NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3726 8.3044 120.3413 55.6497 33.9048 175.3844 2 D 4.6398 7.7613 120.8882 52.8085 39.2326 174.3752 3 F 5.0517 8.8160 120.4500 57.1027 41.3389 175.8023 4 R 4.9356 9.2771 119.7710 54.6241 34.7049 174.1817 5 I 4.9576 8.4692 115.0713 59.3182 40.8573 174.4723 6 G 4.4932 9.0061 110.1428 44.7099 0.0000 171.2655 7 Q 5.1859 8.5776 117.5526 54.4270 32.5769 174.0309 8 G 4.3411 9.2395 106.8759 45.1800 0.0000 170.8519 9 Y 5.3883 8.4186 121.3112 56.1095 42.2417 173.5699 10 D 4.5461 7.9076 122.7488 53.4011 45.3515 174.3258 11 V 4.8118 7.8304 121.7700 60.7006 34.5855 173.5741 12 H 5.0036 8.9151 119.1191 53.9690 33.3673 173.0785 13 Q 4.6094 8.7057 119.7335 55.9427 30.2895 175.1183 14 L 4.8322 8.7149 124.5577 53.6914 43.6588 175.8029 15 V 4.6732 8.5355 118.8109 58.6086 36.5487 173.4967 16 P 4.8168 0.0000 0.0000 63.5681 31.4813 176.7821 17 G 4.0853 9.1156 109.1810 45.2579 0.0000 173.7806 18 R 4.8980 7.7328 118.1528 53.1584 34.6266 173.2038 19 P 4.5642 0.0000 0.0000 63.0040 33.0012 175.0677 20 L 4.5709 8.5176 124.1906 54.0941 43.1074 175.2780 21 I 4.9186 8.2285 127.3846 59.4712 39.9872 174.9211 22 I 4.5996 8.1834 125.8768 60.4510 39.9825 175.7942 23 G 3.5934 10.4403 115.1022 46.6802 0.0000 175.1866 24 G 3.8994 8.9340 107.9579 44.8057 0.0000 174.2628 25 V 4.2025 7.4402 120.4920 61.1574 32.8924 174.3506 26 T 4.7796 8.4109 124.3032 63.0545 69.2475 174.0437 27 I 4.3646 8.4102 128.1420 58.4594 39.3786 174.0050 28 P 4.3439 0.0000 0.0000 63.4899 31.7015 175.2571 29 Y 4.8877 8.2855 122.5134 56.6539 41.6889 174.7699 30 E 3.8560 7.5868 123.8042 58.3754 29.7285 176.3235 31 R 4.8354 6.8279 115.9155 54.9916 35.0463 173.6574 32 G 4.7234 8.7519 105.7879 46.5037 0.0000 172.1734 33 L 5.6284 7.8586 119.2140 53.1054 42.9840 176.6830 34 L 4.4737 8.2052 122.1718 54.8029 43.3129 173.0802 35 G 3.8531 8.8448 118.2778 46.1786 0.0000 175.0353 *37 S 4.4381 8.7235 119.7316 57.6073 63.2506 174.2743 38 D 4.0658 8.8693 115.8574 54.2135 39.1969 176.2970 39 A 3.3594 7.2382 121.3574 53.3866 16.4208 178.5988 40 D 4.7058 8.3264 122.6334 54.1760 40.7717 175.5738 41 V 4.0707 7.8979 128.9408 63.7633 31.5097 177.9827 42 L 3.9376 7.8014 120.4699 57.9334 42.1125 178.5711 43 L 4.0216 8.0558 118.4361 58.0720 41.4961 179.1577 44 H 4.2816 8.2622 115.9380 58.9014 28.6975 177.7354 45 A 4.0351 7.9097 122.1031 55.2883 18.2004 179.7875 46 I 3.7018 7.8671 118.3657 64.6769 37.1479 178.8108 47 T 3.7173 8.1486 116.7459 66.7137 68.3137 176.3921 48 D 4.5294 8.4298 120.6594 57.4729 40.8575 178.7973 49 A 4.3024 8.0120 122.5778 54.4524 18.1838 179.7614 50 L 3.8315 7.8445 117.6599 58.0423 41.6267 179.7496 51 F 4.5063 7.9932 117.8399 60.5255 38.8829 178.0569 52 G 3.5780 8.3733 105.3203 47.5596 0.0000 175.7334 53 A 4.2530 8.0881 123.4682 54.0713 18.4757 178.7567 54 A 3.1272 7.4327 116.2974 51.1448 19.3245 176.8491 55 A 3.6906 7.4508 118.9405 53.4203 16.6376 177.7446 56 L 4.6439 8.3373 116.5046 55.5928 43.1365 178.3334 57 G 3.9686 9.1560 109.1282 45.9004 0.0000 175.3284 58 D 4.6913 7.9175 124.9027 50.7752 43.3690 175.3946 59 I 3.8243 9.3498 119.9079 64.1499 37.5827 178.0248 60 G 3.5959 8.0773 105.5610 47.7411 0.0000 175.3669 61 R 4.0370 7.7985 119.3975 59.0485 30.2573 178.4537 62 H 4.0783 7.5212 115.1984 57.0205 29.6025 175.7926 63 F 5.0148 7.7083 119.5015 55.5097 39.2894 174.6934 64 S 4.6386 8.0621 119.7004 56.8957 65.0912 174.6018 65 D 4.4304 8.6779 121.2560 57.5101 40.2478 177.8957 66 T 4.1584 7.4756 112.7480 62.4873 68.7080 183.3691 67 D 3.9810 6.6027 120.9306 55.7991 43.3504 182.5281 *71 K 4.4975 7.4696 120.1175 54.3950 33.2365 180.1753 72 G 3.9824 8.9213 107.8088 46.4666 0.0000 172.9945 73 A 3.6884 7.5441 121.8356 50.9212 19.1970 177.7501 74 D 4.7025 8.4541 122.8862 52.7986 42.2960 177.5385 75 S 4.2570 9.3945 115.1420 61.0618 62.7237 177.1819 76 R 3.9473 8.2561 121.2565 58.9193 29.8344 178.6650 77 A 3.9731 8.0823 120.2563 55.0443 18.4067 179.5532 78 L 3.3918 7.5632 117.6778 57.4951 41.5679 179.3542 79 L 3.9233 7.8036 120.2847 58.3357 42.0268 179.3247 80 R 3.8876 7.9842 117.9399 59.2182 29.9613 178.7314 81 E 4.0083 8.1542 119.1264 59.1037 29.6129 178.1485 82 C 4.0503 8.7395 119.1431 62.7064 31.6222 175.5962 83 A 3.9615 8.0852 122.2561 55.1767 17.9230 179.5884 84 S 4.1198 8.0860 111.7854 61.5457 62.4991 176.6139 85 R 4.0729 8.1908 120.9646 59.0903 29.8981 179.2158 86 V 3.7213 7.9597 118.0933 65.9046 31.4658 178.0085 87 A 4.6183 7.9358 121.7564 54.9777 18.0704 179.6953 88 Q 4.0149 8.0107 114.8521 58.4386 28.8650 177.9154 89 A 4.3335 7.7593 119.6186 52.5281 18.9650 177.9209 90 G 3.7760 8.3956 106.5434 44.6058 0.0000 173.0151 91 F 5.3165 8.2189 118.1859 55.6274 41.7220 174.5041 92 A 4.9989 9.0343 124.7284 50.2452 21.4267 176.0406 93 I 4.2509 8.3751 122.8958 61.6445 37.5014 175.8653 94 R 4.5527 9.0045 126.7928 57.9600 31.3400 176.1030 95 N 5.0240 7.6695 113.5456 52.1285 40.9705 173.1558 96 V 4.9657 8.8586 118.9076 61.2635 34.9621 173.6282 97 D 5.5914 9.0227 126.5821 52.8906 44.9693 174.1655 98 S 5.1471 8.2482 115.0090 57.9529 67.1492 173.1798 99 T 4.8965 8.9442 116.6220 62.0807 72.7109 173.0120 100 I 4.7521 8.8906 127.3103 59.7128 39.8653 174.6451 101 I 4.8685 8.8890 128.1387 59.7087 39.0877 174.6176 102 A 4.7915 8.7650 128.8030 50.4664 22.1630 176.9285 103 Q 3.8434 8.9717 122.8887 58.7799 29.6289 175.7618 104 A 4.3540 7.2005 116.9731 50.4540 21.6766 173.8033 105 P 4.3927 0.0000 0.0000 61.6530 32.9760 176.5138 106 K 4.0099 8.3815 119.9215 55.1151 31.7900 173.2693 107 L 4.4380 8.4686 123.7147 55.2168 42.8333 178.5674 108 A 4.0098 8.1638 120.4586 54.9841 17.8695 177.4147 109 P 4.3170 0.0000 0.0000 64.4870 31.8711 177.1872 110 H 4.8280 8.1696 114.6330 55.6521 29.3808 176.4156 111 I 3.7494 7.5404 123.3094 64.4234 36.9555 177.8208 112 D 4.3265 8.1135 119.0873 57.3407 40.6910 178.6351 113 A 4.0180 7.9002 120.7517 55.3122 18.4057 179.4567 114 M 4.2766 7.8740 118.3119 58.1264 31.9725 179.1088 115 R 3.8831 8.2302 118.1266 59.2710 30.2274 178.9873 116 A 3.9786 8.1090 120.4166 55.1766 18.3842 179.4921 117 N 4.2616 8.2178 114.9478 56.5294 38.5638 177.8040 118 I 3.6926 8.0254 121.1708 64.3422 37.1334 178.4136 119 A 3.9518 8.3399 121.7051 54.8591 18.2897 179.4527 120 A 3.9208 7.9654 119.3032 55.6644 18.3103 179.6970 121 D 4.3418 7.9755 115.7845 57.0637 40.9922 178.1541 122 L 4.2624 8.0763 116.7384 53.6226 42.8564 175.8271 123 D 4.3515 7.6091 117.7054 55.6073 40.0655 172.9350 124 L 4.8516 7.9429 117.1692 51.8989 45.1645 175.6360 125 P 4.3404 0.0000 0.0000 62.5892 32.1651 177.1766 126 L 3.9217 8.7343 123.5835 58.4330 41.9896 178.3011 127 D 4.5803 8.0713 114.0064 54.3845 39.4470 176.2354 128 R 4.6532 8.2909 118.4848 55.9974 31.6965 175.0971 129 V 4.8148 7.8950 119.1741 61.1283 33.6977 174.4297 130 N 5.1221 9.1771 125.4766 51.8268 42.6878 172.9633 131 V 4.9585 8.2889 123.6251 59.9642 34.5512 174.5019 132 K 4.8506 8.9808 125.9165 54.4899 35.9009 174.7709 133 A 5.2078 8.4597 122.8968 50.2324 21.8327 175.7264 134 K 4.7348 9.0542 120.9312 54.7551 36.6968 176.5760 135 T 4.8645 8.4322 113.8280 60.1205 70.9946 173.6588 136 N 4.7526 8.6568 116.3764 52.7267 39.0306 174.0647 137 E 3.9285 8.7701 113.5139 57.0592 27.6410 175.4412 138 K 4.1736 8.3190 112.3091 56.7632 30.6587 175.6678 139 L 4.4042 7.8910 119.7439 54.0847 43.1974 177.9782 140 G 4.0909 8.5505 111.7770 44.8853 0.0000 173.3690 141 Y 4.4690 8.1412 117.3426 59.6094 37.5430 178.6221 142 L 4.2327 7.0364 120.2109 57.5923 41.5962 179.4003 143 G 3.7229 8.0359 104.8720 46.6525 0.0000 174.9043 144 R 4.5475 7.8704 118.4509 55.3084 30.4373 176.4717 145 G 3.9390 7.7135 106.3002 46.8495 0.0000 174.7175 146 E 4.3463 8.5731 119.7769 56.6187 30.1084 175.8539 147 G 4.2249 7.3477 104.0300 45.8835 0.0000 172.7003 148 I 4.9629 8.4578 119.8491 59.3670 41.1467 174.6188 149 E 5.0245 8.9017 126.8161 54.3923 32.3931 174.3401 150 A 5.2970 8.7346 126.5806 50.2301 22.6980 175.0105 151 Q 5.2337 9.1809 118.7867 54.1727 32.7254 174.6354 152 A 5.2602 9.1471 122.9029 50.3560 23.4063 174.7915 153 A 5.2054 9.1292 120.4374 50.1502 22.8901 175.2164 154 A 5.1002 9.0537 122.3136 50.0085 22.9927 174.6211 155 L 5.1458 8.7362 123.0788 53.4577 44.9277 175.7573 156 V 5.2841 8.9506 118.2684 59.7775 36.8724 174.5823 157 V 4.8109 8.8341 122.6565 60.9178 34.8572 176.2832 158 R 4.7101 8.5640 122.9065 56.2898 28.9423 174.5875 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 8.30 4.37 0.00 1.70 2.21 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 2 D 7.76 4.64 0.00 2.83 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 3 F 8.82 5.05 0.00 3.01 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 4 R 9.28 4.94 0.00 1.63 1.73 0.00 3.31 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 5 I 8.47 4.96 1.88 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 1.29 1.12 0.93 0.00 0.00 6 G 9.01 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.58 5.19 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.24 4.34 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 0.00 9 Y 8.42 5.39 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 10 D 7.91 4.55 0.00 2.78 2.47 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 11 V 7.83 4.81 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 0.78 0.00 0.00 1.06 0.00 0.00 12 H 8.92 5.00 0.00 3.05 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.71 4.61 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 14 L 8.71 4.83 0.00 1.64 1.72 1.06 1.08 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 15 V 8.54 4.67 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 0.94 0.00 0.00 16 P 0.00 4.82 0.00 1.91 1.95 0.00 3.69 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 17 G 9.12 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 18 R 7.73 4.90 0.00 1.70 1.79 0.00 3.30 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 19 P 0.00 4.56 0.00 2.11 2.18 0.00 3.68 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 2.07 1.96 0.00 20 L 8.52 4.57 0.00 2.09 1.86 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.23 4.92 1.83 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 1.39 1.11 0.91 0.00 0.00 22 I 8.18 4.60 1.82 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 1.18 0.63 0.87 0.00 0.00 23 G 10.44 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.93 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 25 V 7.44 4.20 2.16 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 0.93 0.00 0.00 0.99 0.00 0.00 26 T 8.41 4.78 4.23 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 1.20 0.00 0.00 27 I 8.41 4.36 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.64 0.81 0.00 0.00 28 P 0.00 4.34 0.00 1.99 2.05 0.00 3.72 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 2.07 2.12 0.00 29 Y 8.29 4.89 0.00 2.91 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 30 E 7.59 3.86 0.00 1.58 1.75 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 2.23 2.22 0.00 31 R 6.83 4.84 0.00 1.90 1.89 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.00 32 G 8.75 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.86 5.63 0.00 1.64 1.58 0.90 1.01 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 34 L 8.21 4.47 0.00 1.55 1.61 0.93 0.91 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 35 G 8.84 3.85 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 0.00 0.00 0.00 *37 S 8.72 4.44 0.00 3.91 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 38 D 8.87 4.07 0.00 2.77 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 39 A 7.24 3.36 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 40 D 8.33 4.71 0.00 2.78 2.47 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 41 V 7.90 4.07 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 1.03 0.00 0.00 1.00 0.00 0.00 42 L 7.80 3.94 0.00 1.74 1.65 0.91 0.65 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 43 L 8.06 4.02 0.00 1.72 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.26 4.28 0.00 3.48 3.36 0.00 5.64 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 45 A 7.91 4.04 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 46 I 7.87 3.70 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.88 0.00 0.00 47 T 8.15 3.72 4.52 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 0.00 0.00 0.00 1.30 0.00 0.00 48 D 8.43 4.53 0.00 2.94 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 49 A 8.01 4.30 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 50 L 7.84 3.83 0.00 1.60 1.49 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.99 4.51 0.00 3.20 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 52 G 8.37 3.58 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 0.00 0.00 0.00 53 A 8.09 4.25 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 54 A 7.43 3.13 1.18 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 0.00 0.00 55 A 7.45 3.69 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 56 L 8.34 4.64 0.00 1.75 1.72 1.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.16 3.97 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.48 4.16 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 67 D 6.60 3.98 0.00 2.71 2.45 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 0.00 0.00 0.00 0.00 *71 K 7.47 4.50 0.00 1.79 0.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 72 G 8.92 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 0.00 0.00 0.00 73 A 7.54 3.69 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 74 D 8.45 4.70 0.00 3.12 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 75 S 9.39 4.26 0.00 3.90 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 76 R 8.26 3.95 0.00 2.01 2.05 0.00 3.11 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 77 A 8.08 3.97 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 78 L 7.56 3.39 0.00 1.72 1.49 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.80 3.92 0.00 1.89 1.80 0.87 0.99 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 80 R 7.98 3.89 0.00 2.02 1.95 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 81 E 8.15 4.01 0.00 2.15 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 0.00 2.44 2.77 0.00 82 C 8.74 4.05 0.00 2.96 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 83 A 8.09 3.96 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 84 S 8.09 4.12 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.19 4.07 0.00 2.29 2.15 0.00 3.66 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 86 V 7.96 3.72 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.92 0.00 0.00 87 A 7.94 4.62 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 4.01 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 89 A 7.76 4.33 1.62 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 90 G 8.40 3.78 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 0.00 0.00 0.00 91 F 8.22 5.32 0.00 3.15 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 92 A 9.03 5.00 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 93 I 8.38 4.25 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.92 0.00 0.00 94 R 9.00 4.55 0.00 1.94 2.07 0.00 3.48 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.06 0.00 95 N 7.67 5.02 0.00 2.87 2.89 0.00 0.00 5.56 7.68 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 96 V 8.86 4.97 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.02 5.59 0.00 2.79 2.44 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 98 S 8.25 5.15 0.00 4.01 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 99 T 8.94 4.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 100 I 8.89 4.75 1.84 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 1.20 0.76 0.92 0.00 0.00 101 I 8.89 4.87 1.86 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 1.15 0.98 0.92 0.00 0.00 102 A 8.76 4.79 1.18 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 0.00 0.00 103 Q 8.97 3.84 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 104 A 7.20 4.35 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 0.00 105 P 0.00 4.39 0.00 2.08 1.81 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 106 K 8.38 4.01 0.00 1.80 1.67 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.04 7.81 107 L 8.47 4.44 0.00 1.67 1.72 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.16 4.01 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 0.00 109 P 0.00 4.32 0.00 1.70 2.00 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 110 H 8.17 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.90 0.00 0.00 119 A 8.34 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.34 0.00 2.79 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 0.00 122 L 8.08 4.26 0.00 1.59 1.69 0.90 1.34 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 0.00 123 D 7.61 4.35 0.00 2.77 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 0.00 124 L 7.94 4.85 0.00 1.61 1.53 0.92 0.97 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 0.00 125 P 0.00 4.34 0.00 2.33 1.99 0.00 3.62 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 2.12 2.09 0.00 126 L 8.73 3.92 0.00 1.71 1.68 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.07 4.58 0.00 2.83 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 0.00 128 R 8.29 4.65 0.00 1.78 2.07 0.00 3.08 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 129 V 7.89 4.81 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.18 5.12 0.00 2.83 2.75 0.00 0.00 6.20 7.26 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 0.00 131 V 8.29 4.96 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 1.19 0.00 0.00 0.92 0.00 0.00 132 K 8.98 4.85 0.00 1.78 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.50 7.81 133 A 8.46 5.21 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 0.00 134 K 9.05 4.73 0.00 1.60 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.49 7.81 135 T 8.43 4.86 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 1.19 0.00 0.00 136 N 8.66 4.75 0.00 2.74 2.70 0.00 0.00 7.01 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 0.00 137 E 8.77 3.93 0.00 2.11 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 2.24 2.39 0.00 138 K 8.32 4.17 0.00 1.91 1.92 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.35 7.81 139 L 7.89 4.40 0.00 1.83 1.52 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.55 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 0.00 141 Y 8.14 4.47 0.00 3.33 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 0.00 142 L 7.04 4.23 0.00 1.49 1.67 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.04 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.87 4.55 0.00 1.86 2.01 0.00 3.28 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 145 G 7.71 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 0.00 146 E 8.57 4.35 0.00 2.33 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 2.34 2.32 0.00 147 G 7.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.46 4.96 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.19 0.93 0.00 0.00 149 E 8.90 5.02 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 150 A 8.73 5.30 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 0.00 151 Q 9.18 5.23 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 152 A 9.15 5.26 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 0.00 153 A 9.13 5.21 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 0.00 154 A 9.05 5.10 1.18 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 0.00 0.00 155 L 8.74 5.15 0.00 1.79 1.66 1.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.95 5.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.73 0.00 0.00 157 V 8.83 4.81 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 0.70 0.00 0.00 0.11 0.00 0.00 158 R 8.56 4.71 0.00 1.62 1.73 0.00 3.26 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.29 0.00 * Residues marked with a * may have inaccurate shift predictions.