NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2296 8.3049 118.1437 54.9904 32.5810 174.1307 2 F 4.9253 8.8858 117.7247 53.6010 42.3472 173.7683 3 D 5.0304 9.4765 125.8115 51.1255 44.1491 176.8236 4 A 3.9003 8.5875 121.4816 55.5887 18.0591 180.0340 5 F 4.2792 7.8851 115.4593 61.0774 39.1695 178.0273 6 T 4.1002 8.9585 109.4257 64.0836 68.3738 176.5237 7 K 3.1769 8.0789 123.1652 59.4053 32.2922 178.9462 8 V 3.6829 7.2680 117.7082 65.7396 31.3586 178.0993 9 V 3.5718 7.7985 118.3595 66.0995 31.4585 178.1862 10 S 4.1111 8.1215 114.1185 61.6122 62.1128 176.5046 11 Q 3.9367 7.7856 121.4750 58.5688 28.4341 178.3785 12 A 4.0308 8.0434 121.9786 55.0527 18.3778 179.2028 13 D 4.3071 8.3305 116.7742 57.7636 41.0745 178.4129 14 T 3.9500 7.5418 114.9244 66.4272 68.5683 175.7222 15 R 4.4097 7.5888 115.6962 54.8813 30.6476 176.4056 16 G 4.0212 8.3380 107.2361 46.7906 0.0000 173.4450 17 E 4.7692 8.4028 116.9457 54.1916 33.0227 176.1024 18 M 4.4377 8.2333 119.9555 54.0958 33.2969 176.5892 19 L 4.3123 8.2206 121.1656 54.9850 42.5675 178.2260 20 S 4.4755 9.5223 118.0395 58.1458 65.2887 175.6602 21 T 3.8436 8.4503 119.0205 66.7307 68.1310 176.6579 22 A 3.9907 7.9397 122.1768 55.2488 18.6104 179.5161 23 Q 3.9221 7.9352 116.0298 59.1434 28.7331 179.1287 24 I 3.7417 7.8882 120.7270 64.6560 37.2073 178.2292 25 D 4.3466 8.5276 119.8119 57.3101 40.4881 178.8346 26 A 3.9967 8.0411 121.3533 55.1632 18.4004 179.7333 27 L 3.9381 7.7989 117.0893 58.0119 41.6965 179.8827 28 S 4.2359 8.3584 115.3819 61.3825 62.5293 176.6349 29 Q 3.9484 7.9977 122.6924 59.4136 28.6740 178.1774 30 M 4.0591 7.6015 116.3956 58.2265 31.4405 178.3545 31 V 3.7295 7.8740 119.2437 65.8378 31.5154 177.8654 32 A 4.0990 7.9840 119.4416 54.3866 18.2236 178.4256 33 E 4.5135 7.6248 115.4345 56.3229 29.7941 177.9462 34 S 4.0929 7.8879 117.7755 61.6713 62.7284 176.0838 35 N 4.2710 8.2506 119.4327 56.3367 38.2866 177.1993 36 K 3.9631 7.8104 119.5354 59.3461 32.0895 179.4110 37 R 3.9047 7.8026 118.5088 59.4953 30.0437 178.4703 38 L 4.0921 8.1838 118.9706 57.7472 41.5214 179.1256 39 D 4.3651 8.4429 118.9191 57.3028 40.8001 178.5651 40 A 4.0248 8.0085 121.1564 55.2819 18.4158 179.7601 41 V 3.6141 7.8059 116.5510 66.3949 31.6412 177.8192 42 N 4.3980 8.5597 116.9560 56.6900 38.5283 177.0866 43 R 4.0080 8.2928 119.3779 58.9822 30.5455 178.7672 44 I 3.9654 7.9912 119.7177 64.5714 37.2246 178.4293 45 T 3.8607 7.9833 116.5336 66.9319 68.1567 176.8298 46 S 4.3652 8.1515 115.0022 60.3709 62.9826 174.7558 47 N 5.0005 7.8280 118.8116 52.5337 39.6534 176.5093 48 A 4.0039 8.1599 122.4453 55.7334 18.4140 180.6500 49 S 4.1184 8.0450 112.9607 61.9775 62.7963 177.0804 50 T 3.9986 7.6935 119.3305 65.9393 68.4806 176.7498 51 I 3.6694 7.8353 121.7587 64.3589 37.0828 178.7048 52 V 3.5639 7.8901 119.0663 66.0226 31.1627 178.1650 53 S 4.1253 8.1519 114.0430 61.6876 62.7752 176.2083 54 N 4.3742 8.5018 120.3326 55.7751 38.3542 177.3279 55 A 3.9018 7.9223 121.7574 54.8869 18.4454 179.6464 56 A 3.3326 8.1950 119.6418 54.9950 18.5056 179.5433 57 R 3.8576 7.9289 117.4766 59.9400 30.1605 178.5402 58 S 4.0670 7.8989 112.6014 61.2314 62.2036 175.9356 59 L 3.8632 7.4230 122.8665 58.1556 41.5971 179.0335 60 F 4.5034 7.5169 116.4526 60.4833 38.9164 177.3423 61 A 4.1890 8.0687 119.6524 54.5531 18.2163 178.6671 62 E 4.2864 7.8022 116.6786 57.3252 31.4552 176.4992 63 Q 4.7098 8.3727 117.2900 51.3296 29.4180 173.6885 64 P 4.4370 0.0000 0.0000 65.3513 31.4769 179.6094 65 Q 4.0727 8.1055 116.7588 58.7439 28.8123 178.4553 66 L 4.0310 8.0759 118.8883 57.0024 41.6648 177.8625 67 I 4.1037 7.4875 108.8652 60.6350 38.8277 175.8315 68 A 4.0306 7.6823 125.1048 51.1892 18.7768 175.0260 69 P 2.9700 0.0000 0.0000 64.0353 31.6458 176.3593 70 G 4.1230 8.2421 111.0219 45.5208 0.0000 175.9395 71 G 4.3134 8.2278 106.3090 44.7095 0.0000 174.8078 *75 A 3.9864 8.6209 127.4945 51.4309 19.6791 176.0757 76 Y 4.3388 7.6897 119.2079 59.0954 39.9737 174.7621 77 T 3.0555 7.0940 114.1850 61.9619 69.2334 172.8937 78 S 4.0219 8.3678 119.5017 61.8697 62.8204 177.0828 79 R 3.8397 7.7794 120.7533 59.5211 29.8648 178.6969 80 R 3.9530 7.6236 117.1812 59.2545 30.0271 178.6968 81 M 3.9452 8.1211 117.9078 58.5761 32.2611 178.1653 82 A 4.0029 8.2766 120.9150 55.1007 18.5066 179.5039 83 A 4.0012 8.0049 119.4396 55.2117 18.5137 179.5298 84 C 4.0996 8.2918 117.4213 62.6920 31.7606 175.7272 85 L 4.0559 8.1305 120.6548 57.7973 41.2166 179.4242 86 R 3.9203 8.1490 118.5403 59.7475 29.9633 178.3019 87 D 4.5376 8.2135 118.5488 57.5123 40.7708 178.7623 88 M 4.0787 8.0303 119.0047 58.5117 31.9736 178.4425 89 E 3.9702 8.3203 119.3741 59.1421 29.7776 178.8784 90 I 3.6778 8.3295 120.2112 64.4822 37.2320 178.3994 91 I 3.7712 8.0017 120.7289 64.3907 36.9734 178.2510 92 L 3.8877 7.9874 121.1203 57.9499 41.8606 178.9702 93 R 3.4868 8.0010 118.7222 59.6649 30.0529 178.2789 94 Y 3.6858 7.6514 116.0715 60.4251 37.7021 178.8444 95 V 3.3737 7.4893 119.9620 66.0788 31.6540 178.2013 96 T 3.9247 7.7357 109.4206 64.8494 68.3080 176.0878 97 Y 4.3195 7.7342 119.5932 60.9892 37.8552 178.1154 98 A 4.0934 7.8453 122.9929 54.5741 18.1239 179.8556 99 V 3.7941 7.6536 115.6648 66.0607 31.6830 177.7974 100 F 4.2437 8.2552 119.2086 61.4153 39.5801 176.8335 101 A 4.2791 8.6617 120.7430 52.9546 17.8783 178.6720 102 G 3.9641 9.8224 104.8872 45.7617 0.0000 172.6491 103 D 4.6914 7.6098 116.3503 51.7213 44.1300 175.5307 104 A 4.0933 8.7202 126.1952 52.9120 18.7892 179.6011 105 S 4.1156 8.5568 114.2806 61.5154 62.8498 177.1323 106 V 3.5632 7.7601 122.1526 64.4099 31.0982 177.9741 107 L 3.9091 7.8088 120.5970 57.7205 42.0544 178.6583 108 E 3.8938 8.4000 118.7532 59.6421 29.2575 179.1801 109 D 4.3015 8.6039 117.9313 56.8480 41.0466 178.2231 110 R 4.2961 7.6785 115.5173 56.1091 30.8582 175.7412 111 C 4.2655 7.2808 115.3506 60.7313 33.6536 174.9493 112 L 3.9951 7.9234 119.3793 57.0423 41.5074 176.6450 113 N 4.3005 7.8672 117.6733 55.2654 38.8640 174.9200 114 G 4.1350 8.9011 114.3122 45.3976 0.0000 174.3200 115 L 3.6449 7.8794 122.2396 57.8401 42.0143 178.5751 116 R 3.9781 7.9533 118.2085 59.6737 29.9415 178.0872 117 E 3.9614 8.0872 117.6002 59.6996 29.4476 179.1792 118 T 3.8098 7.7467 115.6483 67.0944 68.5346 176.3100 119 Y 4.4815 7.9059 118.3986 60.7175 37.5881 178.1715 120 L 3.9692 7.7834 120.6460 58.2792 42.3458 178.7339 121 A 4.1588 7.8003 119.2230 54.9402 18.3171 179.3101 122 L 4.2301 7.5629 116.9200 56.7848 41.8348 178.4177 123 G 4.1060 8.4983 106.1624 45.7065 0.0000 172.9839 124 T 4.1618 7.7870 116.5463 61.4664 69.1059 174.0225 125 P 4.4900 0.0000 0.0000 62.7515 30.3547 176.6324 126 G 3.7597 8.5283 114.6875 47.6394 0.0000 172.5979 127 S 4.1546 7.9946 114.6126 61.3436 62.4298 176.3048 128 S 4.1078 8.2160 118.2498 61.4841 62.5089 176.6614 129 V 3.5189 7.7050 120.2718 65.9559 31.1994 177.7084 130 A 4.0191 8.0011 120.4911 55.0063 18.2061 179.7439 131 V 3.5893 7.7145 116.6759 66.0964 31.7285 178.3336 132 G 3.6275 8.1111 105.4342 48.0171 0.0000 175.6875 133 V 3.8330 8.2684 121.5201 65.5640 31.6160 178.3026 134 G 3.5872 8.3183 105.6169 47.7698 0.0000 175.8884 135 K 4.0049 8.0424 120.7360 59.3466 32.0202 179.4419 136 M 4.0519 7.8783 119.1066 57.8038 31.8163 178.5063 137 K 2.0000 7.6190 119.9023 59.0099 32.2512 178.6476 138 E 3.7998 7.7642 118.1144 59.4173 29.3862 179.3390 139 A 3.9597 7.7592 120.0780 54.7764 18.2978 179.5838 140 A 3.9235 8.3400 119.7446 55.4253 18.4504 179.9050 141 L 3.9105 7.9705 117.3659 57.7237 41.4152 179.5895 142 A 3.9699 7.7003 119.8494 55.2356 18.6143 179.4528 143 I 3.7981 7.6918 118.2558 64.5831 36.9813 178.8751 144 V 3.6601 7.8374 118.0120 65.8760 31.4856 177.0058 145 N 4.7890 8.2736 113.4741 52.4263 38.6949 174.5783 146 D 4.3353 7.3231 121.2236 53.9477 41.2517 174.4157 147 P 4.3922 0.0000 0.0000 63.9729 31.9505 176.3433 148 A 4.2226 8.0098 122.5505 52.7159 19.2698 176.9397 149 G 3.9714 9.0772 108.4054 45.9281 0.0000 173.2970 150 I 4.4199 7.4625 116.4115 59.1603 40.8089 174.1356 151 T 3.8832 8.5660 123.3122 63.1019 68.5871 172.4451 152 P 4.2855 0.0000 0.0000 62.8875 31.8169 175.7899 153 G 3.8409 7.9092 108.3993 45.7791 0.0000 171.3043 154 D 4.7226 8.7093 119.0479 53.1797 41.8621 175.5868 155 C 4.8577 8.4545 123.1893 59.4254 29.4527 175.8905 156 S 4.0909 8.2728 118.1891 61.6955 62.3454 176.3265 157 A 3.9557 7.9173 124.1331 54.5905 18.1174 179.1372 158 L 3.8898 7.9142 118.1548 58.1944 42.1783 178.8543 159 A 3.9974 8.3742 121.1538 55.2833 18.3403 179.7456 160 S 4.0363 8.1393 113.6285 61.5902 62.7544 176.4999 161 E 3.6466 8.1180 121.8390 59.3715 29.3831 178.9078 162 I 3.7852 7.9593 119.7321 64.3887 37.1082 178.2432 163 A 4.1678 8.5033 122.2857 55.1990 18.1078 179.7867 164 S 4.0528 8.0436 112.7588 61.7602 62.9207 176.4796 165 Y 4.3550 7.4295 120.2699 61.0076 37.5772 178.3619 166 F 4.1605 8.2079 118.2819 60.7353 38.9987 177.4746 167 D 4.4315 8.5680 118.5884 57.4013 40.5728 178.9006 168 R 3.9498 8.4267 118.6056 59.2555 30.2710 178.6475 169 A 4.0139 8.0190 120.3121 55.5980 18.5154 179.2395 170 C 4.1350 8.4390 114.7782 63.2026 28.0747 176.4670 171 A 4.0398 8.3431 120.8918 55.1128 18.0334 179.3001 172 A 4.1088 8.3260 118.6672 54.3982 18.2124 179.0940 173 V 4.3754 7.4466 107.9137 61.5590 32.9753 176.1768 174 S 4.4725 7.8430 119.3799 58.7480 62.9013 173.6536 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 4.23 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 2 F 8.89 4.93 0.00 3.24 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 3 D 9.48 5.03 0.00 3.11 2.90 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 4 A 8.59 3.90 0.98 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 5 F 7.89 4.28 0.00 3.28 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 6 T 8.96 4.10 4.54 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 0.00 0.00 0.00 1.41 0.00 0.00 7 K 8.08 3.18 0.00 1.94 1.93 0.00 1.06 0.00 0.00 1.42 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.34 7.81 8 V 7.27 3.68 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 0.93 0.00 0.00 0.95 0.00 0.00 9 V 7.80 3.57 2.24 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 1.02 0.00 0.00 1.04 0.00 0.00 10 S 8.12 4.11 0.00 4.01 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.79 3.94 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 12 A 8.04 4.03 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 13 D 8.33 4.31 0.00 2.81 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 14 T 7.54 3.95 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 1.21 0.00 0.00 15 R 7.59 4.41 0.00 1.81 1.95 0.00 3.31 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 1.61 1.80 0.00 16 G 8.34 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 17 E 8.40 4.77 0.00 1.87 1.82 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 2.22 2.36 0.00 18 M 8.23 4.44 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 19 L 8.22 4.31 0.00 1.64 1.61 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.52 4.48 0.00 4.00 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 21 T 8.45 3.84 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 1.29 0.00 0.00 22 A 7.94 3.99 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 23 Q 7.94 3.92 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 24 I 7.89 3.74 2.00 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 1.55 0.75 0.93 0.00 0.00 25 D 8.53 4.35 0.00 2.80 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 26 A 8.04 4.00 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 27 L 7.80 3.94 0.00 2.02 1.90 1.09 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.36 4.24 0.00 4.04 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 29 Q 8.00 3.95 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 30 M 7.60 4.06 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.38 0.00 31 V 7.87 3.73 2.35 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 1.05 0.00 0.00 1.23 0.00 0.00 32 A 7.98 4.10 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 33 E 7.62 4.51 0.00 1.95 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 0.00 2.24 2.47 0.00 34 S 7.89 4.09 0.00 4.03 4.12 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 35 N 8.25 4.27 0.00 2.79 2.93 0.00 0.00 7.16 8.10 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 36 K 7.81 3.96 0.00 1.93 1.87 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 37 R 7.80 3.90 0.00 1.87 2.12 0.00 3.07 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 38 L 8.18 4.09 0.00 1.88 1.75 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.44 4.37 0.00 2.86 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 40 A 8.01 4.02 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 41 V 7.81 3.61 2.39 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 1.13 0.00 0.00 1.18 0.00 0.00 42 N 8.56 4.40 0.00 2.84 2.97 0.00 0.00 7.30 8.32 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 43 R 8.29 4.01 0.00 1.89 2.00 0.00 3.24 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 44 I 7.99 3.97 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.29 1.01 0.00 0.00 45 T 7.98 3.86 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 46 S 8.15 4.37 0.00 3.89 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 47 N 7.83 5.00 0.00 2.83 2.76 0.00 0.00 6.70 6.98 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 48 A 8.16 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 57 R 7.93 3.86 0.00 2.02 1.92 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 58 S 7.90 4.07 0.00 3.89 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 59 L 7.42 3.86 0.00 1.69 1.30 0.88 0.83 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 60 F 7.52 4.50 0.00 3.10 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 61 A 8.07 4.19 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 62 E 7.80 4.29 0.00 2.21 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 0.00 2.29 2.33 0.00 63 Q 8.37 4.71 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 64 P 0.00 4.44 0.00 2.22 2.35 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 65 Q 8.11 4.07 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 66 L 8.08 4.03 0.00 1.86 1.84 1.10 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.49 4.10 1.75 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 1.31 0.57 0.30 0.00 0.00 68 A 7.68 4.03 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 69 P 0.00 2.97 0.00 1.71 1.39 0.00 3.48 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 70 G 8.24 4.12 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 0.00 0.00 0.00 71 G 8.23 4.31 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 0.00 *75 A 8.62 3.99 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 76 Y 7.69 4.34 0.00 3.04 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.09 3.06 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 0.68 0.00 0.00 78 S 8.37 4.02 0.00 3.80 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 79 R 7.78 3.84 0.00 1.83 1.87 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 80 R 7.62 3.95 0.00 2.07 1.94 0.00 3.20 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 81 M 8.12 3.95 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 82 A 8.28 4.00 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 83 A 8.00 4.00 1.45 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 0.00 0.00 84 C 8.29 4.10 0.00 3.15 3.23 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 85 L 8.13 4.06 0.00 1.92 1.76 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.15 3.92 0.00 2.01 2.19 0.00 3.13 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 87 D 8.21 4.54 0.00 3.10 2.86 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 88 M 8.03 4.08 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.89 0.00 89 E 8.32 3.97 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 90 I 8.33 3.68 2.10 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 1.58 0.93 1.11 0.00 0.00 91 I 8.00 3.77 2.06 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 1.46 0.81 0.95 0.00 0.00 92 L 7.99 3.89 0.00 1.91 1.80 1.12 0.81 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 93 R 8.00 3.49 0.00 1.69 1.67 0.00 2.91 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 94 Y 7.65 3.69 0.00 2.97 2.90 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 95 V 7.49 3.37 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.49 0.00 0.00 96 T 7.74 3.92 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 1.24 0.00 0.00 97 Y 7.73 4.32 0.00 3.17 2.90 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 98 A 7.85 4.09 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.79 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.21 0.00 0.00 100 F 8.26 4.24 0.00 3.21 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.66 4.28 1.49 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.99 4.15 0.00 3.90 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 0.00 128 S 8.22 4.11 0.00 4.01 3.89 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 0.00 129 V 7.70 3.52 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 1.19 0.00 0.00 0.50 0.00 0.00 130 A 8.00 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.71 3.59 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 0.97 0.00 0.00 1.06 0.00 0.00 132 G 8.11 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.27 3.83 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 1.24 0.00 0.00 1.04 0.00 0.00 134 G 8.32 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 0.00 135 K 8.04 4.00 0.00 1.93 1.80 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.56 7.81 136 M 7.88 4.05 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 137 K 7.62 2.00 0.00 1.23 1.65 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.18 1.04 7.81 138 E 7.76 3.80 0.00 1.99 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 2.24 2.49 0.00 139 A 7.76 3.96 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 0.00 140 A 8.34 3.92 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 0.00 141 L 7.97 3.91 0.00 1.63 1.70 0.85 0.87 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 0.00 142 A 7.70 3.97 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 0.00 143 I 7.69 3.80 2.05 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 1.41 1.28 0.98 0.00 0.00 144 V 7.84 3.66 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 0.86 0.00 0.00 1.03 0.00 0.00 145 N 8.27 4.79 0.00 2.77 2.84 0.00 0.00 6.99 7.75 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 0.00 146 D 7.32 4.34 0.00 2.67 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 0.00 147 P 0.00 4.39 0.00 2.22 2.15 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 148 A 8.01 4.22 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 0.00 149 G 9.08 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 0.00 150 I 7.46 4.42 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.92 0.00 0.00 151 T 8.57 3.88 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 1.22 0.00 0.00 152 P 0.00 4.29 0.00 2.17 2.06 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 153 G 7.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.71 4.72 0.00 2.62 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 0.00 155 C 8.45 4.86 0.00 2.99 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 0.00 156 S 8.27 4.09 0.00 3.99 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 0.00 157 A 7.92 3.96 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 0.00 158 L 7.91 3.89 0.00 1.77 1.89 0.95 1.13 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 0.00 159 A 8.37 4.00 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 0.00 160 S 8.14 4.04 0.00 4.00 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 0.00 161 E 8.12 3.65 0.00 1.95 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 0.00 1.82 2.16 0.00 162 I 7.96 3.79 2.11 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 1.61 1.22 1.23 0.00 0.00 163 A 8.50 4.17 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 0.00 164 S 8.04 4.05 0.00 3.99 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 0.00 165 Y 7.43 4.36 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.21 4.16 0.00 3.26 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 0.00 167 D 8.57 4.43 0.00 2.97 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 0.00 168 R 8.43 3.95 0.00 2.10 2.18 0.00 3.29 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 169 A 8.02 4.01 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 0.00 170 C 8.44 4.13 0.00 3.19 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 0.00 171 A 8.34 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 0.00 172 A 8.33 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 0.00 173 V 7.45 4.38 2.24 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 1.20 0.00 0.00 1.14 0.00 0.00 174 S 7.84 4.47 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 * Residues marked with a * may have inaccurate shift predictions.