NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3583 8.3027 116.7525 56.0084 32.4631 177.6753 7 V 3.4888 7.6363 119.1550 64.9485 31.3301 176.3593 8 A 3.9409 8.0562 120.4649 55.1996 18.7662 178.6739 9 Q 3.8725 8.0451 117.6504 59.2509 29.0284 178.6518 10 V 3.5120 7.9425 118.9585 65.9487 31.6601 177.8928 11 A 3.8760 7.9716 120.5085 55.0210 18.1223 179.1797 12 Q 3.8486 8.2772 118.3517 59.6280 29.0454 178.9706 13 S 4.0644 8.2218 115.7971 61.4502 62.7939 176.4354 14 A 3.9576 8.0951 123.5466 55.3498 18.0333 179.8665 15 I 3.2094 7.6404 118.0822 64.4454 37.1743 178.4360 16 D 4.3919 8.2762 119.9618 57.3645 40.6132 178.6119 17 D 4.3592 8.4372 119.7544 57.2248 40.7621 178.3252 18 F 3.9241 8.3661 121.2652 61.6066 39.3290 176.9915 19 N 4.4499 8.6859 115.7953 56.1915 38.4148 177.1916 20 A 4.0372 8.1921 121.9800 55.3721 18.4452 179.6472 21 A 3.9629 8.0620 119.1212 54.9986 18.3175 179.3217 22 Y 3.7999 8.2132 118.7975 60.7538 38.9092 178.4089 23 G 3.6115 8.3970 106.7139 47.9383 0.0000 175.6774 24 L 4.0374 7.9022 121.4048 57.2998 41.6074 178.9302 25 C 3.9530 8.1764 118.9709 62.6302 31.4514 175.8637 26 L 3.8327 7.4575 119.9524 57.8685 40.9843 179.2646 27 D 4.4487 7.9496 117.7631 57.2086 40.8664 177.8100 28 D 4.4670 8.2673 117.1683 53.9582 41.0975 175.7003 29 D 4.3182 7.6967 117.9810 55.6588 40.8789 175.0313 30 R 4.3777 7.6811 114.9762 54.9684 27.0018 177.0371 31 L 4.0423 7.5236 120.7576 57.7045 42.0401 179.1993 32 E 4.0592 8.1525 117.5148 59.2256 29.5784 178.5220 33 Q 4.1230 8.2792 119.5753 58.1603 29.1169 177.7823 34 W 4.1867 8.1853 129.9020 60.1926 30.9021 176.2293 35 P 3.8420 0.0000 0.0000 65.2917 30.5362 178.3950 36 T 4.0904 7.5795 107.2804 63.8101 68.9520 175.7009 37 L 4.3781 7.9769 121.0690 54.8168 41.8462 176.0560 38 F 5.1719 7.2318 117.0328 55.2445 41.5843 175.6551 39 V 4.0012 8.2492 116.7798 61.0269 32.4304 176.8806 40 D 4.3867 8.7174 120.6283 57.5355 41.1290 176.8621 41 D 4.9723 7.7626 119.3059 52.7603 39.5006 173.5645 42 C 5.0336 7.4787 116.6991 56.1327 33.5299 174.1091 43 L 4.7592 8.6292 119.8941 53.5394 45.0361 174.1621 44 Y 5.3809 9.0141 127.9082 55.8288 41.7062 174.1427 45 Q 4.7069 8.5512 123.3159 54.6713 33.0547 173.8460 46 V 5.0134 8.3946 119.7405 61.2310 34.5182 174.1096 47 I 5.0942 9.0770 121.2917 58.7476 41.2501 174.9948 48 A 3.1775 8.3413 127.6338 51.4948 19.1653 178.0918 49 R 3.7854 8.4475 123.1676 59.6344 29.8488 178.9505 50 E 4.0075 7.9312 116.2612 59.0826 29.7505 178.5116 51 N 4.4586 7.9834 115.8370 55.2616 38.8158 176.5554 52 V 4.1552 7.3669 116.6091 63.1771 31.0287 175.8707 53 D 4.8577 7.5536 115.4503 53.5054 42.8114 176.1561 54 N 4.5555 7.7011 116.5956 52.6155 39.0832 175.4774 55 G 3.8285 8.7137 110.1126 48.1674 0.0000 173.7354 56 L 4.5481 7.3499 118.4799 51.4478 42.0735 172.0108 57 P 4.2167 0.0000 0.0000 62.1657 31.2288 176.2298 58 A 4.0628 8.4738 127.3398 51.7197 18.7907 176.1189 59 A 4.6842 8.4215 125.4748 50.5820 20.3723 176.7156 60 V 4.0883 8.5496 122.8514 63.4593 32.2584 174.9436 *62 Y 4.6551 7.8681 119.1410 57.2485 39.7694 173.8568 63 C 4.7299 8.8873 124.1732 57.8007 32.2620 174.2419 64 D 4.8276 8.4463 122.6175 52.4198 39.4072 175.4936 65 S 4.4981 7.2793 111.8795 57.5066 65.4741 174.4861 66 K 3.7964 8.7265 122.7906 59.3837 32.1067 179.7493 67 G 3.8585 7.5283 105.5457 46.1436 0.0000 175.1298 *69 L 4.1382 8.1530 120.4681 54.3895 43.5438 179.2943 70 A 4.0582 8.1125 120.3704 55.1938 18.2086 179.2636 71 D 4.3124 8.4214 117.7728 57.5420 40.8467 179.1071 72 R 3.9182 7.9922 118.5957 59.3993 30.1758 178.5628 73 V 3.5634 7.7669 117.5703 65.9396 31.4744 177.9321 74 V 3.5605 8.0439 117.9301 66.1584 31.2555 177.8469 75 A 3.9930 8.0846 120.2487 55.1986 18.0620 179.6028 76 L 3.9220 8.1362 117.5798 57.8808 41.4135 180.0744 77 R 3.9826 7.9615 117.2970 59.0095 30.1273 178.6778 78 K 4.0489 8.2319 118.2274 58.5627 33.5857 177.5070 79 A 4.5852 7.9045 123.8203 51.2352 18.0831 176.8134 80 N 4.7378 7.4850 118.2428 51.6500 38.8396 176.0583 *85 H 4.4599 8.2556 115.3693 56.0402 30.1475 172.6051 86 F 5.3049 8.4036 119.5288 56.1981 40.8406 174.9295 87 N 5.5862 8.9430 120.4687 51.7113 41.6803 174.3741 88 R 4.8155 9.0497 121.4661 55.5368 33.5904 173.2800 89 H 5.5244 10.2852 124.5474 54.5253 30.7245 174.5389 90 L 4.9684 9.1998 122.7130 53.0804 44.3567 175.3606 91 I 5.1238 8.5690 124.5165 59.2555 39.5581 175.9862 92 G 3.9571 9.3256 114.8544 45.5304 0.0000 173.3214 93 R 4.2217 8.5316 120.2627 56.1377 30.6792 175.9272 94 A 4.5027 9.0023 127.0777 51.8891 19.6450 177.0951 95 V 4.1842 8.8247 122.4340 61.1916 33.1474 175.0827 96 I 4.5201 8.4426 130.1612 61.6804 37.1514 176.1089 97 T 4.4644 8.4993 116.8320 61.3080 70.1438 174.6151 98 G 4.1027 7.4227 107.4363 45.9508 0.0000 172.7633 99 V 4.8271 8.4710 121.1920 61.2711 34.6169 174.9288 100 E 4.5356 9.1533 128.3350 54.8723 31.2043 177.8598 101 G 3.8216 8.1131 117.2962 46.8842 0.0000 171.9276 102 D 4.8051 8.8309 123.4085 52.7145 39.7334 174.5874 103 Q 5.0716 7.9813 119.6709 54.8475 31.0389 174.7560 104 V 4.6819 8.8071 124.3111 61.0189 34.8224 174.3660 105 S 5.2730 8.9449 122.4276 57.6220 65.2183 172.9492 106 A 5.2364 8.8173 122.5824 51.2455 23.2727 174.7700 107 E 5.8228 9.5231 117.2173 53.9236 34.4691 174.9932 108 A 5.0273 8.5018 123.2480 50.6321 23.0048 175.9647 109 S 4.7329 8.8803 118.5551 58.9260 64.5518 172.8299 110 Y 5.3614 8.1385 119.5300 55.8240 41.8826 173.8459 111 V 4.7115 8.9169 119.8880 61.2329 35.3777 174.0160 112 V 4.7091 9.0721 128.0480 61.4567 33.2749 174.3407 113 F 5.2423 9.5154 127.1872 56.1494 41.4521 174.7364 114 Q 5.0213 9.3055 122.8133 54.7053 32.9105 173.7663 115 T 5.0153 9.0807 122.3108 61.3532 71.5330 174.0193 116 R 4.8731 8.2902 129.1350 55.0334 32.8990 176.8744 117 N 4.2852 8.6319 114.6497 55.7921 37.5700 171.6980 118 D 4.4363 7.9455 115.2169 54.7709 39.7658 177.3864 119 G 3.9696 8.3172 108.6839 45.1974 0.0000 173.3795 120 E 4.2643 8.1648 120.2596 56.0688 30.3285 175.4792 121 T 4.9859 8.3956 120.0447 62.8105 69.5882 174.3416 122 R 4.8658 8.9641 124.8405 53.9896 34.7135 174.9926 123 I 3.9903 8.3676 121.7074 61.8813 36.9545 175.3817 124 Y 4.4150 8.8332 129.5990 59.7477 39.6405 175.5295 125 N 4.6517 7.8071 118.0507 52.3202 42.3917 172.4272 126 A 4.7235 8.3793 128.4078 50.4002 22.1182 176.0689 127 G 3.6712 6.7614 105.6330 46.0309 0.0000 172.0079 128 K 5.0344 8.0294 118.7127 55.2281 36.5811 175.5244 129 Y 4.9795 9.2363 121.5064 58.0545 39.5046 174.6759 130 V 4.8178 9.1239 124.2830 61.4557 34.0049 173.9270 131 D 5.4046 9.4161 127.9947 52.4190 45.0466 175.4905 132 R 4.6033 8.6516 120.1963 54.6523 33.0476 174.6807 133 F 4.8283 9.4659 123.7604 55.9582 41.7449 174.8130 134 D 5.0680 9.0027 123.1294 51.9895 42.3047 175.8495 135 L 5.3715 9.1078 126.2519 53.8177 42.4813 177.4433 136 S 4.4069 8.7227 115.1049 58.4867 63.8329 173.6480 137 G 3.9946 9.1338 106.7204 47.0174 0.0000 173.8555 138 G 4.0169 8.4988 103.0588 45.9838 0.0000 173.7460 139 T 4.6566 7.6439 108.0007 59.5614 72.0744 172.5314 140 V 4.7351 8.2811 120.6164 61.3620 33.6503 174.6347 141 R 4.9670 8.6317 125.7766 54.2718 35.0995 174.6078 142 L 3.7389 8.2920 122.6772 54.4852 42.2180 177.9086 143 K 4.0952 8.8895 126.7650 59.0504 33.3773 176.8241 144 S 5.2561 7.5524 113.0089 56.8891 66.7602 172.9468 145 R 5.0934 9.2517 122.4891 53.8940 33.3496 173.5761 146 T 4.9125 8.8728 123.1306 62.1031 71.3688 173.2289 147 C 5.0418 9.2538 125.8530 58.7050 29.4104 173.1684 148 I 4.7829 8.9340 127.3318 60.3938 37.6487 174.7457 149 Y 5.1538 8.5232 125.8841 55.4915 40.4481 176.2908 150 D 4.4132 9.1926 120.9495 56.5823 42.3448 177.8482 151 T 4.0488 7.9172 115.1363 63.0574 69.0948 174.0336 152 L 4.1374 8.6624 129.0650 58.1725 42.4566 177.1884 153 R 4.2357 7.7371 116.5154 55.6802 30.7152 175.8222 154 I 4.3747 7.9189 121.1649 58.6838 41.1950 174.2130 155 A 4.2046 8.8365 129.6382 52.8611 18.5823 177.7637 156 T 4.5315 8.5072 110.0931 60.8914 70.2374 173.5848 157 L 4.5912 7.6425 124.0535 54.3771 44.5328 175.8287 158 L 3.5828 8.6603 126.3586 55.6384 39.2463 174.8337 159 A 4.2218 7.7707 119.9752 51.8205 19.4936 178.1662 160 T 3.9937 8.1886 113.1740 60.3084 69.8149 172.9779 161 P 4.2625 0.0000 0.0000 62.8901 31.8682 176.5459 162 I 4.1580 8.5592 120.9422 61.7746 37.0905 175.9510 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 6 E 8.30 4.36 0.00 1.91 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 2.21 1.88 0.00 7 V 7.64 3.49 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 0.94 0.00 0.00 0.92 0.00 0.00 8 A 8.06 3.94 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 9 Q 8.05 3.87 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.43 1.99 0.00 10 V 7.94 3.51 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 1.01 0.00 0.00 1.00 0.00 0.00 11 A 7.97 3.88 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 12 Q 8.28 3.85 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 13 S 8.22 4.06 0.00 3.88 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 14 A 8.10 3.96 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 15 I 7.64 3.21 1.68 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.06 0.62 0.00 0.00 16 D 8.28 4.39 0.00 2.74 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 17 D 8.44 4.36 0.00 2.91 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 18 F 8.37 3.92 0.00 3.14 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 19 N 8.69 4.45 0.00 3.03 3.01 0.00 0.00 6.98 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 A 8.19 4.04 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 21 A 8.06 3.96 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 22 Y 8.21 3.80 0.00 2.61 2.99 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 23 G 8.40 3.61 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 0.00 0.00 0.00 24 L 7.90 4.04 0.00 1.72 1.70 0.92 0.78 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 25 C 8.18 3.95 0.00 3.05 3.05 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 26 L 7.46 3.83 0.00 1.49 1.54 0.59 0.85 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 27 D 7.95 4.45 0.00 2.67 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 28 D 8.27 4.47 0.00 2.68 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 29 D 7.70 4.32 0.00 2.79 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 30 R 7.68 4.38 0.00 1.98 1.85 0.00 3.16 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 31 L 7.52 4.04 0.00 1.67 1.69 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.15 4.06 0.00 1.93 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 2.33 2.45 0.00 33 Q 8.28 4.12 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 34 W 8.19 4.19 0.00 3.21 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 P 0.00 3.84 0.00 2.13 1.87 0.00 3.86 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 36 T 7.58 4.09 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 1.22 0.00 0.00 37 L 7.98 4.38 0.00 1.76 1.82 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.23 5.17 0.00 2.87 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 39 V 8.25 4.00 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 0.71 0.00 0.00 0.96 0.00 0.00 40 D 8.72 4.39 0.00 2.77 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 41 D 7.76 4.97 0.00 2.59 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 42 C 7.48 5.03 0.00 3.16 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 43 L 8.63 4.76 0.00 1.69 1.47 0.69 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.01 5.38 0.00 2.82 2.60 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 45 Q 8.55 4.71 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 46 V 8.39 5.01 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 1.14 0.00 0.00 0.90 0.00 0.00 47 I 9.08 5.09 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 1.21 0.72 1.03 0.00 0.00 48 A 8.34 3.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.45 3.79 0.00 1.79 1.82 0.00 3.03 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 50 E 7.93 4.01 0.00 1.99 1.93 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 2.35 2.26 0.00 51 N 7.98 4.46 0.00 2.92 2.82 0.00 0.00 6.50 7.18 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 52 V 7.37 4.16 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 0.74 0.00 0.00 0.96 0.00 0.00 53 D 7.55 4.86 0.00 2.66 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 54 N 7.70 4.56 0.00 2.81 2.73 0.00 0.00 6.91 8.94 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 55 G 8.71 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 56 L 7.35 4.55 0.00 1.57 1.55 0.91 1.00 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 57 P 0.00 4.22 0.00 2.04 2.20 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.33 0.00 58 A 8.47 4.06 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 59 A 8.42 4.68 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 60 V 8.55 4.09 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 0.78 0.00 0.00 1.07 0.00 0.00 *62 Y 7.87 4.66 0.00 3.09 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 63 C 8.89 4.73 0.00 2.74 2.63 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 64 D 8.45 4.83 0.00 2.68 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 65 S 7.28 4.50 0.00 3.91 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 66 K 8.73 3.80 0.00 1.82 1.77 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.22 7.81 67 G 7.53 3.86 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 0.00 0.00 0.00 *69 L 8.15 4.14 0.00 1.56 1.12 -0.36 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.11 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.42 4.31 0.00 2.71 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 72 R 7.99 3.92 0.00 1.98 2.29 0.00 3.25 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 73 V 7.77 3.56 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 0.94 0.00 0.00 1.26 0.00 0.00 74 V 8.04 3.56 2.23 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 1.05 0.00 0.00 0.94 0.00 0.00 75 A 8.08 3.99 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 76 L 8.14 3.92 0.00 1.84 1.69 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.96 3.98 0.00 1.93 1.98 0.00 3.32 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 78 K 8.23 4.05 0.00 1.88 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.46 7.81 79 A 7.90 4.59 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 80 N 7.49 4.74 0.00 2.75 2.63 0.00 0.00 7.03 7.90 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 *85 H 8.26 4.46 0.00 3.04 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.40 5.30 0.00 2.97 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 87 N 8.94 5.59 0.00 2.63 2.77 0.00 0.00 6.79 7.66 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 88 R 9.05 4.82 0.00 1.98 1.95 0.00 3.16 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 89 H 10.29 5.52 0.00 3.20 3.43 0.00 5.85 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 9.20 4.97 0.00 1.88 1.73 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.57 5.12 2.09 0.00 0.00 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 1.72 0.91 1.28 0.00 0.00 92 G 9.33 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 93 R 8.53 4.22 0.00 1.82 1.88 0.00 3.26 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 94 A 9.00 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.82 4.18 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 0.97 0.00 0.00 0.96 0.00 0.00 96 I 8.44 4.52 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 1.37 0.63 0.96 0.00 0.00 97 T 8.50 4.46 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 1.30 0.00 0.00 98 G 7.42 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 99 V 8.47 4.83 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 0.87 0.00 0.00 0.93 0.00 0.00 100 E 9.15 4.54 0.00 2.11 1.83 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 2.20 2.08 0.00 101 G 8.11 3.82 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 0.00 0.00 0.00 102 D 8.83 4.81 0.00 2.79 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 0.00 103 Q 7.98 5.07 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 104 V 8.81 4.68 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 1.04 0.00 0.00 0.91 0.00 0.00 105 S 8.94 5.27 0.00 3.97 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 0.00 106 A 8.82 5.24 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 9.52 5.82 0.00 1.93 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 0.00 2.28 2.13 0.00 108 A 8.50 5.03 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.88 4.73 0.00 3.80 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 0.00 110 Y 8.14 5.36 0.00 3.03 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 0.00 111 V 8.92 4.71 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 -0.05 0.00 0.00 0.79 0.00 0.00 112 V 9.07 4.71 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 1.06 0.00 0.00 0.83 0.00 0.00 113 F 9.52 5.24 0.00 3.10 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 0.00 114 Q 9.31 5.02 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.07 2.29 0.00 115 T 9.08 5.02 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 1.27 0.00 0.00 116 R 8.29 4.87 0.00 1.99 1.83 0.00 3.13 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 117 N 8.63 4.29 0.00 2.74 2.74 0.00 0.00 6.57 8.06 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 0.00 118 D 7.95 4.44 0.00 2.77 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 0.00 119 G 8.32 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 0.00 120 E 8.16 4.26 0.00 2.34 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 0.00 2.33 2.29 0.00 121 T 8.40 4.99 4.29 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 1.32 0.00 0.00 122 R 8.96 4.87 0.00 1.78 1.84 0.00 3.15 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 123 I 8.37 3.99 1.86 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 1.21 0.61 0.73 0.00 0.00 124 Y 8.83 4.42 0.00 2.89 3.12 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 0.00 0.00 0.00 125 N 7.81 4.65 0.00 2.01 2.49 0.00 0.00 6.84 8.15 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 0.00 126 A 8.38 4.72 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 0.00 127 G 6.76 3.67 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 0.00 0.00 0.00 128 K 8.03 5.03 0.00 1.90 1.76 0.00 1.34 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.43 7.81 129 Y 9.24 4.98 0.00 3.02 3.14 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 0.00 130 V 9.12 4.82 2.13 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 1.01 0.00 0.00 0.99 0.00 0.00 131 D 9.42 5.40 0.00 2.61 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 0.00 0.00 0.00 0.00 132 R 8.65 4.60 0.00 1.60 1.76 0.00 3.09 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 133 F 9.47 4.83 0.00 2.93 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 0.00 134 D 9.00 5.07 0.00 2.67 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 0.00 135 L 9.11 5.37 0.00 1.66 1.62 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.72 4.41 0.00 4.01 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 0.00 137 G 9.13 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 0.00 138 G 8.50 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 0.00 139 T 7.64 4.66 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 1.27 0.00 0.00 140 V 8.28 4.74 2.22 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 0.76 0.00 0.00 0.91 0.00 0.00 141 R 8.63 4.97 0.00 1.77 1.73 0.00 3.41 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 142 L 8.29 3.74 0.00 0.82 1.17 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.89 4.10 0.00 1.83 1.87 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.40 7.81 144 S 7.55 5.26 0.00 3.87 3.86 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 0.00 145 R 9.25 5.09 0.00 1.76 2.07 0.00 2.93 0.00 0.00 2.92 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 146 T 8.87 4.91 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 1.25 0.00 0.00 147 C 9.25 5.04 0.00 2.98 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 0.00 148 I 8.93 4.78 1.89 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 1.31 0.94 0.85 0.00 0.00 149 Y 8.52 5.15 0.00 3.21 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 0.00 150 D 9.19 4.41 0.00 2.54 2.70 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 0.00 0.00 0.00 0.00 151 T 7.92 4.05 4.14 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 1.19 0.00 0.00 152 L 8.66 4.14 0.00 1.60 1.70 0.95 1.01 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 0.00 153 R 7.74 4.24 0.00 1.84 1.87 0.00 3.41 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 154 I 7.92 4.37 1.46 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.36 0.81 0.00 0.00 155 A 8.84 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.51 4.53 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 1.29 0.00 0.00 157 L 7.64 4.59 0.00 1.57 1.56 0.93 1.03 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 0.00 158 L 8.66 3.58 0.00 1.77 1.66 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.77 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 160 T 8.19 3.99 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 1.11 0.00 0.00 161 P 0.00 4.26 0.00 0.82 0.80 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.92 0.00 162 I 8.56 4.16 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.74 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.