NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2259 8.1633 120.2786 54.7246 33.3104 174.2655 2 K 4.0473 8.4966 126.1866 56.1171 32.5217 175.6782 3 G 3.9729 8.5791 113.5594 44.6745 0.0000 172.1324 4 D 4.5796 8.4471 119.5579 54.3134 41.9768 177.1050 5 T 3.8681 8.8629 122.7640 66.8388 68.5236 176.6732 6 K 3.8550 8.1685 120.9701 59.1425 32.2027 178.7992 7 V 3.8980 8.6924 119.0562 66.2077 31.3901 177.9371 8 I 3.7276 7.7735 119.3628 64.6792 36.8869 178.1556 9 N 4.2813 8.1857 117.1131 56.3544 38.3089 177.1256 10 Y 4.0792 8.0972 118.1478 61.1182 38.0578 178.4137 11 L 3.9219 8.6844 120.2059 58.1532 41.7210 179.5250 12 N 4.3872 8.5156 116.5628 55.9705 38.3939 177.5018 13 K 3.8675 8.2392 121.4610 59.3762 32.3532 178.8539 14 L 3.8017 8.1988 119.6124 57.6705 41.4108 179.0269 15 L 3.9590 7.9102 120.5885 58.2823 41.8124 179.2812 16 G 3.6004 8.1049 105.4850 47.8383 0.0000 175.4005 17 N 4.3436 8.0262 118.8246 56.1768 38.5880 177.3166 18 E 4.0837 8.2881 119.8950 59.6036 29.1133 179.5233 19 L 4.2483 8.2688 118.7850 57.3582 41.5322 180.0295 20 V 3.6421 7.7144 112.4556 64.1790 31.4567 178.1081 21 A 3.8555 8.1276 120.5841 55.2492 18.2005 179.5706 22 I 3.7591 8.2222 118.4991 64.8365 37.2028 178.4881 23 N 4.3993 7.8212 115.9077 56.4350 38.4544 177.4076 24 Q 3.8476 8.3933 121.3598 59.2738 29.0924 177.9596 25 Y 4.3383 8.2367 117.9886 60.9432 37.9725 177.7771 26 F 3.7963 8.4665 121.6371 61.0806 39.4451 176.8616 27 L 3.9133 8.2484 119.9212 58.5009 41.8772 178.3386 28 H 3.7680 8.0978 115.8182 58.8816 28.6135 177.0793 29 A 4.1391 8.3565 122.5473 55.8330 18.1323 180.0085 30 R 3.7795 7.7108 115.3517 58.6779 30.0918 179.3295 31 M 3.3958 7.8185 119.4281 58.1772 31.8989 178.4673 32 F 4.6140 7.5865 118.2024 60.5667 39.0394 177.7449 33 K 3.9430 8.2855 119.2748 59.4774 31.8306 178.0276 34 N 4.2188 7.8420 116.0575 56.7946 38.9108 176.2656 35 W 4.7575 7.8220 116.5751 57.4570 29.2890 177.2920 36 G 4.0231 8.3260 107.9638 45.8464 0.0000 175.2150 37 L 4.4835 8.0332 121.8010 53.2340 38.0131 177.1436 38 K 3.8646 7.9622 122.6597 59.7974 32.5577 177.5852 39 R 3.9235 8.3111 119.1510 59.2833 29.9935 178.4450 40 L 4.1454 7.7766 118.3418 57.2938 41.6084 178.7527 41 N 4.4383 8.1335 116.8472 56.7352 38.9619 176.5188 42 D 4.3181 7.9978 120.2597 57.4355 40.9919 179.1099 43 V 3.3336 7.6369 118.3473 66.0899 31.5007 177.9399 44 E 3.7501 8.3065 118.3886 59.2795 29.2681 178.6144 45 Y 3.9034 8.1240 119.6931 61.2129 38.8792 178.1677 46 H 4.2052 8.2529 116.4259 58.3324 28.6823 177.5973 47 E 3.6824 7.7800 120.8958 58.6458 29.1724 178.7659 48 S 4.0977 8.0102 113.7820 61.5867 62.3651 176.2696 49 I 3.5533 7.2716 122.1459 64.4440 36.8251 177.8552 50 D 4.2748 7.8134 119.5353 57.7746 40.6469 179.1503 51 E 4.1868 8.2992 118.5990 59.4512 29.3534 179.3756 52 M 4.0619 8.0476 119.0384 58.3057 31.9956 178.8159 53 K 3.9412 8.1198 118.7451 59.6715 32.1894 179.1060 54 H 4.0904 8.2043 116.1916 58.8032 28.6349 177.5329 55 A 4.2472 8.3172 122.7464 55.3810 18.1378 178.9658 56 D 4.3133 8.2597 116.4350 57.7365 41.2439 178.8096 57 R 3.8540 7.9019 118.3092 59.4545 30.0233 178.5943 58 Y 4.3074 7.8073 116.4039 61.2657 37.8809 178.8753 59 I 3.7849 8.3031 121.0223 64.6090 37.2123 178.4633 60 E 4.0602 8.5605 119.6281 59.0476 29.2294 179.5015 61 R 4.0021 8.0970 118.9541 59.5515 30.2117 178.3009 62 I 3.7460 8.4400 119.9436 64.7146 37.1755 178.3612 63 L 4.0228 8.1526 119.4958 57.7093 41.2007 179.4444 64 F 4.3783 8.1726 119.7066 61.2913 39.7496 176.6641 65 L 4.3009 8.3697 117.2894 53.9952 40.9678 177.1410 66 E 3.6714 7.9825 117.4750 57.4681 27.2413 174.4460 67 G 3.9876 8.1617 108.6007 43.9696 0.0000 173.5011 68 L 4.5266 8.0414 119.1911 52.0329 42.0615 175.1457 69 P 4.3763 0.0000 0.0000 62.6004 31.7526 175.9354 70 N 4.7164 9.5641 122.2104 52.4002 38.7669 173.8756 71 L 4.6022 8.2954 124.2187 54.5500 42.3957 177.5885 72 Q 4.1082 8.6064 122.2662 58.2760 29.2952 175.9533 73 D 4.7139 8.0228 116.6227 52.7781 42.0739 175.3008 74 L 4.5841 8.2548 125.0516 52.7247 44.1141 176.5951 75 G 3.8065 8.4711 115.4070 44.8855 0.0000 171.7299 76 K 4.1078 8.3138 120.6846 55.7174 32.4617 176.6214 77 L 4.0898 8.3859 126.8689 54.3922 42.2638 176.0709 78 N 4.8217 8.6872 121.7070 51.9785 39.8738 174.2512 79 I 3.8820 8.5058 126.6276 63.9886 37.7676 177.8875 80 G 4.3542 8.1565 103.1918 45.4754 0.0000 172.8761 81 E 4.7247 8.7643 117.6258 56.0682 31.1471 176.0926 82 D 4.9124 7.6722 118.1169 50.3290 43.9753 175.8899 83 V 4.0292 8.5595 119.4495 66.5885 31.3377 177.6479 84 E 3.8343 8.1673 117.9672 59.4508 29.4506 178.0740 85 E 4.0131 8.5061 119.5051 59.5241 29.5873 178.6687 86 M 4.1242 8.3220 117.0539 58.1059 31.4915 178.5311 87 L 4.1535 8.5069 120.5421 57.7109 41.8202 179.5031 88 R 3.8931 8.5025 119.0347 59.3331 29.9962 178.5849 89 S 4.1196 8.1416 113.2021 61.3006 62.3599 175.7321 90 D 4.2286 8.1987 121.7073 57.2693 40.5155 178.4716 91 L 3.9986 8.2585 120.6367 58.3263 42.0501 178.9747 92 A 3.9910 8.0664 120.5975 54.9263 18.2590 179.4184 93 L 3.8896 7.8212 118.9708 58.2556 42.0770 179.1080 94 E 4.0461 8.4364 118.6479 59.4873 29.6027 179.1763 95 L 4.0173 8.1928 119.2007 58.1407 41.7242 179.4713 96 D 4.5180 8.4921 118.9623 57.2306 40.6419 179.0986 97 G 3.6301 8.3373 106.2157 47.6149 0.0000 175.7191 98 A 4.0179 8.3844 123.4728 54.6818 18.5047 179.3102 99 K 3.7767 7.9515 117.8309 60.0788 32.2869 178.5104 100 N 4.3807 8.1507 116.3012 56.4006 38.4687 177.4107 101 L 3.9967 8.1215 120.3438 57.9425 41.6227 179.6747 102 R 3.9168 8.4149 118.3742 59.2405 30.0365 178.8144 103 E 3.8647 8.0848 118.3105 59.2532 29.7009 178.7466 104 A 2.8280 7.7570 120.7601 54.7369 18.3405 179.7136 105 I 3.7595 7.8764 118.5890 64.4236 36.9453 178.8928 106 G 3.5961 7.5944 105.5625 47.8586 0.0000 174.8891 107 Y 4.1087 7.7297 121.1776 60.2306 38.9061 177.2081 108 A 3.8006 8.3436 122.2171 55.4514 18.5267 179.0817 109 D 4.0989 7.9281 116.3800 57.2867 41.0741 178.3063 110 S 4.2001 7.4887 113.0552 59.8812 63.3681 175.6989 111 V 3.9845 6.8421 114.0271 60.7360 31.6032 175.5148 112 H 2.7728 6.9763 113.8018 56.7106 26.9093 176.4487 113 D 4.5219 7.3228 121.2563 53.4627 37.7867 176.1970 114 Y 4.2827 7.4336 121.1533 60.6540 38.3810 178.0774 115 V 3.8040 7.8496 113.1234 64.0980 31.8430 178.4189 116 S 4.1624 8.3311 115.0057 61.5615 62.5984 176.6311 117 R 3.8794 8.1672 121.3069 59.4958 29.8396 177.9562 118 D 4.3094 8.4736 118.0782 57.6862 41.3351 177.7665 119 M 3.9807 8.2708 118.7981 59.0875 32.0795 178.1440 120 M 4.1277 8.2079 118.8088 58.3825 32.1389 178.7807 121 I 3.7310 8.1174 120.3433 64.2722 37.3097 178.3180 122 E 3.9548 8.1694 119.4602 59.4604 29.3192 179.4060 123 I 3.5364 7.5607 119.5723 64.2350 37.0613 178.1241 124 L 3.9443 8.2112 121.4801 58.2403 41.9941 178.8477 125 R 3.8807 8.1051 118.5149 59.7607 29.9658 178.2234 126 D 4.3581 7.9808 118.3263 57.3514 40.7350 178.6420 127 E 4.0030 8.2428 119.2630 59.2904 29.3749 178.9759 128 E 4.1231 8.6633 119.9993 58.9919 29.6942 179.0219 129 G 3.6833 7.9900 105.4254 48.2216 0.0000 175.2552 130 H 4.4306 8.1931 118.9692 58.6986 28.6761 177.8577 131 I 3.8101 8.3390 121.9348 64.5062 36.9376 177.7952 132 D 4.3812 8.4719 119.0070 57.2021 41.0312 178.2860 133 W 4.1138 8.4491 128.6327 60.4444 30.7247 177.8282 134 L 3.7723 8.4751 119.1292 57.9373 41.1474 179.3860 135 E 3.9092 8.4705 118.6112 59.6826 29.3177 179.6279 136 T 3.7869 7.9439 115.6425 66.5686 68.5399 176.4101 137 E 3.7561 7.6244 120.2921 59.4827 29.3180 179.3770 138 L 3.7776 7.8023 118.9212 58.0128 41.5594 179.5115 139 D 4.3797 8.1076 118.6324 57.2439 40.6537 178.6792 140 L 3.9636 8.1844 119.9231 57.8444 41.5866 179.5431 141 I 3.4127 7.4319 119.6517 64.4528 36.7340 178.5445 142 Q 3.9314 7.3511 116.1857 58.8078 28.6519 178.5444 143 K 4.1272 8.1625 118.9757 59.1279 32.2707 178.5574 144 M 4.3665 8.3651 114.8051 54.1596 32.3965 177.4115 145 G 4.0886 7.5690 104.9470 45.8143 0.0000 174.4209 146 L 3.9623 8.3601 120.6426 58.0137 42.1606 179.1846 147 Q 3.9941 8.0390 117.4488 59.2940 28.8046 178.4740 148 N 4.3462 8.1866 116.7919 56.4274 38.3528 176.6525 149 Y 3.9505 7.8973 119.9793 60.6799 39.1377 177.8795 150 L 4.0950 8.3638 120.2063 57.9412 41.6387 179.2645 151 Q 3.8999 8.2066 119.1661 59.0704 28.7308 177.8724 152 A 4.1000 7.6402 119.8637 53.6192 18.6157 178.2522 153 Q 4.3269 7.8425 115.9576 55.6091 29.1633 177.5716 154 I 3.8909 7.3783 122.0732 63.3704 37.4316 176.6246 155 R 4.6545 7.5507 117.9749 53.7210 32.3312 175.6209 156 E 4.1273 8.7150 118.7964 56.6668 29.6054 176.6505 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 8.16 4.23 0.00 1.50 1.75 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 2 K 8.50 4.05 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.58 3.97 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 0.00 0.00 0.00 4 D 8.45 4.58 0.00 2.77 2.62 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 5 T 8.86 3.87 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 1.18 0.00 0.00 6 K 8.17 3.85 0.00 1.72 1.96 0.00 1.43 0.00 0.00 0.97 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.79 1.01 7.81 7 V 8.69 3.90 2.34 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 1.14 0.00 0.00 1.19 0.00 0.00 8 I 7.77 3.73 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.92 0.00 0.00 9 N 8.19 4.28 0.00 2.59 2.69 0.00 0.00 7.08 7.03 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 10 Y 8.10 4.08 0.00 3.31 2.92 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 11 L 8.68 3.92 0.00 2.03 1.80 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.52 4.39 0.00 2.88 2.82 0.00 0.00 6.70 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 13 K 8.24 3.87 0.00 1.81 1.97 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.20 3.80 0.00 1.00 1.12 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.91 3.96 0.00 1.67 1.83 1.02 1.08 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 16 G 8.10 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.03 4.34 0.00 2.98 2.91 0.00 0.00 7.04 7.82 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 18 E 8.29 4.08 0.00 2.26 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 2.74 2.88 0.00 19 L 8.27 4.25 0.00 1.66 1.73 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.71 3.64 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 0.87 0.00 0.00 0.95 0.00 0.00 21 A 8.13 3.86 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 22 I 8.22 3.76 2.04 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 1.55 1.08 0.90 0.00 0.00 23 N 7.82 4.40 0.00 2.92 2.86 0.00 0.00 6.74 7.86 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 24 Q 8.39 3.85 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 25 Y 8.24 4.34 0.00 3.23 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 26 F 8.47 3.80 0.00 3.42 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 27 L 8.25 3.91 0.00 1.96 1.58 0.89 0.89 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 28 H 8.10 3.77 0.00 3.54 3.20 0.00 5.72 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 29 A 8.36 4.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 3.78 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.00 31 M 7.82 3.40 0.00 0.91 1.64 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 2.39 2.13 0.00 32 F 7.59 4.61 0.00 3.29 3.24 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 33 K 8.29 3.94 0.00 1.97 1.87 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.84 4.22 0.00 2.68 2.69 0.00 0.00 7.35 7.64 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 35 W 7.82 4.76 0.00 3.76 3.18 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 0.00 36 G 8.33 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 37 L 8.03 4.48 0.00 2.20 1.68 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 3.86 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.31 3.92 0.00 2.00 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.78 4.15 0.00 1.70 1.12 1.13 0.32 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 41 N 8.13 4.44 0.00 3.14 3.00 0.00 0.00 7.10 8.36 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 42 D 8.00 4.32 0.00 2.88 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 43 V 7.64 3.33 1.76 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 -0.62 0.00 0.00 0.76 0.00 0.00 44 E 8.31 3.75 0.00 2.20 2.15 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 2.65 3.13 0.00 45 Y 8.12 3.90 0.00 2.96 3.03 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 46 H 8.25 4.21 0.00 3.23 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.78 3.68 0.00 1.16 1.12 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 0.00 1.93 2.03 0.00 48 S 8.01 4.10 0.00 3.96 3.84 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 49 I 7.27 3.55 1.85 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.85 0.00 0.00 50 D 7.81 4.27 0.00 2.84 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 51 E 8.30 4.19 0.00 2.17 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 0.00 2.69 2.79 0.00 52 M 8.05 4.06 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 53 K 8.12 3.94 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.20 4.09 0.00 3.56 3.48 0.00 5.65 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 55 A 8.32 4.25 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 56 D 8.26 4.31 0.00 2.92 2.87 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 57 R 7.90 3.85 0.00 1.82 1.76 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 58 Y 7.81 4.31 0.00 3.24 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 59 I 8.30 3.78 2.04 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 1.58 0.85 0.95 0.00 0.00 60 E 8.56 4.06 0.00 2.02 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 2.35 2.64 0.00 61 R 8.10 4.00 0.00 2.15 2.21 0.00 3.36 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 62 I 8.44 3.75 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.99 0.00 0.00 63 L 8.15 4.02 0.00 2.10 1.80 0.95 0.91 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 64 F 8.17 4.38 0.00 3.01 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 65 L 8.37 4.30 0.00 1.68 1.62 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.67 0.00 2.05 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 2.18 2.28 0.00 67 G 8.16 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 0.00 0.00 0.00 68 L 8.04 4.53 0.00 1.62 1.63 0.92 0.98 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 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 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 2.06 2.12 0.00 70 N 9.56 4.72 0.00 2.59 2.81 0.00 0.00 7.10 8.11 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 71 L 8.30 4.60 0.00 1.64 1.65 0.94 0.98 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 72 Q 8.61 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.02 4.71 0.00 2.68 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 74 L 8.25 4.58 0.00 1.52 1.50 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.47 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 76 K 8.31 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.39 4.09 0.00 1.64 1.56 0.95 0.97 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 78 N 8.69 4.82 0.00 2.63 2.70 0.00 0.00 7.24 8.04 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 79 I 8.51 3.88 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.94 0.00 0.00 80 G 8.16 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 0.00 0.00 0.00 0.00 81 E 8.76 4.72 0.00 2.00 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 2.29 2.32 0.00 82 D 7.67 4.91 0.00 2.77 2.68 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 83 V 8.56 4.03 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 1.21 0.00 0.00 1.24 0.00 0.00 84 E 8.17 3.83 0.00 2.02 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 2.32 2.25 0.00 85 E 8.51 4.01 0.00 2.25 2.15 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 2.35 2.35 0.00 86 M 8.32 4.12 0.00 2.35 1.77 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.96 0.00 87 L 8.51 4.15 0.00 2.00 1.78 1.24 0.62 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 88 R 8.50 3.89 0.00 2.10 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.14 4.12 0.00 4.07 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 90 D 8.20 4.23 0.00 3.12 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 91 L 8.26 4.00 0.00 1.81 1.89 0.98 1.06 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 92 A 8.07 3.99 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 93 L 7.82 3.89 0.00 1.90 1.81 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.44 4.05 0.00 2.27 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 0.00 2.61 2.72 0.00 95 L 8.19 4.02 0.00 2.02 1.75 0.96 1.43 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 96 D 8.49 4.52 0.00 2.70 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 97 G 8.34 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.38 4.02 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 99 K 7.95 3.78 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 100 N 8.15 4.38 0.00 2.99 2.92 0.00 0.00 7.15 6.74 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 0.00 101 L 8.12 4.00 0.00 2.00 1.74 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.41 3.92 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.08 3.86 0.00 2.08 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 0.00 2.38 2.38 0.00 104 A 7.76 2.83 1.04 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 0.00 0.00 105 I 7.88 3.76 2.03 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 1.46 0.90 0.91 0.00 0.00 106 G 7.59 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.73 4.11 0.00 3.18 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 0.00 108 A 8.34 3.80 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.10 0.00 2.85 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 S 7.49 4.20 0.00 3.96 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 0.00 111 V 6.84 3.98 1.94 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 0.60 0.00 0.00 0.62 0.00 0.00 112 H 6.98 2.77 0.00 3.19 3.31 0.00 5.84 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 0.00 113 D 7.32 4.52 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.43 4.28 0.00 3.10 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 0.00 115 V 7.85 3.80 2.14 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 0.92 0.00 0.00 0.98 0.00 0.00 116 S 8.33 4.16 0.00 4.16 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 0.00 117 R 8.17 3.88 0.00 1.95 2.20 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.47 4.31 0.00 2.94 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 0.00 119 M 8.27 3.98 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.21 4.13 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.78 0.00 121 I 8.12 3.73 1.88 0.00 0.00 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 1.53 0.86 0.91 0.00 0.00 122 E 8.17 3.95 0.00 2.13 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 2.32 2.34 0.00 123 I 7.56 3.54 1.94 0.00 0.00 0.37 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 0.61 0.70 0.00 0.00 124 L 8.21 3.94 0.00 1.83 1.85 0.95 0.80 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 0.00 125 R 8.11 3.88 0.00 2.02 2.15 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 7.98 4.36 0.00 3.03 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 0.00 127 E 8.24 4.00 0.00 2.16 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 2.58 2.52 0.00 128 E 8.66 4.12 0.00 2.25 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 2.34 2.36 0.00 129 G 7.99 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 0.00 0.00 0.00 130 H 8.19 4.43 0.00 3.65 3.59 0.00 5.65 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 0.00 131 I 8.34 3.81 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.95 0.97 0.00 0.00 132 D 8.47 4.38 0.00 2.96 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 0.00 133 W 8.45 4.11 0.00 3.55 3.48 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 0.00 134 L 8.48 3.77 0.00 1.97 1.75 1.30 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.47 3.91 0.00 2.19 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 2.33 2.48 0.00 136 T 7.94 3.79 4.20 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 1.17 0.00 0.00 137 E 7.62 3.76 0.00 1.54 1.65 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 1.47 1.47 0.00 138 L 7.80 3.78 0.00 1.70 1.62 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.11 4.38 0.00 2.78 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 0.00 140 L 8.18 3.96 0.00 1.88 1.85 0.97 0.68 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 0.00 141 I 7.43 3.41 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 0.69 0.00 0.00 142 Q 7.35 3.93 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 143 K 8.16 4.13 0.00 1.70 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.37 4.37 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 145 G 7.57 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 0.00 0.00 0.00 146 L 8.36 3.96 0.00 1.74 1.66 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.04 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.19 4.35 0.00 2.97 2.89 0.00 0.00 6.65 7.48 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 0.00 149 Y 7.90 3.95 0.00 3.05 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 0.00 150 L 8.36 4.09 0.00 2.04 1.71 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.21 3.90 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.64 4.10 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 0.00 153 Q 7.84 4.33 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 154 I 7.38 3.89 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.65 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.10 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 2.26 2.29 0.00