NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3821 8.4045 120.3242 54.3780 33.4523 175.3655 2 K 3.7241 8.4454 121.4572 54.4309 32.2996 173.4009 3 A 4.2731 8.6629 127.5243 50.7778 19.9583 178.2350 4 V 3.7509 8.5436 124.3709 65.7048 31.9385 176.7000 5 V 4.3131 7.0714 112.4949 59.3078 35.6925 176.1562 6 P 4.3540 0.0000 0.0000 64.5303 31.4926 176.3366 7 T 4.5092 8.9444 119.2170 64.0931 71.2785 175.5524 8 G 3.8062 8.4901 109.7097 46.4806 0.0000 173.0523 9 K 4.8863 8.6973 123.3307 54.6041 35.3298 175.0082 10 I 4.4234 8.7510 127.3799 60.5983 38.9978 174.7943 11 Y 4.8494 8.5473 128.0567 55.8799 40.1416 174.4611 12 L 4.4519 8.5786 131.1809 54.1377 42.7225 175.9845 13 G 3.9814 8.1984 115.6894 44.9687 0.0000 171.5959 14 S 5.1926 8.4415 117.7317 56.9298 65.2441 173.0313 15 P 4.5197 0.0000 0.0000 62.4564 31.8462 174.8822 16 F 4.5700 7.8644 120.7868 57.1819 43.0498 174.3642 17 Y 3.7115 5.8900 120.8275 60.0088 34.5480 173.7689 18 S 4.6645 6.8200 112.3732 57.7135 64.2973 172.5630 19 D 4.2667 8.8423 127.1872 55.2133 41.1360 173.6793 20 A 3.9699 8.6264 130.2137 54.0521 17.6719 179.6425 21 Q 3.9161 8.0789 116.1959 60.0969 28.8611 180.3070 22 R 3.4775 7.6667 120.6385 61.1571 29.2404 180.1519 23 E 4.0979 7.8067 118.8445 59.2704 29.6769 178.7002 24 R 3.8645 8.2704 118.2747 59.4075 30.0932 178.6608 25 A 3.8100 8.1056 119.9997 55.1493 18.1241 179.3996 26 A 3.8042 7.7914 118.5671 55.3584 18.4474 179.8247 27 K 3.7778 8.2011 117.6938 59.3256 32.2013 178.6709 28 A 3.9213 8.4555 123.8482 55.8476 18.3570 180.2358 29 K 3.7663 8.0072 122.0812 60.0376 31.4444 180.8898 30 E 4.1118 7.4968 118.8040 59.1680 29.7815 179.1575 31 L 4.0650 8.0387 119.3124 57.8351 41.5905 179.6373 32 L 4.0327 8.3152 119.1007 57.7283 41.3236 179.4363 33 A 3.9706 7.8971 119.5914 54.5680 18.3537 178.9764 34 K 4.3327 7.5548 114.5460 56.2568 32.5782 176.3867 35 N 4.9001 7.9174 119.6673 51.3605 38.8644 173.7965 36 P 4.4866 0.0000 0.0000 64.3401 31.8103 177.1716 37 S 4.5874 8.7108 112.8424 58.3757 63.7750 173.3170 38 I 4.7950 7.4535 122.6645 60.4545 37.4858 175.4593 39 A 4.5224 9.3497 129.3031 53.9005 20.4140 176.7910 40 H 4.7829 7.7615 112.4962 55.1851 33.4923 172.7742 41 V 4.7507 7.9455 123.4355 60.9723 34.2745 174.0564 42 F 4.8227 9.5169 130.1435 56.2734 42.3160 173.7093 43 F 4.8138 7.5721 127.2812 55.4922 41.3332 173.2831 44 P 3.8547 0.0000 0.0000 65.2621 30.8098 177.0585 45 F 4.0608 6.1863 115.2788 58.1949 39.0385 175.8009 46 D 4.2449 7.0794 122.3001 58.3411 41.0139 177.1144 47 D 4.6466 7.7021 121.5448 53.4042 41.1832 178.2302 48 G 4.4742 8.1429 108.6999 43.8446 0.0000 170.9908 49 F 4.1800 9.3883 126.3498 59.3887 37.6903 178.3404 *64 S 4.3409 8.9840 111.1386 58.1712 66.0788 173.7837 65 M 4.0799 8.5741 122.4069 58.3422 31.9372 178.8181 66 V 3.6763 7.8140 118.3020 65.6781 31.8495 177.5655 67 W 4.4140 8.3313 127.6831 60.6086 30.6272 177.8654 68 R 3.6953 8.4712 118.1576 59.5221 29.6087 178.5824 69 D 4.2795 7.8811 117.4840 57.3695 40.7906 178.8799 70 A 3.5523 7.4467 120.9274 55.3060 18.2761 179.9025 71 T 3.4216 7.3933 114.4872 66.5770 68.3951 176.1330 72 Y 3.9348 7.9247 121.8248 60.9662 38.7021 178.0493 73 Q 3.6973 8.4454 120.4773 59.3196 29.1971 178.1582 74 N 4.2250 8.1600 117.6208 56.2262 38.4636 177.1552 75 D 4.4648 7.6854 120.1734 57.2614 40.9855 178.7836 76 L 3.4449 7.4143 119.3645 57.7450 41.4273 179.7428 77 T 3.8084 8.0255 116.4526 66.2849 68.3008 177.0788 78 G 2.7311 7.2804 107.2792 47.4593 0.0000 175.9331 79 I 3.2785 6.9383 121.2957 63.7083 37.0285 178.2559 80 S 4.1682 7.5926 113.3429 61.5869 62.3978 175.8519 81 N 4.4064 7.9695 117.2989 54.8426 38.5727 175.8513 82 A 4.3198 7.1384 122.5700 52.6315 19.0558 176.7620 83 T 4.5704 8.8275 115.1735 63.3031 69.0982 174.0698 84 C 5.0609 8.0281 114.4333 56.9238 33.7261 172.9080 85 G 4.6036 9.1217 106.1513 44.4014 0.0000 172.2245 86 V 5.1586 8.4403 123.1703 60.8796 34.6211 174.0995 87 F 5.3043 9.2669 127.0362 55.7559 41.6282 175.0691 88 L 4.8975 8.9157 125.4128 54.7109 40.6444 174.8510 89 Y 4.5273 9.1011 125.0346 56.0638 40.0100 173.8189 90 D 5.0815 8.4787 128.0542 54.2879 41.1207 175.9639 91 M 4.2927 9.4404 127.0373 57.6220 32.0183 177.9153 92 D 4.4047 8.4267 118.1501 56.0611 41.4091 175.7825 93 Q 4.2773 8.3818 119.3690 53.5343 30.1490 174.2697 94 L 3.6945 8.4349 125.8373 54.6896 42.2845 177.1201 95 D 4.7032 8.1861 123.7748 52.7980 42.0911 176.4584 96 D 4.7022 8.7464 128.4327 55.7347 39.5745 178.6505 97 G 3.6436 8.3066 107.5350 48.1429 0.0000 175.7525 98 S 4.7737 8.9189 119.5367 60.6134 62.8459 176.7513 99 A 3.9533 8.2003 123.2109 55.0694 18.1702 179.2642 100 F 4.0764 8.6089 119.3911 61.7876 39.0618 177.2909 101 E 4.1649 8.6591 118.0572 59.3789 29.2653 179.4471 102 I 3.5787 7.7984 120.3696 64.2638 37.1286 178.7456 103 G 3.4938 8.1270 106.6341 47.5212 0.0000 175.5538 104 F 3.7029 8.1386 122.9278 61.3912 39.4449 177.2614 105 M 4.2521 8.3789 118.4164 58.4507 31.6867 179.0283 106 R 3.9256 8.2185 118.1638 59.0634 29.9944 178.9039 107 A 3.9225 7.7405 119.6189 54.5542 18.3589 178.5105 108 M 4.1538 7.1428 113.8293 55.0498 32.3106 176.3728 109 H 4.2135 7.9150 115.5356 56.3329 26.9672 174.7093 110 K 4.5874 7.8757 118.9767 54.9348 33.0880 175.3154 111 P 4.5772 0.0000 0.0000 62.9384 33.2630 175.1634 112 V 5.0201 8.5685 121.0891 61.4363 34.8076 174.0476 113 I 4.7173 9.6203 130.4010 60.0603 38.8060 174.3199 114 L 4.7384 9.1785 130.2496 53.6652 44.1243 175.4971 115 V 5.1794 8.9855 126.4144 59.0088 32.0188 171.9482 116 P 5.2286 0.0000 0.0000 62.4099 33.1013 175.6508 117 F 5.1482 9.4552 120.5695 56.2220 43.2011 173.8213 118 T 5.0984 8.7031 118.2903 61.5408 70.2302 173.5608 119 E 4.6736 10.0621 124.3937 56.0797 30.5860 174.7036 120 H 5.6905 7.9901 115.7323 54.2922 29.5774 172.6403 121 P 4.4191 0.0000 0.0000 64.7459 32.1561 178.1609 122 E 4.0828 8.1573 115.9654 58.1663 29.9315 177.1026 123 K 4.5224 7.6966 121.3997 55.3562 33.3109 176.8137 124 E 3.9371 8.5238 116.1360 56.7608 30.0437 177.6963 125 K 4.5953 8.4560 122.5524 54.6828 32.9264 174.7318 126 K 5.5625 8.5867 124.4169 54.9455 36.5321 175.2841 127 M 4.8306 9.1511 121.3618 53.6559 36.3082 173.9937 128 N 3.6002 8.3858 122.8622 52.8737 40.2165 175.3507 129 L 3.8079 8.5987 127.3567 58.7924 42.1421 179.4690 130 M 4.1249 7.9194 117.8242 58.2691 31.8059 178.7430 131 I 3.5851 7.4671 119.2006 64.0893 37.3351 177.9589 132 A 3.7855 7.6753 120.3416 54.9799 18.2432 178.8632 133 Q 4.2102 8.3291 117.0841 58.1986 29.4005 177.9231 134 G 3.6154 7.7100 106.3740 46.8707 0.0000 174.8478 135 V 3.8352 7.1567 113.7503 61.3407 32.3482 176.0409 136 T 4.4932 8.3986 112.0568 62.7832 70.9651 174.5717 137 T 5.1818 7.6998 118.4008 61.8749 72.9880 172.4481 138 I 4.6747 8.3047 126.2098 59.2263 40.5913 174.8632 139 I 4.4898 8.7294 129.3368 59.1704 40.6591 174.2800 140 D 4.4190 8.7539 128.0964 54.4084 41.5167 177.3270 141 G 2.0972 8.1300 113.7909 48.7289 0.0000 174.8145 142 N 4.6635 8.1778 119.4574 56.0787 39.1403 176.7057 143 T 4.4014 8.5280 111.9681 62.5285 69.8070 178.9529 144 E 4.9466 8.3038 118.3032 54.1821 31.5426 179.6443 145 F 4.6802 8.9437 126.8482 63.1824 39.4690 176.1890 146 E 4.0029 8.4356 116.9585 60.8487 29.3224 180.8743 147 K 4.2790 8.2329 116.9394 59.7289 31.8097 178.9214 148 L 4.2198 7.8166 117.9401 57.2820 41.3306 178.5550 149 A 4.4949 8.2491 120.2753 53.5125 18.5484 178.3456 150 D 4.6396 7.8517 115.1692 54.9523 43.0036 176.4836 151 Y 3.7775 8.2346 121.0573 57.9788 39.1411 175.1639 152 N 4.4999 7.6088 125.3488 52.7703 37.6809 174.9221 153 F 4.5927 9.0077 122.9968 58.4401 39.1772 176.6821 154 N 4.6895 8.7239 118.8673 54.9649 38.6293 175.6560 155 E 4.5125 7.6845 113.6904 54.7001 32.4317 175.0328 156 C 4.7660 7.8598 114.3524 58.4995 25.9643 171.4616 157 P 4.2830 0.0000 0.0000 62.8311 32.0162 177.3978 158 S 4.5489 8.3787 117.5807 58.5508 63.7411 174.5177 159 N 4.7784 9.0809 120.9714 51.8707 40.0010 171.7187 160 P 4.4687 0.0000 0.0000 62.1452 32.2292 176.5762 161 V 3.8293 8.1008 121.2917 63.0057 32.0893 175.5167 162 R 4.6493 8.3645 124.2702 56.0843 34.0067 175.3371 163 G 3.8969 9.1315 107.6436 45.4487 0.0000 172.5684 164 Y 4.7804 7.6409 116.5403 55.4991 40.4781 176.0200 165 G 3.9075 9.5623 111.9369 46.5262 0.0000 172.3041 166 I 5.3725 8.6364 123.0124 58.3530 40.4423 175.1748 167 Y 4.4983 7.6458 122.7814 57.2954 38.2519 174.9636 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 8.40 4.38 0.00 2.02 2.09 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 2.50 2.54 0.00 2 K 8.45 3.72 0.00 1.85 1.63 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.07 7.81 3 A 8.66 4.27 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 4 V 8.54 3.75 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 0.79 0.00 0.00 0.93 0.00 0.00 5 V 7.07 4.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.35 0.00 2.05 2.15 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.32 0.00 7 T 8.94 4.51 4.61 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 1.25 0.00 0.00 8 G 8.49 3.81 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 0.00 0.00 0.00 9 K 8.70 4.89 0.00 1.78 1.78 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 10 I 8.75 4.42 1.70 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.36 0.74 0.00 0.00 11 Y 8.55 4.85 0.00 3.10 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 12 L 8.58 4.45 0.00 1.55 1.70 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.20 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.44 5.19 0.00 3.97 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 15 P 0.00 4.52 0.00 2.17 2.00 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 16 F 7.86 4.57 0.00 1.51 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 0.00 0.00 0.00 17 Y 5.89 3.71 0.00 3.02 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 18 S 6.82 4.66 0.00 3.56 3.65 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 0.00 0.00 0.00 0.00 19 D 8.84 4.27 0.00 2.79 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 20 A 8.63 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 21 Q 8.08 3.92 0.00 1.96 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 22 R 7.67 3.48 0.00 1.81 1.95 0.00 3.25 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 23 E 7.81 4.10 0.00 1.98 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 2.37 2.39 0.00 24 R 8.27 3.86 0.00 1.82 1.59 0.00 2.85 0.00 0.00 2.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.46 0.00 25 A 8.11 3.81 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.79 3.80 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 27 K 8.20 3.78 0.00 1.85 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.63 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 1.31 7.81 28 A 8.46 3.92 1.54 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 0.00 0.00 0.00 29 K 8.01 3.77 0.00 1.77 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.37 7.81 30 E 7.50 4.11 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 31 L 8.04 4.07 0.00 1.67 1.62 0.12 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.32 4.03 0.00 1.71 1.61 0.81 0.76 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 33 A 7.90 3.97 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 34 K 7.55 4.33 0.00 1.92 1.87 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.70 7.81 35 N 7.92 4.90 0.00 2.85 2.90 0.00 0.00 7.46 8.16 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 36 P 0.00 4.49 0.00 2.10 2.11 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 37 S 8.71 4.59 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 4.79 1.86 0.00 0.00 0.64 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 0.71 0.87 0.00 0.00 39 A 9.35 4.52 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 40 H 7.76 4.78 0.00 3.19 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.95 4.75 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 0.72 0.00 0.00 0.80 0.00 0.00 42 F 9.52 4.82 0.00 3.23 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 43 F 7.57 4.81 0.00 2.80 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 44 P 0.00 3.85 0.00 1.67 2.27 0.00 3.32 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.77 0.00 45 F 6.19 4.06 0.00 1.94 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 46 D 7.08 4.24 0.00 2.68 2.56 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 47 D 7.70 4.65 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.14 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.39 4.18 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 S 8.98 4.34 0.00 4.21 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 8.57 4.08 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.67 0.00 66 V 7.81 3.68 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 1.18 0.00 0.00 1.02 0.00 0.00 67 W 8.33 4.41 0.00 3.68 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.47 3.70 0.00 1.92 1.95 0.00 3.31 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.19 0.00 69 D 7.88 4.28 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.45 3.55 0.09 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 71 T 7.39 3.42 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 0.74 0.00 0.00 72 Y 7.92 3.93 0.00 2.86 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 73 Q 8.45 3.70 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 74 N 8.16 4.23 0.00 2.81 2.90 0.00 0.00 7.04 8.34 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 75 D 7.69 4.46 0.00 2.68 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 76 L 7.41 3.44 0.00 1.42 1.35 0.71 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.03 3.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 78 G 7.28 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 0.00 0.00 0.00 79 I 6.94 3.28 1.52 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.36 0.78 0.00 0.00 80 S 7.59 4.17 0.00 3.83 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 81 N 7.97 4.41 0.00 2.62 2.79 0.00 0.00 7.08 6.91 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 82 A 7.14 4.32 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.83 4.57 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 1.35 0.00 0.00 84 C 8.03 5.06 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.12 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.44 5.16 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 1.04 0.00 0.00 1.05 0.00 0.00 87 F 9.27 5.30 0.00 3.06 3.17 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 0.00 88 L 8.92 4.90 0.00 1.65 1.71 1.12 0.75 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 89 Y 9.10 4.53 0.00 3.29 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.48 5.08 0.00 2.69 2.50 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 91 M 9.44 4.29 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.84 0.00 92 D 8.43 4.40 0.00 2.82 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 93 Q 8.38 4.28 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 94 L 8.43 3.69 0.00 1.69 1.62 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.19 4.70 0.00 2.75 2.51 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 0.00 96 D 8.75 4.70 0.00 3.01 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 97 G 8.31 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.92 4.77 0.00 4.32 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 99 A 8.20 3.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.61 4.08 0.00 3.31 3.38 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 0.00 101 E 8.66 4.16 0.00 2.60 2.42 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 2.61 2.96 0.00 102 I 7.80 3.58 1.72 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 0.69 0.00 0.00 103 G 8.13 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.14 3.70 0.00 2.97 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 0.00 105 M 8.38 4.25 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.62 0.00 106 R 8.22 3.93 0.00 1.75 1.91 0.00 3.45 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 107 A 7.74 3.92 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 0.00 108 M 7.14 4.15 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.45 0.00 109 H 7.91 4.21 0.00 3.30 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.88 4.59 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.41 7.81 111 P 0.00 4.58 0.00 2.23 2.25 0.00 3.87 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 2.20 2.07 0.00 112 V 8.57 5.02 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 1.16 0.00 0.00 1.07 0.00 0.00 113 I 9.62 4.72 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.74 0.00 0.00 114 L 9.18 4.74 0.00 1.61 1.42 0.47 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.99 5.18 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 0.71 0.00 0.00 1.01 0.00 0.00 116 P 0.00 5.23 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 117 F 9.46 5.15 0.00 2.89 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 0.00 118 T 8.70 5.10 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 119 E 10.06 4.67 0.00 1.98 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 2.18 2.13 0.00 120 H 7.99 5.69 0.00 3.23 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.42 0.00 2.04 2.12 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 122 E 8.16 4.08 0.00 2.12 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 0.00 2.39 2.30 0.00 123 K 7.70 4.52 0.00 1.98 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 124 E 8.52 3.94 0.00 1.98 1.77 0.00 0.00 0.00 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 1.90 0.00 125 K 8.46 4.60 0.00 1.70 1.58 0.00 1.37 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.48 1.08 7.81 126 K 8.59 5.56 0.00 1.90 2.05 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.53 7.81 127 M 9.15 4.83 0.00 1.80 1.49 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 128 N 8.39 3.60 0.00 2.70 2.52 0.00 0.00 6.71 6.66 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 0.00 129 L 8.60 3.81 0.00 1.67 1.57 0.87 0.79 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 0.00 130 M 7.92 4.12 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 131 I 7.47 3.59 1.79 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 1.48 0.82 0.44 0.00 0.00 132 A 7.68 3.79 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 0.00 133 Q 8.33 4.21 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 134 G 7.71 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.16 3.84 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 0.57 0.00 0.00 0.90 0.00 0.00 136 T 8.40 4.49 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 1.23 0.00 0.00 137 T 7.70 5.18 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 1.13 0.00 0.00 138 I 8.30 4.67 1.82 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 1.22 0.97 0.95 0.00 0.00 139 I 8.73 4.49 1.82 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.93 0.00 0.00 140 D 8.75 4.42 0.00 2.71 2.50 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 0.00 141 G 8.13 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 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.18 4.66 0.00 2.85 2.91 0.00 0.00 6.70 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 0.00 143 T 8.53 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 144 E 8.30 4.95 0.00 1.82 1.86 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 2.13 2.08 0.00 145 F 8.94 4.68 0.00 3.40 3.12 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 0.00 146 E 8.44 4.00 0.00 2.01 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 2.32 1.98 0.00 147 K 8.23 4.28 0.00 1.99 1.97 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.60 7.81 148 L 7.82 4.22 0.00 1.72 1.90 1.25 0.80 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 0.00 149 A 8.25 4.49 1.33 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 0.00 150 D 7.85 4.64 0.00 2.70 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 0.00 151 Y 8.23 3.78 0.00 2.96 2.43 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 0.00 152 N 7.61 4.50 0.00 2.55 2.34 0.00 0.00 7.24 7.71 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 0.00 153 F 9.01 4.59 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.72 4.69 0.00 2.86 2.89 0.00 0.00 6.69 7.23 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 0.00 155 E 7.68 4.51 0.00 1.79 1.87 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 2.18 2.27 0.00 156 C 7.86 4.77 0.00 3.17 3.12 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 0.00 157 P 0.00 4.28 0.00 1.99 1.94 0.00 2.93 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 158 S 8.38 4.55 0.00 3.88 3.91 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 0.00 0.00 0.00 159 N 9.08 4.78 0.00 2.75 2.67 0.00 0.00 7.40 7.72 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 0.00 160 P 0.00 4.47 0.00 2.08 1.99 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 161 V 8.10 3.83 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 0.68 0.00 0.00 0.80 0.00 0.00 162 R 8.36 4.65 0.00 1.82 1.79 0.00 3.29 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 163 G 9.13 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 0.00 164 Y 7.64 4.78 0.00 2.81 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 0.00 165 G 9.56 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 166 I 8.64 5.37 1.88 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 0.98 1.96 0.82 0.00 0.00 167 Y 7.65 4.50 0.00 3.04 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 * Residues marked with a * may have inaccurate shift predictions.