NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5440 8.2629 120.6059 55.5014 33.7369 173.8783 2 K 4.8358 7.9520 127.3517 53.1426 33.8627 171.5277 3 I 4.9618 9.0471 126.6834 58.4849 40.7409 173.9423 4 L 5.0022 9.1164 129.1678 53.7453 43.9665 175.0131 5 V 4.8091 8.9108 126.9219 61.4337 33.7418 174.2654 6 I 5.0298 9.1923 129.8544 60.0005 39.3043 174.5166 7 Q 4.7830 9.4997 127.8089 54.6166 30.5438 176.8605 8 G 4.3994 8.3238 113.9918 43.4544 0.0000 171.3977 9 P 4.4095 0.0000 0.0000 64.0479 31.6134 177.5967 10 N 4.1898 8.9793 114.4981 54.5256 38.1429 176.5981 11 L 4.2253 7.8128 117.4841 57.4139 42.0924 178.2652 12 N 4.4278 8.0555 115.2737 55.2878 37.8526 175.9971 13 M 4.4140 8.4856 118.6477 55.3475 32.4070 175.7629 14 L 4.2502 7.4121 120.4080 55.4571 42.0643 177.1899 15 G 3.9571 8.9672 115.8159 46.8363 0.0000 175.0444 *16 H 4.4933 8.1268 117.6963 56.9432 28.3329 180.4727 17 R 3.7103 7.5516 117.1049 59.2885 29.4732 179.7342 *23 G 3.7526 7.5874 108.9766 45.9629 0.0000 173.3369 24 M 4.4499 8.2587 116.0625 54.1124 29.7825 173.0995 25 V 4.4622 7.1732 119.9192 60.8008 35.4168 175.5485 26 T 4.8966 9.1397 119.0542 60.1412 71.3334 175.8143 27 L 3.7569 8.1829 122.9181 58.2358 42.0691 178.6785 28 D 4.1805 7.9366 118.3986 57.5908 40.7058 178.7690 29 Q 4.1423 7.7097 118.4083 58.8171 28.6760 178.8673 30 I 3.5605 7.3016 120.4378 64.5940 37.0904 178.0903 31 H 3.8199 7.6963 117.0910 58.7737 28.3482 177.8079 32 E 3.9911 8.4159 119.4632 59.1009 29.1542 179.2525 33 I 3.6949 7.8161 121.2917 64.5874 37.1243 177.7668 34 M 4.5680 7.8392 120.6558 58.3212 31.4792 178.3517 35 Q 4.0535 8.3669 117.3889 59.9511 28.9609 179.6139 36 T 4.0709 8.5009 116.3398 67.1564 68.5846 176.2907 37 F 4.1666 8.6259 122.4648 61.1007 39.3532 177.4670 38 V 3.6000 8.3697 120.5472 66.6767 31.3138 178.7555 39 K 4.0012 9.0022 122.7204 59.4291 31.5540 180.0689 40 Q 4.5087 8.0341 118.6369 58.6549 29.3187 177.7071 41 G 3.5165 8.0000 103.9238 44.9629 0.0000 172.3279 42 N 4.1723 7.8641 117.4538 54.0568 38.1786 173.4014 43 L 4.2725 7.1933 113.9129 53.1915 42.4190 177.2727 44 D 4.4304 8.4443 123.0860 54.1250 39.4362 174.4487 45 V 5.1120 7.5793 123.3766 60.2862 34.2348 173.7740 46 E 4.1729 8.7955 128.8755 56.2806 30.3516 176.0994 47 L 5.0448 8.4099 124.1708 52.8682 44.6085 175.4489 48 E 4.3720 8.4483 122.0722 54.3324 33.1017 174.1524 49 F 5.4328 8.5043 124.4683 55.8695 41.4512 174.9371 50 F 5.0259 9.5218 125.0647 56.6880 42.7860 172.8412 51 Q 5.0631 8.2324 126.3594 54.7039 31.6135 174.0344 52 T 4.5376 8.6030 118.8576 60.9188 70.8526 172.8251 53 N 4.7764 8.9918 122.3504 52.8858 39.1522 174.6452 54 F 4.7816 8.6026 119.1455 55.6435 40.7210 175.6020 55 E 3.6093 9.2194 127.2021 59.5793 29.1991 179.1267 56 G 3.7355 8.2278 104.7247 48.0177 0.0000 175.2174 57 E 4.3301 8.4066 120.5419 58.9285 29.4578 179.3816 58 I 3.9004 8.0107 119.6958 64.4882 37.2738 178.0636 59 I 3.6731 7.6480 120.4332 64.6816 36.9464 178.1545 60 D 4.3208 8.6222 119.7878 57.3327 40.4226 178.9456 61 K 3.9122 7.7105 120.2991 58.8247 32.3938 178.6779 62 I 3.7668 8.1403 120.5344 64.5486 36.8373 178.4180 63 Q 4.0071 7.9185 117.5560 59.0307 28.6411 178.5661 64 E 4.0851 8.2887 119.6493 58.6403 29.4358 179.2756 65 S 3.9303 7.5972 114.5805 61.2491 62.7606 176.5635 66 V 3.5400 7.2561 120.9932 64.4628 31.6036 175.6196 67 G 4.1068 8.4358 108.4135 45.4954 0.0000 173.3855 68 S 3.2290 8.8188 111.8969 57.9474 63.9401 176.3561 69 D 4.3834 8.7694 134.4638 56.2701 40.4841 176.5865 70 Y 4.7289 8.3055 119.3746 57.0299 38.6246 175.1160 71 E 4.4621 9.0204 124.9114 57.5672 30.7474 176.3635 72 G 4.3328 7.8642 104.9302 45.1708 0.0000 171.9232 73 I 5.2849 8.8812 121.2248 59.3624 40.9722 174.6624 74 I 4.9997 8.7115 127.3321 59.6646 40.1135 174.7059 75 I 4.9872 8.9402 126.4022 60.0110 41.9324 173.1906 76 N 5.4987 9.3435 129.5249 50.2430 38.6472 173.1803 77 P 4.5409 0.0000 0.0000 62.6273 32.9255 177.9972 78 G 3.7077 8.4844 108.6566 46.0480 0.0000 175.4601 79 A 3.9606 8.5577 121.1430 55.5162 18.6366 179.7436 80 F 4.7202 8.0478 113.6891 60.2311 39.7734 177.8840 81 S 4.6026 8.8248 117.6280 61.6195 62.5889 176.4992 82 H 4.6706 7.6634 114.8559 57.3741 28.8244 176.3518 83 T 4.7192 7.8204 106.6146 61.5046 70.5723 174.7372 84 S 4.3876 8.6821 117.5526 57.0203 61.1724 174.0005 85 I 3.3937 7.9440 128.8885 63.6114 37.0194 177.3307 86 A 3.8995 7.8674 121.0581 55.5220 18.2048 179.6411 87 I 3.6521 8.1480 118.1230 64.2474 37.0666 178.7318 88 A 4.0065 7.7203 121.8652 55.2740 18.1302 179.0812 89 D 4.3242 8.4078 116.2725 57.6622 41.0952 179.1317 90 A 4.1076 8.0667 120.9267 55.3781 18.4225 179.7139 91 I 3.6508 8.0536 118.5618 64.7928 36.8982 178.2146 92 M 4.2716 7.8362 118.0156 56.8739 31.7319 177.4662 93 L 4.5079 7.8181 118.0021 54.5366 41.9795 177.9583 94 A 3.7289 7.7653 122.0889 52.7655 19.4387 177.8715 95 G 3.9856 7.3539 105.4736 44.7873 0.0000 173.0565 96 K 4.5485 7.3562 117.8254 55.7483 34.8446 174.5336 97 P 4.2702 0.0000 0.0000 63.5750 32.6811 175.0315 98 V 4.8616 8.5358 124.1170 61.0884 34.3291 173.9503 99 I 4.5562 8.9492 128.7266 59.4440 40.0286 174.2734 100 E 4.7787 8.7188 128.2924 55.5414 31.1690 175.1299 101 V 4.7346 8.4833 126.0616 61.3211 34.8789 173.8061 102 H 4.9162 8.7543 123.3932 54.0977 32.2371 174.1982 103 L 4.1141 8.9114 123.6747 58.1874 42.2141 178.1780 104 T 4.3787 7.7891 106.6569 60.8602 70.2604 174.0612 105 N 4.6008 8.1453 120.5630 51.7662 37.4486 175.0331 106 I 3.9476 7.9026 118.7646 62.4229 38.1337 178.6469 107 Q 3.8946 7.6566 119.3592 58.5943 28.5508 176.9612 108 A 4.5724 8.2305 118.4943 51.8589 19.9603 177.6009 109 R 4.5634 7.1354 115.9122 56.6188 30.6568 176.7288 110 E 3.9464 8.1702 124.8740 56.6362 30.3306 176.8534 111 E 3.7601 8.6769 122.4406 59.5774 29.5795 179.4884 112 F 4.4545 7.8986 111.7186 59.2425 37.7733 175.8978 113 R 3.7193 7.0294 118.7643 56.2344 29.7402 177.4104 114 K 4.0254 7.3745 117.8503 58.3561 32.5450 176.5451 115 N 4.2232 7.7757 119.6618 54.1738 39.7235 175.1840 116 S 4.6384 8.2406 116.5697 55.9685 64.6743 174.1113 117 Y 4.3677 8.1601 127.7757 61.6914 37.8864 179.0423 118 T 4.1537 8.2073 110.1639 64.6868 68.5745 176.5979 119 G 3.5721 8.1343 107.8852 47.6097 0.0000 175.1764 120 A 4.1533 7.7266 121.8692 54.8030 18.3220 179.5261 121 A 4.0576 7.4220 117.3047 54.7316 18.0904 178.1443 122 C 4.1618 7.6647 115.4232 59.8331 28.8327 175.6251 123 G 3.9171 8.1613 110.8313 48.7184 0.0000 173.8729 124 G 4.1276 7.1181 104.0801 45.5297 0.0000 172.9347 125 V 5.0160 8.4503 120.6854 60.8999 34.7582 174.4870 126 I 4.7855 8.6014 128.3687 59.7145 39.7686 174.5291 127 M 5.1005 8.9450 123.0674 55.0432 34.0531 174.8950 128 G 3.7799 9.1041 110.2793 45.8299 0.0000 173.7666 129 F 4.4987 8.1800 115.0363 55.7022 40.4687 178.0972 130 G 3.7914 7.9431 110.7595 46.1373 0.0000 173.8462 131 P 4.5304 0.0000 0.0000 65.6849 32.0312 178.5058 132 L 3.9222 8.1419 119.5417 58.2708 42.0483 179.1822 133 G 3.6561 8.2139 105.2525 47.7239 0.0000 175.3943 134 Y 3.9865 8.4611 119.2518 61.1232 37.9023 178.0548 135 N 3.8718 8.0467 116.8174 56.4593 38.7214 176.8713 136 M 3.7750 8.1314 120.1597 58.4828 31.9259 178.8233 137 A 3.9044 7.9814 120.5649 55.1223 18.6262 179.3012 138 L 3.9607 7.8911 117.6380 58.5239 41.3369 179.4120 139 M 4.1681 8.4083 117.8747 58.8581 32.1084 178.1604 140 A 4.0361 7.8201 120.2680 55.0337 18.6260 179.1082 141 M 3.9312 8.4061 117.1575 58.8709 32.3233 178.2345 142 V 3.5986 7.7611 118.3695 66.4847 31.6549 177.7512 143 N 4.3575 7.7995 115.0926 56.4153 38.3393 177.6310 144 I 3.7516 7.8629 121.1586 64.3382 37.2517 178.4676 145 L 3.9582 8.2578 119.8895 57.6999 41.3008 179.3900 146 A 4.0133 8.0433 120.7456 55.0923 18.4370 179.3908 147 E 3.8796 8.0602 117.5341 59.5944 29.8488 178.3493 148 M 4.1034 8.6297 119.2427 58.9228 30.6673 178.9314 149 K 3.9564 8.2336 117.7785 59.5374 32.1660 179.3024 150 A 4.3713 7.8317 120.9137 55.0200 18.2426 179.5538 151 F 4.3126 8.1364 118.8532 61.6853 39.4471 177.4645 152 Q 3.7748 8.2910 116.9944 58.0077 26.9016 177.9072 153 E 4.1976 7.5745 118.7737 57.5286 30.0385 178.0341 154 A 3.9608 7.7291 120.3807 55.4614 18.7066 179.4341 155 Q 3.9988 8.0716 116.9597 58.5776 28.7868 178.5361 156 K 3.9811 7.2907 116.7043 58.8134 32.5548 177.3746 157 N 4.6531 7.3938 115.6996 54.2023 39.2995 174.3621 158 N 4.5402 8.8204 123.8462 53.5649 39.3534 173.5329 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 8.26 4.54 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 2 K 7.95 4.84 0.00 1.48 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.30 1.36 7.81 3 I 9.05 4.96 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 1.00 0.00 0.00 4 L 9.12 5.00 0.00 1.85 1.54 0.98 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.91 4.81 2.29 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 1.24 0.00 0.00 0.92 0.00 0.00 6 I 9.19 5.03 2.00 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 1.40 0.66 1.15 0.00 0.00 7 Q 9.50 4.78 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 8 G 8.32 4.40 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 0.00 9 P 0.00 4.41 0.00 1.87 1.80 0.00 3.69 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 10 N 8.98 4.19 0.00 2.90 2.92 0.00 0.00 7.13 6.70 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 11 L 7.81 4.23 0.00 1.80 1.75 1.06 1.08 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 12 N 8.06 4.43 0.00 2.83 3.03 0.00 0.00 6.31 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.49 4.41 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 14 L 7.41 4.25 0.00 1.71 1.78 0.91 0.91 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 15 G 8.97 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 H 8.13 4.49 0.00 2.98 2.97 0.00 7.23 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 17 R 7.55 3.71 0.00 1.82 1.80 0.00 3.26 0.00 0.00 3.23 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 *23 G 7.59 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 0.00 0.00 0.00 24 M 8.26 4.45 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 25 V 7.17 4.46 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 1.03 0.00 0.00 0.93 0.00 0.00 26 T 9.14 4.90 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 1.20 0.00 0.00 27 L 8.18 3.76 0.00 1.82 1.57 0.64 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.94 4.18 0.00 2.64 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 29 Q 7.71 4.14 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 I 7.30 3.56 1.67 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 1.44 0.87 0.41 0.00 0.00 31 H 7.70 3.82 0.00 2.68 1.51 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.42 3.99 0.00 2.14 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 0.00 2.47 2.36 0.00 33 I 7.82 3.69 2.15 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 1.54 0.79 0.94 0.00 0.00 34 M 7.84 4.57 0.00 2.28 2.50 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.54 0.00 35 Q 8.37 4.05 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 36 T 8.50 4.07 4.53 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 0.00 0.00 0.00 1.26 0.00 0.00 37 F 8.63 4.17 0.00 3.21 3.34 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 38 V 8.37 3.60 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 0.98 0.00 0.00 1.15 0.00 0.00 39 K 9.00 4.00 0.00 1.90 1.74 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 Q 8.03 4.51 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 41 G 8.00 3.52 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 0.00 0.00 0.00 0.00 42 N 7.86 4.17 0.00 2.75 2.80 0.00 0.00 7.12 7.95 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 43 L 7.19 4.27 0.00 1.72 1.57 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.44 4.43 0.00 2.62 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 45 V 7.58 5.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 46 E 8.80 4.17 0.00 1.90 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 2.31 2.35 0.00 47 L 8.41 5.04 0.00 1.19 0.96 1.07 0.85 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 48 E 8.45 4.37 0.00 2.01 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 2.25 2.30 0.00 49 F 8.50 5.43 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.52 5.03 0.00 3.09 2.88 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 51 Q 8.23 5.06 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 52 T 8.60 4.54 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 1.46 0.00 0.00 53 N 8.99 4.78 0.00 2.67 2.68 0.00 0.00 6.80 7.45 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 54 F 8.60 4.78 0.00 3.17 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 55 E 9.22 3.61 0.00 1.16 1.71 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 2.13 1.76 0.00 56 G 8.23 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.41 4.33 0.00 2.39 2.38 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 2.40 2.35 0.00 58 I 8.01 3.90 2.13 0.00 0.00 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 1.91 1.05 1.04 0.00 0.00 59 I 7.65 3.67 2.02 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 1.51 0.75 0.90 0.00 0.00 60 D 8.62 4.32 0.00 2.89 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 61 K 7.71 3.91 0.00 1.55 1.75 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.83 0.93 7.81 62 I 8.14 3.77 1.99 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 1.18 0.89 0.00 0.00 63 Q 7.92 4.01 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 64 E 8.29 4.09 0.00 2.06 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 0.00 2.25 2.23 0.00 65 S 7.60 3.93 0.00 3.87 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 66 V 7.26 3.54 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 0.75 0.00 0.00 0.97 0.00 0.00 67 G 8.44 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.82 3.23 0.00 3.95 3.56 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 0.00 0.00 0.00 0.00 69 D 8.77 4.38 0.00 2.58 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.31 4.73 0.00 2.94 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 71 E 9.02 4.46 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 72 G 7.86 4.33 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 73 I 8.88 5.28 1.89 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 1.21 0.67 0.97 0.00 0.00 74 I 8.71 5.00 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 1.06 0.00 0.00 75 I 8.94 4.99 1.94 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 1.27 1.57 0.98 0.00 0.00 76 N 9.34 5.50 0.00 2.89 2.99 0.00 0.00 7.07 7.32 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 77 P 0.00 4.54 0.00 2.41 2.24 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.17 0.00 78 G 8.48 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.56 3.96 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 80 F 8.05 4.72 0.00 3.34 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.82 4.60 0.00 3.70 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.66 4.67 0.00 3.24 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.82 4.72 4.37 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 1.34 0.00 0.00 84 S 8.68 4.39 0.00 3.80 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 3.39 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.17 0.72 0.00 0.00 86 A 7.87 3.90 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 87 I 8.15 3.65 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.98 0.00 0.00 88 A 7.72 4.01 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 89 D 8.41 4.32 0.00 2.78 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 90 A 8.07 4.11 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 91 I 8.05 3.65 2.04 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 1.55 1.67 0.93 0.00 0.00 92 M 7.84 4.27 0.00 2.02 2.34 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 2.65 2.58 0.00 93 L 7.82 4.51 0.00 1.67 1.67 0.91 0.64 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 94 A 7.77 3.73 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 95 G 7.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.36 4.55 0.00 1.93 1.84 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.40 7.81 97 P 0.00 4.27 0.00 2.12 2.07 0.00 3.81 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 2.14 2.13 0.00 98 V 8.54 4.86 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 1.04 0.00 0.00 1.01 0.00 0.00 99 I 8.95 4.56 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 1.12 0.71 0.92 0.00 0.00 100 E 8.72 4.78 0.00 2.09 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 101 V 8.48 4.73 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 102 H 8.75 4.92 0.00 3.12 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.91 4.11 0.00 1.65 1.76 1.00 0.88 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 0.00 104 T 7.79 4.38 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 1.20 0.00 0.00 105 N 8.15 4.60 0.00 2.61 2.67 0.00 0.00 6.63 7.82 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 0.00 106 I 7.90 3.95 1.93 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 1.35 0.67 0.73 0.00 0.00 107 Q 7.66 3.89 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 108 A 8.23 4.57 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 0.00 109 R 7.14 4.56 0.00 1.61 1.42 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 110 E 8.17 3.95 0.00 1.16 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 2.22 2.16 0.00 111 E 8.68 3.76 0.00 1.99 1.99 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 2.39 2.39 0.00 112 F 7.90 4.45 0.00 3.12 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 0.00 113 R 7.03 3.72 0.00 1.60 1.75 0.00 2.99 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 114 K 7.37 4.03 0.00 1.76 1.71 0.00 1.79 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.22 7.81 115 N 7.78 4.22 0.00 2.55 2.62 0.00 0.00 6.64 7.63 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 0.00 116 S 8.24 4.64 0.00 3.87 3.68 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 0.00 117 Y 8.16 4.37 0.00 3.14 2.92 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 0.00 0.00 0.00 118 T 8.21 4.15 4.36 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 1.31 0.00 0.00 119 G 8.13 3.57 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 0.00 120 A 7.73 4.15 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 A 7.42 4.06 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 0.00 122 C 7.66 4.16 0.00 3.17 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.16 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.12 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 0.00 125 V 8.45 5.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 126 I 8.60 4.79 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.82 0.00 0.00 127 M 8.94 5.10 0.00 2.06 2.19 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 2.45 2.59 0.00 128 G 9.10 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 0.00 129 F 8.18 4.50 0.00 3.05 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 0.00 130 G 7.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.53 0.00 2.25 2.17 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 132 L 8.14 3.92 0.00 1.81 1.95 0.85 1.09 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 0.00 133 G 8.21 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 0.00 134 Y 8.46 3.99 0.00 3.16 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 0.00 135 N 8.05 3.87 0.00 2.52 1.72 0.00 0.00 7.04 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 M 8.13 3.78 0.00 1.74 2.01 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 137 A 7.98 3.90 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 0.00 138 L 7.89 3.96 0.00 1.91 1.98 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 139 M 8.41 4.17 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 140 A 7.82 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 0.00 141 M 8.41 3.93 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 142 V 7.76 3.60 2.41 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 1.01 0.00 0.00 0.99 0.00 0.00 143 N 7.80 4.36 0.00 2.96 2.86 0.00 0.00 7.13 7.17 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 0.00 144 I 7.86 3.75 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.92 0.00 0.00 145 L 8.26 3.96 0.00 1.79 1.74 0.94 1.09 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 0.00 146 A 8.04 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 0.00 147 E 8.06 3.88 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 148 M 8.63 4.10 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.68 0.00 149 K 8.23 3.96 0.00 2.09 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.66 7.81 150 A 7.83 4.37 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 0.00 151 F 8.14 4.31 0.00 3.17 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 0.00 152 Q 8.29 3.77 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.40 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 153 E 7.57 4.20 0.00 2.27 1.96 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 2.24 2.61 0.00 154 A 7.73 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 0.00 155 Q 8.07 4.00 0.00 1.70 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 156 K 7.29 3.98 0.00 1.82 1.85 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.37 7.81 157 N 7.39 4.65 0.00 2.96 2.88 0.00 0.00 6.60 7.88 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 0.00 158 N 8.82 4.54 0.00 2.53 2.60 0.00 0.00 7.05 7.44 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 * Residues marked with a * may have inaccurate shift predictions.