NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.6162 8.0433 120.5945 54.8051 43.6953 175.0412 2 I 4.9519 8.7736 125.8455 58.3976 40.5663 173.1560 3 L 4.9238 10.0003 131.9541 53.9656 43.8713 174.8943 4 Y 4.4631 9.7466 126.6050 58.1223 38.2816 174.6133 5 D 5.3688 9.3506 124.1860 52.6736 45.7704 173.9245 6 Y 5.4015 8.5493 122.2202 55.6492 41.6398 175.2014 7 F 3.9566 8.9917 122.2812 59.6647 37.7382 176.5564 8 R 3.7826 5.8400 117.2697 55.3580 30.0628 175.8956 9 S 4.4213 8.2281 112.9911 58.3651 62.8810 174.1215 10 T 3.9184 8.8296 126.7117 67.0597 68.0555 175.9060 11 A 4.0120 8.0961 121.6074 55.5027 18.4156 179.2874 12 C 4.1286 8.3227 115.1213 63.0150 28.1678 175.3789 13 Y 4.2562 8.5576 121.4820 61.0812 38.2620 178.4088 14 R 3.7841 7.9522 118.6368 59.5737 30.1530 179.2560 15 V 3.5713 7.5342 117.4954 65.7960 31.5055 178.1661 16 R 3.8155 8.3846 118.3200 59.2892 29.9644 178.8675 17 I 3.4852 7.9224 119.2428 64.4651 36.9838 178.2112 18 A 3.9735 7.8159 121.2980 55.2573 18.2437 179.7328 19 L 3.8810 8.0386 117.5563 57.8401 41.5862 179.5059 20 N 4.4210 8.2329 116.4060 56.4299 38.3233 177.3238 21 L 4.0008 8.0522 119.3799 57.3944 41.7966 178.8770 22 K 4.3606 7.6138 115.1357 54.9801 32.4171 176.4938 23 K 3.9254 7.9285 117.5047 57.2034 30.3512 175.3675 24 I 3.9221 7.4845 117.9116 60.8269 37.7176 175.9023 25 A 4.3231 8.5173 128.1404 51.9786 18.9404 176.0928 26 Y 5.1983 8.0475 120.0256 55.7435 41.9528 173.9050 27 E 4.8534 9.2430 118.5390 54.2701 33.0393 175.5446 28 K 5.1015 8.5794 120.8774 55.1709 36.0158 175.2092 29 I 4.3635 8.4007 122.9359 59.5280 39.4096 174.6082 30 E 4.6269 8.7401 127.0278 57.2651 30.9096 174.8632 31 V 4.0160 8.6098 118.0824 62.6385 31.8197 178.1453 *52 E 4.3436 9.5211 126.5432 56.3581 32.5091 178.9320 53 L 4.1761 7.9884 118.2019 57.8391 42.4423 177.5291 54 V 4.6867 7.3291 109.9694 58.7654 35.4352 173.0319 55 P 4.8615 0.0000 0.0000 62.9804 32.4232 175.5543 56 S 4.8065 9.0008 115.6114 56.6541 66.4509 172.0939 57 L 5.1039 9.1391 128.7644 53.3597 44.5345 174.2434 58 D 5.0889 9.5523 127.0472 53.2314 42.8213 175.0710 59 I 4.5402 9.0133 128.3669 59.5539 37.9818 175.5023 60 N 4.3520 9.7394 127.6830 54.1451 36.3780 174.4929 61 G 4.1581 9.0170 107.0118 45.9033 0.0000 175.2067 62 Q 4.1672 7.8624 118.7525 55.5582 29.4007 174.7516 63 I 4.9241 8.0493 122.5787 59.4875 39.9139 174.8011 64 L 4.7420 8.9571 127.7046 53.3794 45.2841 175.5096 65 S 4.8712 8.5564 119.8541 57.1451 66.6995 169.4600 66 Q 3.7665 8.7377 125.0383 55.4155 26.5806 175.6439 67 S 4.2777 8.5182 116.7818 58.6815 62.7127 176.0818 *69 A 4.2739 8.0554 125.8517 53.0731 20.5591 180.0521 70 I 3.7824 8.0045 117.0806 64.6130 37.2191 178.6280 71 I 3.7737 8.1459 121.0915 64.5129 36.9375 178.2901 72 D 4.4212 8.0979 119.2810 57.2889 40.5953 178.0801 73 Y 4.0490 7.9674 120.1666 60.5868 38.8209 177.6876 74 L 3.9141 8.1595 119.9618 58.0278 41.5184 179.4835 75 E 4.0083 7.8545 116.9471 58.9778 29.3703 178.9098 76 E 3.9603 7.5009 118.4248 59.3098 29.9799 178.3967 77 I 3.8581 7.2407 116.1387 62.2012 38.0632 175.8773 78 H 4.9488 7.9363 116.6371 53.4325 29.7496 171.8081 79 P 4.5022 0.0000 0.0000 65.3269 31.5317 177.9294 80 E 4.1083 7.1955 118.8593 56.0341 27.0396 173.5607 *82 P 4.3629 0.0000 0.0000 62.2845 32.9178 176.9137 83 L 4.4577 9.3103 121.3204 55.1202 42.3352 176.4135 84 L 5.0713 7.4499 117.6822 51.7758 45.0069 174.2377 85 P 4.6823 0.0000 0.0000 62.2896 32.3388 176.4821 86 K 4.1171 8.4466 117.3598 58.5790 32.3748 177.5960 87 D 4.4398 8.0510 118.6622 53.5214 41.7222 173.6925 88 P 4.3523 0.0000 0.0000 65.9287 31.6776 178.3582 89 F 3.9151 8.1905 115.2999 59.4013 39.2547 176.0026 *91 K 4.0427 8.1578 120.8013 56.3335 33.7080 177.7208 92 A 3.8895 7.7945 120.3635 55.2601 17.9489 179.5119 93 T 3.4596 7.4706 113.6432 66.8864 68.5592 176.4708 94 L 3.9986 7.4683 118.8355 57.4552 42.0293 178.9355 95 K 4.1190 8.0890 119.9839 59.0533 32.0771 178.9241 96 S 4.1336 8.0140 113.8378 58.6838 63.0518 175.9656 *98 A 4.4134 8.0380 127.2765 53.2323 20.3746 179.7912 99 L 4.0344 7.8239 115.3822 57.2421 41.6814 179.6154 100 I 3.6643 7.5590 120.0054 64.3038 36.8311 178.5386 101 V 3.4431 7.7120 116.8646 66.0672 31.6615 177.5909 102 A 4.1279 8.1572 119.3001 54.3493 18.2167 177.6937 103 C 4.4824 8.1138 113.5579 61.2847 30.1615 174.6617 104 D 4.4358 7.6965 116.0418 54.8361 40.7842 176.5545 *106 H 4.7679 8.0939 120.9115 55.7180 31.5906 173.4414 107 P 4.1401 0.0000 0.0000 65.5108 31.2358 178.4574 108 L 3.8868 7.5403 116.2370 56.7785 41.7532 177.3080 109 N 4.8034 7.7458 114.2761 52.2545 39.6971 174.0296 110 N 4.4040 7.5900 118.1844 53.7012 39.7099 174.9954 111 L 4.0156 8.8643 125.8161 58.6227 41.8958 179.7093 112 R 3.8890 7.9814 115.0465 58.8500 29.2527 178.9350 113 V 3.5903 7.8155 119.3473 65.7877 31.6910 177.7993 114 L 3.8524 7.9029 118.2126 57.9593 41.4314 179.1553 115 N 4.3189 8.4462 116.5465 56.2484 38.3942 177.1467 116 R 3.8360 7.7111 120.0560 59.6128 29.9879 178.5137 117 L 4.0872 7.7101 118.4578 57.7752 41.1631 179.6189 118 K 4.0485 8.0157 118.3765 59.4546 31.7456 179.3272 119 E 3.9595 8.5248 117.9473 59.6125 29.6726 178.8836 120 Q 3.8770 8.5183 118.8065 57.8403 29.0921 176.3864 121 F 4.5814 7.9674 115.6538 56.8072 40.6156 175.4470 122 N 4.7903 8.2711 116.3462 53.2117 35.8343 174.4323 123 A 4.2627 7.5822 123.1098 52.8467 19.8619 177.5354 124 N 4.7977 8.9655 119.6922 51.5654 39.2907 175.9548 125 E 4.0339 8.8847 118.1495 60.0376 29.1154 179.4805 126 E 4.0322 8.1780 119.0153 59.0212 29.6105 178.7487 127 Q 4.1134 8.7787 118.5131 58.2657 29.0023 178.1990 128 V 3.5970 7.7674 118.8676 66.1268 31.6363 177.7459 129 L 4.0727 7.9446 119.5084 58.0934 41.8916 178.5446 130 E 4.0201 8.0002 119.4194 58.6629 29.6512 178.6202 131 W 3.8986 8.3869 128.6864 60.4828 30.8971 177.0855 132 Y 4.6944 8.4104 121.0060 60.7703 38.0947 178.1708 133 H 4.3540 8.6507 116.7934 58.7407 28.7412 177.1954 134 H 3.9178 8.0090 120.2672 59.1968 29.5958 177.4143 135 W 4.3001 7.2706 119.8734 59.2290 28.7587 178.7569 136 L 3.3660 7.5296 119.1401 57.3286 40.9669 179.4155 137 K 4.2411 8.0056 119.6930 59.8608 31.7542 178.6233 138 T 3.9398 8.0914 116.5990 66.8822 68.4599 176.7226 139 G 3.4350 8.0029 107.1329 47.8308 0.0000 175.8190 140 F 4.3331 8.3576 120.8010 60.0786 38.8448 177.2402 141 D 4.7136 8.7836 118.9133 57.6628 40.7292 179.1200 142 A 4.0122 7.7808 120.1150 55.0709 18.4895 179.1949 143 F 3.8625 8.2825 119.2330 61.5744 39.5856 176.7152 144 E 4.1314 8.7250 119.0071 59.5740 29.1988 178.4520 145 E 4.0154 7.9790 117.4109 59.3618 29.8923 178.7212 146 K 4.1006 8.2484 118.4194 59.2112 32.0135 179.3531 147 L 4.1103 8.0682 119.7797 57.6532 41.3105 179.6159 148 G 3.7182 7.9553 103.9383 46.9514 0.0000 174.8142 149 A 4.3316 7.6247 121.1217 52.1205 19.1531 177.0054 150 L 4.7385 7.1777 119.0057 53.5787 44.2039 176.0581 *151 E 4.8476 8.7220 118.8094 54.9333 31.9619 175.9777 152 R 4.8996 8.4087 120.5909 53.5880 31.9368 174.9876 153 D 4.6510 9.1210 121.5070 55.0368 41.8612 175.1149 154 K 4.1129 7.1706 114.8912 56.4524 35.1405 174.8614 155 P 4.4847 0.0000 0.0000 61.6886 29.1524 175.6104 156 V 4.5407 7.0947 113.8437 59.3050 36.3129 175.5343 157 C 4.4056 9.4568 118.9787 63.0107 28.0453 174.7562 158 F 4.7162 8.1807 117.6225 58.2401 42.8402 174.2589 159 G 3.3327 7.4524 115.2912 46.8937 0.0000 175.0566 160 S 4.6776 8.5035 120.0281 57.4607 64.4256 172.8652 161 E 4.7056 7.8558 120.1602 53.9301 32.3598 175.4984 162 V 4.1338 8.5138 125.2100 63.3715 32.7654 175.7606 163 G 4.1291 9.2678 112.8378 43.9986 0.0000 172.4594 164 L 3.9124 8.8441 120.6625 58.6078 41.9745 180.0177 165 A 4.1846 8.1843 119.8017 55.5831 18.2530 179.2517 166 D 4.4323 8.2054 116.7171 57.5561 40.8698 178.7442 167 V 3.6729 7.9616 117.7812 66.3016 31.2785 177.3198 168 C 4.2997 8.2620 115.8046 61.5751 28.1667 175.9084 169 L 3.6136 7.9103 122.1982 58.0839 41.7717 178.7003 170 I 3.6833 7.7183 119.6952 64.3059 37.1480 176.6718 171 P 4.1267 0.0000 0.0000 65.4407 31.0348 178.5180 172 Q 4.0008 7.5604 118.3172 59.1049 29.0733 178.2389 173 V 3.8109 8.2238 119.5519 65.9304 31.4235 177.4395 174 Y 4.0558 8.2279 119.4865 60.8577 38.7559 177.6473 175 N 4.6137 8.6471 117.2336 56.4481 38.6829 177.0179 176 A 4.2542 8.2575 122.0650 55.8768 18.4835 179.5171 177 H 4.3436 8.1288 114.3728 58.9713 28.5631 178.0157 178 R 3.5987 7.8592 119.6408 58.2944 29.7356 177.5418 179 F 4.5249 7.8182 115.7566 56.4733 40.6596 175.2272 180 H 4.1247 7.9058 112.8985 57.0142 26.5612 174.7399 181 F 4.6701 8.6185 120.2164 56.4494 41.0372 174.8437 182 D 4.3889 7.3699 126.7243 53.1905 42.3547 175.1551 *184 A 4.2619 8.3119 121.1354 52.2243 20.0932 178.0092 185 S 4.2023 7.4555 106.7893 58.9142 62.9054 173.7605 186 Y 4.9543 7.1480 115.5978 55.5027 38.3204 173.8373 187 P 4.2609 0.0000 0.0000 65.8988 32.1770 178.4522 188 I 3.8056 8.0527 118.3438 64.2681 36.9732 178.7109 189 I 3.7455 8.0771 120.6501 64.5761 37.0115 178.1377 190 N 4.4049 8.4912 117.6267 56.3762 38.3421 177.3900 191 E 3.9977 8.2609 119.8792 59.4511 29.6076 179.4091 192 I 4.0081 7.5657 120.6497 63.8879 37.2364 177.8873 193 N 4.2214 8.6093 118.2266 56.6353 38.5083 176.4523 194 E 3.8817 8.0485 119.3616 59.4145 30.1232 177.7755 195 Y 4.1639 8.5047 119.7876 61.1093 38.9186 177.9008 196 C 3.5906 8.4661 117.8187 62.4670 27.8142 175.7667 197 L 4.2912 7.5172 119.0231 56.5472 41.4323 178.3210 198 T 4.1587 7.4337 108.4188 61.3038 69.6216 174.1687 199 L 4.5586 7.0961 123.4247 52.8844 43.4158 175.8206 200 P 4.3704 0.0000 0.0000 65.5177 31.0243 178.6755 201 A 4.0155 8.0421 118.4102 55.2579 18.5541 179.3568 202 F 4.1686 8.3388 115.6036 61.0359 38.9539 177.2530 203 H 4.1567 8.8608 118.3065 59.4793 29.4688 176.3439 204 D 4.5996 8.7500 117.8349 55.4313 40.9464 177.2404 205 A 4.4378 7.9193 120.3526 51.3752 20.1978 177.2842 206 A 3.0871 6.8785 120.7147 51.0927 19.3647 176.6469 207 P 4.3200 0.0000 0.0000 65.1733 31.2143 179.1209 208 E 4.0122 8.1525 116.3202 59.3119 29.1700 179.1745 209 A 3.9815 7.7586 119.6293 55.1461 18.6513 179.3651 210 I 3.7750 7.8348 117.3282 63.8972 37.1222 178.4850 211 S 4.0736 7.5637 115.6273 61.2979 62.9164 174.3013 212 S 4.2436 7.5155 120.8824 58.8460 62.4851 174.2825 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 L 8.04 4.62 0.00 1.78 1.85 1.06 0.62 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 2 I 8.77 4.95 1.97 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 1.14 0.94 0.85 0.00 0.00 3 L 10.00 4.92 0.00 1.71 1.65 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 9.75 4.46 0.00 3.11 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 5 D 9.35 5.37 0.00 2.91 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 6 Y 8.55 5.40 0.00 3.14 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 7 F 8.99 3.96 0.00 3.11 3.02 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 8 R 5.84 3.78 0.00 0.67 1.51 0.00 3.18 0.00 0.00 2.75 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 9 S 8.23 4.42 0.00 4.12 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 10 T 8.83 3.92 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 11 A 8.10 4.01 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 12 C 8.32 4.13 0.00 3.20 3.29 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 13 Y 8.56 4.26 0.00 2.93 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 14 R 7.95 3.78 0.00 2.10 1.94 0.00 3.16 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 15 V 7.53 3.57 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 16 R 8.38 3.82 0.00 2.10 2.03 0.00 3.23 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 17 I 7.92 3.49 1.76 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 -0.12 0.00 0.00 18 A 7.82 3.97 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 19 L 8.04 3.88 0.00 1.45 1.36 -0.17 0.74 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 20 N 8.23 4.42 0.00 2.89 2.89 0.00 0.00 7.03 6.02 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 21 L 8.05 4.00 0.00 1.71 1.74 0.88 0.99 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 22 K 7.61 4.36 0.00 1.77 1.83 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.46 7.81 23 K 7.93 3.93 0.00 1.88 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 24 I 7.48 3.92 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 1.01 0.00 0.00 25 A 8.52 4.32 1.26 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 0.00 0.00 0.00 26 Y 8.05 5.20 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.24 4.85 0.00 1.93 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 2.17 2.19 0.00 28 K 8.58 5.10 0.00 1.93 1.93 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.28 1.40 7.81 29 I 8.40 4.36 1.01 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.70 0.00 0.00 30 E 8.74 4.63 0.00 1.90 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 0.00 2.38 2.28 0.00 31 V 8.61 4.02 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 0.86 0.00 0.00 1.10 0.00 0.00 *52 E 9.52 4.34 0.00 2.01 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 2.13 1.88 0.00 53 L 7.99 4.18 0.00 1.57 1.74 0.90 0.91 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 54 V 7.33 4.69 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.02 0.00 0.00 55 P 0.00 4.86 0.00 2.10 2.09 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 56 S 9.00 4.81 0.00 4.01 3.70 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 57 L 9.14 5.10 0.00 1.70 1.39 0.99 1.05 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 58 D 9.55 5.09 0.00 2.94 2.72 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 59 I 9.01 4.54 1.82 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.33 0.98 0.00 0.00 60 N 9.74 4.35 0.00 2.87 2.90 0.00 0.00 7.49 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 61 G 9.02 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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141 D 8.78 4.71 0.00 2.98 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 0.00 142 A 7.78 4.01 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 0.00 143 F 8.28 3.86 0.00 3.28 3.09 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 0.00 144 E 8.72 4.13 0.00 2.41 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 0.00 2.57 2.54 0.00 145 E 7.98 4.02 0.00 2.19 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 0.00 2.36 2.42 0.00 146 K 8.25 4.10 0.00 1.80 1.67 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.41 7.81 147 L 8.07 4.11 0.00 2.07 1.81 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.96 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 0.00 149 A 7.62 4.33 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 0.00 150 L 7.18 4.74 0.00 1.76 1.87 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *151 E 8.72 4.85 0.00 1.64 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 1.85 0.00 152 R 8.41 4.90 0.00 1.85 1.85 0.00 2.99 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 153 D 9.12 4.65 0.00 2.60 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 0.00 154 K 7.17 4.11 0.00 1.36 1.56 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.03 0.87 7.81 155 P 0.00 4.48 0.00 2.15 2.01 0.00 2.59 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 156 V 7.09 4.54 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 0.71 0.00 0.00 1.00 0.00 0.00 157 C 9.46 4.41 0.00 3.08 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 0.00 158 F 8.18 4.72 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 7.45 3.33 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 0.00 160 S 8.50 4.68 0.00 3.75 3.76 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 0.00 161 E 7.86 4.71 0.00 1.88 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 2.24 2.31 0.00 162 V 8.51 4.13 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 1.23 0.00 0.00 1.19 0.00 0.00 163 G 9.27 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.84 3.91 0.00 1.75 1.72 0.93 1.10 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 0.00 165 A 8.18 4.18 1.46 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 0.00 0.00 166 D 8.21 4.43 0.00 3.19 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 0.00 167 V 7.96 3.67 2.32 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 0.78 0.00 0.00 0.94 0.00 0.00 168 C 8.26 4.30 0.00 3.09 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 0.00 169 L 7.91 3.61 0.00 1.70 1.83 0.34 0.74 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 0.00 170 I 7.72 3.68 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.97 0.00 0.00 171 P 0.00 4.13 0.00 1.97 1.76 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.89 0.00 172 Q 7.56 4.00 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 173 V 8.22 3.81 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 0.86 0.00 0.00 0.85 0.00 0.00 174 Y 8.23 4.06 0.00 3.37 3.27 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 0.00 175 N 8.65 4.61 0.00 3.24 3.32 0.00 0.00 6.96 7.56 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 0.00 176 A 8.26 4.25 1.68 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 0.00 177 H 8.13 4.34 0.00 3.22 3.26 0.00 5.63 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 0.00 178 R 7.86 3.60 0.00 1.32 1.86 0.00 3.11 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 179 F 7.82 4.52 0.00 2.84 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 0.00 180 H 7.91 4.12 0.00 3.38 3.41 0.00 5.83 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 F 8.62 4.67 0.00 2.76 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 0.00 182 D 7.37 4.39 0.00 2.48 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 0.00 0.00 0.00 0.00 *184 A 8.31 4.26 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 0.00 185 S 7.46 4.20 0.00 3.41 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 0.00 186 Y 7.15 4.95 0.00 2.93 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 0.00 187 P 0.00 4.26 0.00 2.18 2.11 0.00 3.88 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 2.12 2.16 0.00 188 I 8.05 3.81 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.19 0.98 0.00 0.00 189 I 8.08 3.75 2.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.66 0.00 0.00 190 N 8.49 4.40 0.00 2.88 2.89 0.00 0.00 7.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.26 4.00 0.00 2.05 2.01 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 2.35 2.72 0.00 192 I 7.57 4.01 2.05 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 1.45 1.39 0.97 0.00 0.00 193 N 8.61 4.22 0.00 2.75 2.98 0.00 0.00 6.91 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 E 8.05 3.88 0.00 2.14 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 0.00 2.36 2.33 0.00 195 Y 8.50 4.16 0.00 3.05 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 0.00 196 C 8.47 3.59 0.00 2.54 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 0.00 197 L 7.52 4.29 0.00 1.84 1.78 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 198 T 7.43 4.16 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 1.25 0.00 0.00 199 L 7.10 4.56 0.00 2.03 1.73 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.37 0.00 2.19 2.13 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 201 A 8.04 4.02 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 0.00 202 F 8.34 4.17 0.00 3.45 3.20 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 0.00 203 H 8.86 4.16 0.00 3.45 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 D 8.75 4.60 0.00 2.74 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 0.00 205 A 7.92 4.44 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 A 6.88 3.09 1.21 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 0.00 0.00 207 P 0.00 4.32 0.00 2.09 1.97 0.00 3.27 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.45 0.00 208 E 8.15 4.01 0.00 2.07 2.01 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 2.46 2.51 0.00 209 A 7.76 3.98 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 0.00 210 I 7.83 3.78 1.96 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 1.72 0.77 0.94 0.00 0.00 211 S 7.56 4.07 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 S 7.52 4.24 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.