NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6238 8.1633 118.3354 55.1786 33.7647 172.7627 2 I 4.8397 8.5444 118.9689 59.0777 40.7206 172.9544 3 L 5.0729 9.1334 129.6773 53.2822 44.8588 174.6617 4 V 4.9262 8.8495 126.3142 61.5155 34.0734 174.1981 5 T 5.6343 9.5038 121.8842 58.4680 71.4315 172.5839 6 G 4.4197 8.1640 112.8519 45.7483 0.0000 171.9723 7 G 4.4276 7.9740 107.5981 44.9668 0.0000 173.1177 8 A 4.1630 8.5724 122.9936 53.6103 18.7875 177.6935 9 R 3.8768 8.5092 119.9846 57.2724 28.0394 177.5520 10 S 4.3597 7.8928 112.7316 58.8313 63.9772 175.1512 11 G 4.0424 8.2763 109.5917 46.2682 0.0000 175.6450 12 K 4.0685 8.1546 121.9657 59.4366 32.7485 178.2719 13 S 4.3924 8.1412 119.7467 61.7670 62.8246 177.0150 14 R 4.0003 8.1117 122.6147 62.1013 28.7782 180.2021 15 H 4.2124 7.8316 117.3625 58.7847 30.1199 176.9897 16 A 4.0104 8.2630 123.1106 55.1796 18.2138 179.1249 17 E 4.0262 8.6522 116.8442 59.8701 29.4932 179.7861 18 A 3.9992 8.0738 119.1794 54.9193 18.3542 179.3261 19 L 3.9867 7.9103 117.5129 57.4762 41.7573 179.2131 20 I 3.8045 7.5214 118.7022 65.0276 37.7306 177.2147 21 G 3.8982 8.7913 108.2623 45.7243 0.0000 173.0854 22 D 4.0762 8.2658 120.7529 51.1455 39.5180 173.3930 23 A 3.5537 8.0623 135.0000 50.3952 16.2150 176.6329 24 P 3.9871 0.0000 0.0000 65.0925 32.5259 176.5061 25 Q 4.8683 7.8893 118.8160 52.7416 31.8711 176.0653 26 V 4.5563 8.0917 122.3223 60.2378 35.0747 173.3756 27 L 4.7377 8.7493 130.7381 53.7022 43.8944 174.1236 28 Y 4.7806 8.7771 128.2411 56.1520 40.6407 174.3730 29 I 4.4119 9.3255 129.0506 60.0695 38.5162 174.6284 30 A 5.0989 8.0818 130.9760 50.3062 17.8123 176.5921 31 T 3.9762 8.7804 112.3309 64.3115 69.3914 176.4177 32 S 4.2462 8.0456 116.4774 58.4814 63.4793 173.3135 33 Q 4.4261 8.3461 121.6531 54.5977 29.8743 176.2110 34 I 3.9932 8.3427 126.0997 61.5512 35.8781 175.9796 35 L 4.4611 8.2590 125.4732 55.1382 41.9212 175.7346 *45 H 4.8120 8.1288 118.5416 56.4387 30.5737 180.7530 *46 H 4.3693 8.0558 118.7629 59.5923 27.8855 180.3182 47 K 4.0724 8.0113 119.5260 58.8204 31.8303 178.3514 48 D 4.5954 7.8623 118.2027 56.6956 41.3788 178.4046 49 G 3.6569 7.4563 102.9433 45.4026 0.0000 174.0330 50 R 3.5534 7.0882 122.1335 55.2547 30.3945 174.5272 51 P 4.0502 0.0000 0.0000 62.3845 31.8911 177.1600 52 A 4.0065 8.5078 124.5239 55.4751 18.6153 178.8222 53 H 4.4399 8.2732 110.5476 58.4410 28.7906 176.2878 54 W 4.5998 7.8023 121.3068 57.5876 29.5921 177.0429 55 R 4.7868 9.1561 124.0030 55.9074 31.8439 174.4372 56 T 5.3178 8.3929 113.9998 61.5706 71.8272 172.6571 57 A 4.6732 9.1960 127.5665 52.7713 21.4459 179.7560 *61 R 4.0361 8.8287 118.3308 60.6406 31.2902 175.1311 *62 H 4.1184 8.7218 116.2530 54.4157 25.5057 175.1077 63 L 4.0622 7.8860 123.4740 58.4927 41.6980 179.1255 64 D 4.3891 8.0032 116.6925 56.2045 39.4501 178.0525 65 T 4.0880 7.6741 116.3635 65.6850 68.5437 175.9815 66 L 4.5370 7.6128 119.4675 55.4292 43.1247 176.7594 67 I 4.1053 7.6802 120.4956 60.2254 35.8405 175.0064 68 T 4.5985 7.7774 120.9691 61.2689 71.0701 175.7848 69 A 4.7257 8.7058 125.5521 53.9384 18.7446 177.8191 70 D 4.8011 7.8802 114.4193 53.5124 40.0144 176.4806 71 L 4.4275 7.7043 119.7296 54.2813 43.9003 175.5754 72 A 4.6231 8.0026 121.8333 50.4603 20.1557 176.9552 73 P 5.0898 0.0000 0.0000 65.8859 31.5912 178.6482 74 D 4.5420 7.9404 115.1560 55.0774 40.3558 178.8392 75 D 4.9232 7.7209 116.8391 55.1837 42.4373 175.1618 76 A 5.0669 8.6796 121.2496 50.5939 23.1431 175.1835 77 I 4.7687 9.2992 122.7198 59.2168 40.1920 174.4382 78 L 4.9382 8.7766 128.5744 53.1750 44.7531 174.5112 79 L 4.6226 8.3579 129.0773 53.2850 44.3442 174.7197 80 E 4.6897 10.5113 126.7148 54.7469 32.6278 173.6958 81 C 4.9793 8.6567 120.8342 55.7200 33.5475 175.3726 82 I 3.7640 9.5309 120.8237 64.5234 36.4385 178.8802 83 T 4.0056 7.9795 116.2550 67.0969 68.3502 176.2167 84 T 3.9292 8.0545 116.8901 67.1447 68.3977 175.9854 85 M 4.0620 7.8333 119.7898 58.6303 32.3288 178.4159 86 V 3.6605 7.9953 118.3607 66.3035 31.6337 178.0530 87 T 4.0914 8.4655 115.8662 66.9668 68.3779 176.1382 88 N 4.4774 8.6620 118.6481 56.5383 38.4882 177.4699 89 L 4.0141 7.8500 120.1333 57.6352 41.6087 179.3983 90 L 3.7653 7.8172 118.5336 57.7923 41.3709 179.3394 91 F 4.2285 7.5658 115.7171 60.6874 39.0147 177.2645 92 A 4.1767 7.9161 118.5294 55.4548 18.2880 179.4990 93 L 4.0242 8.2124 116.6886 59.0512 42.0321 179.6026 94 G 3.0702 8.0824 105.7872 43.1577 0.0000 171.8520 *98 D 4.3589 8.0498 118.2997 53.5131 42.0595 175.4534 99 P 2.0000 0.0000 0.0000 63.0516 30.7287 177.4833 100 E 4.3482 7.5979 115.1026 56.6318 30.3108 181.3791 101 Q 4.5358 7.8287 112.5903 56.1381 29.4593 175.9728 102 W 4.1471 8.0264 119.5734 57.3656 29.7948 176.7866 103 D 4.7324 8.1143 122.8200 52.3716 38.4050 175.9834 104 Y 4.1965 8.2054 121.5727 60.7995 38.0797 178.1183 105 A 4.1035 8.1198 121.4668 55.2087 18.5673 179.6014 106 A 3.9481 8.2119 119.3305 55.3110 18.3172 179.8149 107 M 3.8498 7.8329 116.8527 58.3988 32.0504 178.0540 108 E 3.9019 8.1060 119.3635 59.5149 29.7857 178.7411 109 R 3.8758 7.7035 117.5722 59.4453 30.2367 178.5857 110 A 4.7339 7.8044 121.3022 54.9028 18.3900 179.5699 111 I 3.6264 7.8831 118.1889 64.7406 37.0609 178.1384 112 D 4.3332 8.4333 119.1348 57.2004 41.0622 177.7809 113 D 4.3547 8.0890 119.4898 57.6059 40.9241 178.5734 114 E 3.9470 8.0519 118.6149 59.8453 29.4562 179.8010 115 I 3.7809 7.8495 119.4743 64.3731 37.0109 178.5738 116 Q 3.9900 8.3056 119.2979 58.7809 28.4089 178.8571 117 I 3.6935 7.6168 120.9707 64.1040 37.1616 178.1456 118 L 3.9109 7.9844 121.1335 58.1738 41.9288 178.8369 119 I 3.6184 7.9888 119.7590 64.4382 37.0821 177.8102 120 A 3.9583 8.1805 121.3443 55.4168 17.9328 179.1739 121 A 3.8832 7.8503 117.3468 55.8935 18.7100 179.1791 122 C 4.1246 8.6716 114.9153 63.0015 27.9526 176.4320 123 Q 4.0096 8.3893 119.3138 58.9156 28.8545 178.6478 124 R 4.4130 7.9004 114.5630 55.5794 29.9429 175.0147 125 C 4.9306 7.2730 121.0633 57.1098 32.0031 172.3454 126 P 4.2879 0.0000 0.0000 64.2247 31.2593 176.1190 127 A 5.4203 7.0191 119.4273 49.8052 20.4828 176.9267 128 K 4.1052 8.7483 121.4470 56.3333 33.4833 175.8315 129 V 4.7394 8.4424 127.0384 61.0314 34.4977 174.0525 130 V 4.8220 8.8961 127.8240 61.2653 34.2242 173.8404 131 L 4.8345 9.2537 129.2117 53.2678 43.5666 175.7836 132 V 4.7645 8.3582 123.8852 61.5501 34.1071 174.4441 133 T 5.3988 9.0110 121.4058 60.7322 71.6368 171.5154 134 N 6.2136 8.2005 119.2020 50.5169 42.0290 174.4804 135 E 4.4142 8.6351 120.9422 55.2356 30.3948 176.4418 136 V 4.5341 8.5155 116.8706 60.9334 32.7363 175.9491 137 G 4.2017 7.8577 107.9330 45.7694 0.0000 173.1907 138 M 4.3104 8.4275 117.2630 54.8745 32.7160 175.4805 139 G 4.1753 7.5094 106.8299 44.6161 0.0000 173.2980 140 I 4.1081 7.9346 119.2669 59.8514 38.2064 176.0056 141 V 3.5775 8.2426 122.9508 62.5132 31.4842 174.3818 142 P 4.4761 0.0000 0.0000 63.1920 32.0915 177.0088 143 E 4.0358 8.6570 116.1636 58.6882 30.2564 178.5112 144 N 4.3878 8.0421 118.8526 53.2316 39.6390 174.8075 145 R 3.7480 8.6796 128.2967 59.6952 29.9599 177.7749 146 L 4.0017 8.1846 120.3614 57.4707 42.0456 178.4338 147 A 4.1714 8.0474 120.0653 55.5430 18.1867 179.7541 148 R 3.8605 8.3941 116.7389 59.4653 30.1117 178.9790 149 H 3.8493 8.7379 117.1816 58.7752 28.6329 177.1123 150 F 4.2175 9.6831 122.6963 61.7614 39.1271 177.2290 151 R 3.5149 8.2650 115.2279 59.4001 28.9852 178.3668 152 D 4.2048 7.7250 119.2947 57.1773 40.8812 178.5103 153 I 3.6336 7.6437 119.8679 64.5957 37.1951 178.2397 154 A 3.9612 7.7341 121.4484 55.1139 18.0614 179.9753 155 G 3.4787 7.7497 103.7350 47.9636 0.0000 176.2662 156 R 3.9247 8.0113 120.5997 58.9153 30.0183 179.3250 157 V 3.6062 8.3975 118.4288 66.0539 31.5294 177.8837 158 N 4.3386 8.3108 116.2893 56.2349 38.2751 177.3351 159 Q 3.9612 8.0265 119.4594 59.0261 28.7552 178.9316 160 R 3.9041 7.7676 118.4647 59.4080 29.3666 178.9091 161 L 3.9419 8.0671 118.1760 57.9158 41.4713 179.3494 162 A 4.3897 8.2848 119.1642 55.2988 18.3289 179.2656 163 A 4.0501 8.0212 117.8374 55.2322 18.5544 179.4684 164 A 4.0437 8.0632 118.2500 54.2704 18.7436 178.1167 165 A 4.1053 8.4407 118.8192 53.1744 19.0643 176.6456 166 D 4.8183 8.6602 118.4876 55.4477 42.7028 177.4851 167 E 4.6299 7.9650 116.2060 54.4972 34.3528 174.9915 168 V 5.0162 7.9736 122.0175 61.1163 35.1693 173.8844 169 W 5.2938 9.2363 126.7956 54.7365 33.1157 173.9823 170 L 5.1317 9.2554 124.8232 53.3346 44.4401 175.0373 171 V 5.0172 8.9423 126.9035 61.0991 33.4665 175.3724 172 V 4.3590 8.4358 126.8148 61.0801 33.7198 175.7931 173 S 3.7622 9.8723 121.2966 59.5469 60.2887 173.5259 174 G 3.8474 8.7380 106.8641 45.5899 0.0000 174.0880 175 I 4.2368 8.3466 122.9320 59.4412 38.4366 175.4500 176 G 3.8517 8.7320 115.8677 46.1437 0.0000 172.1888 177 V 4.4345 9.6050 127.7655 60.6698 33.7255 174.7395 178 K 3.6697 8.4236 130.5693 56.4868 31.3874 176.2494 179 I 4.0690 8.5483 121.9517 61.4712 38.7370 176.0743 180 K 3.9302 7.3472 128.5874 56.9776 31.8702 174.6557 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 4.62 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 2 I 8.54 4.84 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.03 1.11 0.00 0.00 3 L 9.13 5.07 0.00 1.79 1.55 1.00 0.56 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 4 V 8.85 4.93 2.12 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 1.02 0.00 0.00 0.99 0.00 0.00 5 T 9.50 5.63 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 1.34 0.00 0.00 6 G 8.16 4.42 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 0.00 7 G 7.97 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.16 1.28 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 0.00 0.00 0.00 9 R 8.51 3.88 0.00 1.96 2.02 0.00 3.39 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 10 S 7.89 4.36 0.00 4.13 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.28 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 0.00 0.00 0.00 12 K 8.15 4.07 0.00 2.03 2.10 0.00 1.62 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.56 7.81 13 S 8.14 4.39 0.00 3.95 4.08 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 0.00 0.00 0.00 14 R 8.11 4.00 0.00 1.81 1.96 0.00 3.25 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 15 H 7.83 4.21 0.00 3.06 3.47 0.00 5.92 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.26 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 4.03 0.00 2.09 2.31 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 2.61 2.76 0.00 18 A 8.07 4.00 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 19 L 7.91 3.99 0.00 1.56 1.64 0.33 0.52 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 20 I 7.52 3.80 2.08 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.58 0.95 0.00 0.00 21 G 8.79 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 22 D 8.27 4.08 0.00 2.82 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 23 A 8.06 3.55 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 24 P 0.00 3.99 0.00 2.20 2.14 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 25 Q 7.89 4.87 0.00 1.73 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.90 0.00 0.00 0.00 0.00 0.00 2.25 1.88 0.00 26 V 8.09 4.56 0.67 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 -0.61 0.00 0.00 0.72 0.00 0.00 27 L 8.75 4.74 0.00 1.72 1.42 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.78 4.78 0.00 3.09 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 29 I 9.33 4.41 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.88 0.00 0.00 30 A 8.08 5.10 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.78 3.98 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 1.20 0.00 0.00 32 S 8.05 4.25 0.00 4.03 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 33 Q 8.35 4.43 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.29 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 34 I 8.34 3.99 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 1.28 0.36 0.91 0.00 0.00 35 L 8.26 4.46 0.00 1.64 1.52 0.92 0.93 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 *45 H 8.13 4.81 0.00 2.86 3.14 0.00 7.15 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 H 8.06 4.37 0.00 2.91 3.09 0.00 7.17 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 47 K 8.01 4.07 0.00 1.67 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.49 7.81 48 D 7.86 4.60 0.00 2.75 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 49 G 7.46 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.09 3.55 0.00 1.74 1.85 0.00 3.19 0.00 0.00 3.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 51 P 0.00 4.05 0.00 1.41 1.65 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 52 A 8.51 4.01 1.28 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 0.00 0.00 0.00 53 H 8.27 4.44 0.00 3.37 3.52 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 7.80 4.60 0.00 3.31 3.21 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 55 R 9.16 4.79 0.00 1.45 1.79 0.00 3.21 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 56 T 8.39 5.32 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 57 A 9.20 4.67 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 *61 R 8.83 4.04 0.00 1.87 1.77 0.00 3.42 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 *62 H 8.72 4.12 0.00 2.93 3.06 0.00 7.18 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 63 L 7.89 4.06 0.00 1.63 1.75 0.89 1.02 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 64 D 8.00 4.39 0.00 2.82 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 65 T 7.67 4.09 4.48 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 1.23 0.00 0.00 66 L 7.61 4.54 0.00 1.73 1.69 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.68 4.11 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.94 0.00 0.00 68 T 7.78 4.60 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 1.35 0.00 0.00 69 A 8.71 4.73 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 70 D 7.88 4.80 0.00 2.79 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 L 7.70 4.43 0.00 1.61 1.64 0.91 0.83 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 72 A 8.00 4.62 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 73 P 0.00 5.09 0.00 2.05 2.12 0.00 3.73 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 74 D 7.94 4.54 0.00 2.70 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 75 D 7.72 4.92 0.00 2.75 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 76 A 8.68 5.07 1.09 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 77 I 9.30 4.77 1.79 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 1.04 0.69 0.87 0.00 0.00 78 L 8.78 4.94 0.00 1.39 1.23 1.05 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.36 4.62 0.00 1.66 1.40 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 E 10.51 4.69 0.00 1.58 1.66 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 2.27 2.24 0.00 81 C 8.66 4.98 0.00 3.12 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 82 I 9.53 3.76 1.90 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 1.64 0.87 0.94 0.00 0.00 83 T 7.98 4.01 4.38 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 1.55 0.00 0.00 84 T 8.05 3.93 4.45 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 1.27 0.00 0.00 85 M 7.83 4.06 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 86 V 8.00 3.66 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 1.18 0.00 0.00 1.07 0.00 0.00 87 T 8.47 4.09 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 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0.98 0.91 0.00 0.00 116 Q 8.31 3.99 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 117 I 7.62 3.69 2.01 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 1.40 0.66 0.90 0.00 0.00 118 L 7.98 3.91 0.00 1.76 1.83 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.99 3.62 2.00 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 1.45 0.95 0.94 0.00 0.00 120 A 8.18 3.96 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 0.00 121 A 7.85 3.88 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 0.00 122 C 8.67 4.12 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.39 4.01 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 124 R 7.90 4.41 0.00 2.01 2.15 0.00 3.03 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 125 C 7.27 4.93 0.00 3.04 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 0.00 126 P 0.00 4.29 0.00 2.35 2.07 0.00 3.75 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 127 A 7.02 5.42 1.25 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 0.00 0.00 0.00 128 K 8.75 4.11 0.00 1.85 1.83 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.35 7.81 129 V 8.44 4.74 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 130 V 8.90 4.82 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 0.95 0.00 0.00 0.91 0.00 0.00 131 L 9.25 4.83 0.00 1.60 1.55 0.92 0.69 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 0.00 132 V 8.36 4.76 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 0.96 0.00 0.00 0.99 0.00 0.00 133 T 9.01 5.40 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 0.00 134 N 8.20 6.21 0.00 2.74 2.73 0.00 0.00 6.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.64 4.41 0.00 1.87 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 2.29 2.29 0.00 136 V 8.52 4.53 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 0.87 0.00 0.00 0.87 0.00 0.00 137 G 7.86 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 0.00 0.00 0.00 0.00 138 M 8.43 4.31 0.00 1.97 2.07 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 2.51 2.58 0.00 139 G 7.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.93 4.11 1.88 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 1.30 0.48 0.91 0.00 0.00 141 V 8.24 3.58 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 0.79 0.00 0.00 0.91 0.00 0.00 142 P 0.00 4.48 0.00 2.22 2.05 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 143 E 8.66 4.04 0.00 2.01 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 2.23 1.86 0.00 144 N 8.04 4.39 0.00 2.82 2.74 0.00 0.00 6.81 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 0.00 145 R 8.68 3.75 0.00 1.89 1.90 0.00 3.26 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 146 L 8.18 4.00 0.00 1.72 1.66 0.80 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.05 4.17 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 0.00 148 R 8.39 3.86 0.00 1.93 1.73 0.00 3.07 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 149 H 8.74 3.85 0.00 2.75 2.98 0.00 5.84 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 0.00 150 F 9.68 4.22 0.00 3.23 3.44 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 0.00 151 R 8.26 3.51 0.00 2.04 2.40 0.00 2.83 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 152 D 7.72 4.20 0.00 2.84 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 0.00 153 I 7.64 3.63 1.97 0.00 0.00 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 1.62 0.88 0.92 0.00 0.00 154 A 7.73 3.96 0.83 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 0.00 155 G 7.75 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 0.00 0.00 0.00 156 R 8.01 3.92 0.00 2.03 1.97 0.00 3.26 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 157 V 8.40 3.61 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 1.11 0.00 0.00 0.96 0.00 0.00 158 N 8.31 4.34 0.00 2.97 2.85 0.00 0.00 7.03 7.35 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 0.00 159 Q 8.03 3.96 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.73 0.00 160 R 7.77 3.90 0.00 2.07 1.98 0.00 3.47 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 161 L 8.07 3.94 0.00 1.69 1.73 0.93 0.73 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 0.00 162 A 8.28 4.39 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 0.00 163 A 8.02 4.05 1.39 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 0.00 164 A 8.06 4.04 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 0.00 165 A 8.44 4.11 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 0.00 166 D 8.66 4.82 0.00 2.75 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 0.00 167 E 7.97 4.63 0.00 1.96 1.81 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 2.23 2.29 0.00 168 V 7.97 5.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 169 W 9.24 5.29 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 9.26 5.13 0.00 1.71 1.51 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 171 V 8.94 5.02 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 0.86 0.00 0.00 0.86 0.00 0.00 172 V 8.44 4.36 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 0.80 0.00 0.00 0.95 0.00 0.00 173 S 9.87 3.76 0.00 4.02 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 0.00 174 G 8.74 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 0.00 175 I 8.35 4.24 1.94 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 1.51 1.05 0.96 0.00 0.00 176 G 8.73 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 0.00 177 V 9.60 4.43 2.21 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 0.76 0.00 0.00 1.06 0.00 0.00 178 K 8.42 3.67 0.00 0.85 1.22 0.00 1.42 0.00 0.00 1.36 0.00 0.00 2.57 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.21 7.81 179 I 8.55 4.07 1.81 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 1.22 0.69 0.87 0.00 0.00 180 K 7.35 3.93 0.00 1.63 1.57 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.