16 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 73 Q 8.65 5.02 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.93 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 74 R 7.91 5.46 0.00 1.81 1.96 0.00 3.27 0.00 0.00 3.81 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 75 F 7.94 4.44 0.00 2.91 2.94 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 76 F 8.03 4.33 0.00 3.11 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 77 D 7.90 4.57 0.00 2.73 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 78 L 8.53 5.25 0.00 1.86 1.73 1.30 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.33 4.37 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 0.18 0.00 0.00 0.81 0.00 0.00 80 S 8.44 4.56 0.00 4.19 4.04 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 81 P 0.00 4.54 0.00 2.22 2.15 0.00 3.83 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 82 T 7.42 4.47 4.26 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 1.23 0.00 0.00 83 R 7.38 4.60 0.00 1.80 1.86 0.00 3.35 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 84 S 8.53 4.43 0.00 3.86 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 85 A 7.35 4.70 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 86 H 8.53 4.75 0.00 2.88 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.01 5.12 0.00 3.10 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 88 H 9.08 5.23 0.00 3.13 3.28 0.00 5.92 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.46 0.00 1.49 0.96 0.00 3.98 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 90 N 8.55 4.64 0.00 2.69 2.69 0.00 0.00 7.48 7.70 0.00 0.00 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 I 8.42 4.46 2.24 0.00 0.00 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 1.34 0.93 1.29 0.00 0.00 92 Q 9.04 4.61 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 93 G 8.77 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 94 A 8.86 4.50 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 95 K 8.67 4.45 0.00 1.73 1.62 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 96 S 9.10 4.75 0.00 3.89 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 97 S 8.02 5.52 0.00 4.09 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 98 S 8.10 4.21 0.00 3.88 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 99 D 8.30 4.26 0.00 2.80 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 0.00 100 V 7.46 3.82 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 0.95 0.00 0.00 1.00 0.00 0.00 101 K 8.55 3.48 0.00 1.55 1.76 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 1.52 7.81 102 S 8.00 4.08 0.00 4.01 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 0.00 103 Y 7.96 4.16 0.00 2.97 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 0.00 104 I 7.86 3.70 1.75 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.92 0.70 0.00 0.00 105 D 8.37 4.42 0.00 2.73 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 0.00 106 K 7.20 4.35 0.00 1.82 1.72 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 107 D 7.51 4.43 0.00 2.76 2.81 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 0.00 108 G 9.90 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 0.00 0.00 0.00 109 D 8.59 4.43 0.00 2.84 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 0.00 110 V 7.63 4.61 2.28 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 0.70 0.00 0.00 0.89 0.00 0.00 111 L 8.48 4.76 0.00 1.73 1.49 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.67 4.96 0.00 1.85 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 2.30 2.30 0.00 113 W 8.35 4.80 0.00 3.26 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 0.00 114 G 7.40 4.39 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 0.00 115 T 8.27 4.88 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 1.24 0.00 0.00 116 F 8.50 4.84 0.00 1.51 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 0.00 0.00 0.00 117 Q 7.59 4.51 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.58 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 118 I 8.39 4.19 1.94 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 1.49 0.86 0.98 0.00 0.00 119 D 8.95 4.53 0.00 2.62 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 0.00 120 G 7.60 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 0.00 121 R 8.06 4.14 0.00 1.72 1.73 0.00 3.28 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00