NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3506 8.3301 115.2924 58.1793 64.2252 174.0976 3 A 4.2648 7.9324 120.6257 50.6428 18.8625 174.8985 4 S 4.8100 9.5624 117.2692 56.8150 66.3592 171.4191 5 I 4.9747 8.2591 123.1189 60.1172 38.3662 175.0740 6 R 4.7790 8.7712 122.4354 54.4894 33.5044 174.0276 7 D 5.0074 8.6603 119.3528 54.2382 41.3993 176.5729 8 A 4.4543 9.0912 125.3841 52.0879 19.4092 176.9691 9 G 4.2784 9.4659 109.4204 43.1483 0.0000 174.7487 10 V 2.9530 7.9710 111.2096 63.8963 31.0319 178.3539 11 A 4.1398 7.7947 118.5409 53.9434 18.5826 178.0983 12 D 4.5872 8.1398 116.8983 55.1579 41.2093 178.4835 13 L 3.9647 7.5281 120.2609 57.2458 41.5737 177.4223 14 P 4.3730 0.0000 0.0000 65.4707 31.4063 178.9061 15 G 3.6108 7.9956 104.1461 47.6370 0.0000 175.6341 16 I 3.5299 7.9463 122.4990 64.0174 37.1086 178.1169 17 L 3.8438 8.2251 121.2009 58.1585 41.8833 178.8391 18 A 4.0382 8.0067 120.5747 55.2569 18.3039 179.7228 19 I 3.6883 7.7492 117.9186 64.5865 37.2131 177.9169 20 Y 3.7229 8.3550 120.7231 60.9593 38.5811 178.1704 21 N 4.3610 8.7881 117.5781 56.0343 38.5874 177.0463 22 D 4.2686 8.1498 119.6065 57.2343 41.3232 178.1660 23 A 3.9845 7.9081 121.3825 54.8941 18.1111 179.5243 24 V 3.4476 7.3946 116.0621 66.3850 31.6316 178.3624 25 G 3.8030 8.1393 103.7242 46.7754 0.0000 173.8045 26 N 4.9969 8.3244 115.2664 52.8389 40.5397 173.6857 27 T 4.8303 8.0291 107.3227 60.4806 72.0830 173.4413 28 T 4.5979 8.5555 108.7909 61.6386 68.9334 175.7408 29 A 4.2069 8.1357 127.0065 54.5300 18.6420 178.3751 30 I 4.5345 7.5895 114.9989 59.3139 41.0093 175.9586 31 W 4.7979 8.7030 131.4684 56.1188 28.0420 175.7354 32 N 5.1253 7.5631 114.4456 51.6608 42.0986 174.9793 33 E 4.3701 8.6656 118.9923 56.5556 31.2520 176.1442 34 T 4.4062 7.6677 116.2131 61.1772 69.5343 172.9890 35 P 4.6457 0.0000 0.0000 62.6848 32.2163 175.5573 36 V 4.4383 8.5758 112.6043 59.6368 34.5355 174.7596 37 D 4.8714 8.0056 120.2938 51.3035 41.8758 177.0025 38 L 3.8725 8.4874 119.8383 58.3940 41.6829 178.5658 39 A 4.0055 7.9550 120.0569 55.1067 18.3405 178.8829 40 N 4.2255 8.6373 115.6142 57.1005 38.9899 177.4204 41 R 4.0636 7.7968 119.1319 59.0447 30.0134 178.7750 42 Q 3.9860 8.6638 119.9241 59.1162 29.0339 178.1858 43 A 4.0318 8.3838 122.0745 54.7606 18.4112 179.4449 44 W 4.1404 8.4247 127.0040 60.5301 30.8018 177.8653 45 F 3.4122 8.7291 120.9842 61.3724 38.7020 176.8239 46 D 4.3826 8.5059 118.5516 57.5463 40.6045 178.7979 47 T 3.7965 7.9417 116.1703 66.8764 68.5505 176.7103 48 R 4.0581 7.8756 120.7591 58.4489 29.8707 178.9383 49 A 3.7489 7.6775 120.4154 55.2738 18.1587 179.8884 50 R 3.7995 7.8546 115.4440 59.4807 30.2788 178.9923 51 Q 3.8716 8.0220 117.1755 56.1670 28.3739 177.5566 52 G 3.7280 7.1593 107.0261 46.2466 0.0000 172.6550 53 Y 4.9855 7.3835 116.6611 55.6248 38.0891 174.1488 54 P 4.4234 0.0000 0.0000 62.6882 33.5195 174.9085 55 I 4.9105 8.0076 120.9793 59.6513 40.4534 174.3862 56 L 5.3147 9.2969 127.0436 53.0644 45.0198 175.9487 57 V 5.0806 8.9691 114.4815 59.6158 35.9424 174.4739 58 A 5.0531 8.9515 126.0347 50.9512 20.0427 176.3126 59 S 5.5200 9.4334 117.3944 55.6529 66.5959 172.9520 60 D 4.9315 8.3823 123.8377 51.5130 42.1770 176.4877 61 A 3.9107 8.9250 120.4352 55.6823 18.0545 179.0055 62 A 4.0443 7.9584 115.2855 53.3257 18.5284 178.2529 63 G 3.9544 8.2986 104.0145 44.8706 0.0000 173.7966 64 E 3.9767 8.3827 119.9091 55.9841 29.8759 176.5585 65 V 4.3112 8.3006 123.4213 62.4500 31.7973 175.3833 66 L 4.4162 9.1288 128.6525 56.3555 43.1438 176.6825 67 G 4.5184 7.9351 104.2582 46.2736 0.0000 171.5889 68 Y 5.6936 8.8485 117.6075 56.0988 42.1104 173.5780 69 A 5.1932 9.4280 120.6216 51.1664 23.2435 175.2330 70 S 5.0572 9.1465 114.7755 57.6072 66.8658 172.0649 71 Y 5.4089 7.8440 116.8733 55.6279 41.7064 174.8825 72 G 4.5109 8.9084 106.5403 45.1749 0.0000 171.6369 73 D 5.0468 9.1307 118.9845 54.3357 41.6654 176.1734 74 W 4.7167 8.9453 131.8175 58.9866 31.5190 176.7234 75 R 4.2693 7.5003 114.8894 53.4998 33.1783 174.3555 76 P 4.5766 0.0000 0.0000 61.6814 30.6188 175.8790 77 F 4.9839 7.6544 117.2193 56.0300 43.9348 176.3445 78 E 4.0809 9.1960 121.7997 59.4070 29.4459 179.2621 79 G 3.5617 8.2215 106.8830 47.4028 0.0000 173.7070 80 F 4.8624 8.4200 118.5403 57.1153 39.1901 177.7749 81 R 4.0328 7.9754 119.2502 59.0824 29.2475 177.6815 82 G 3.9680 8.1983 104.3149 47.2349 0.0000 173.1006 83 T 5.2819 8.3426 117.7056 61.7728 71.0340 173.9697 84 V 4.7212 8.4508 118.3322 59.4470 35.9058 174.4525 85 E 4.9586 9.2503 123.8786 54.8306 31.8285 174.9503 86 H 5.6995 8.7184 122.7498 54.3083 31.4281 174.1950 87 S 4.5487 9.2158 113.0251 56.6537 66.6188 173.1182 88 V 4.6142 7.5801 120.8931 61.3602 34.3228 173.8869 89 Y 4.6919 8.7394 125.2309 56.0371 41.3051 174.5315 90 V 4.6991 8.3195 123.2997 60.5622 34.1176 175.1346 91 R 3.9574 9.1541 128.6229 56.7917 30.5748 176.4851 92 D 4.4114 9.2504 125.9346 57.6452 41.1528 178.0049 93 D 4.5502 8.0715 115.2370 55.0228 39.7306 176.4337 94 Q 4.4903 8.1316 118.5544 55.6746 29.1302 176.0789 95 R 4.0225 7.4687 117.9625 57.4342 30.5235 176.6654 96 G 3.9071 8.8988 107.8905 46.3171 0.0000 174.1387 97 K 4.4022 7.8740 115.1182 55.1862 33.7200 176.9633 98 G 3.9489 8.2742 107.0268 46.4822 0.0000 175.8158 99 L 4.1268 7.9041 122.1138 57.3392 41.5921 179.3035 100 G 3.6218 8.0884 105.3399 47.8038 0.0000 175.6422 101 V 3.5712 7.6978 120.0957 65.8159 31.6321 177.8518 102 Q 4.0130 7.9443 117.4675 59.0080 28.5944 179.0165 103 L 3.9803 8.1590 120.0632 57.8381 41.6418 179.4429 104 L 3.9879 8.0475 120.2617 58.0254 42.1099 178.7303 105 Q 3.9858 8.6013 118.3373 59.1126 28.6829 178.9764 106 A 4.0406 8.0216 121.5893 55.0236 18.3198 179.4744 107 L 4.0209 8.1342 118.9042 58.3277 42.1225 179.1333 108 I 3.6890 8.0563 119.9895 64.5899 37.0721 178.2760 109 E 3.9794 8.1348 118.8209 59.3361 29.2843 179.6470 110 R 3.9761 8.1583 117.9725 59.2350 30.2948 178.8947 111 A 4.1317 8.3366 122.1584 54.6194 18.2874 179.8599 112 R 3.8154 8.2473 116.4290 59.4921 29.9981 179.2318 113 A 4.0504 7.9382 118.8422 54.7938 18.4074 178.7110 114 Q 4.3747 7.8871 114.2806 55.5124 29.0884 176.4252 115 G 3.9074 7.9845 108.0729 46.2614 0.0000 174.3106 116 L 4.2446 7.6149 118.5471 54.7770 42.4606 176.2458 117 H 4.6880 9.0969 120.4605 57.8150 32.0239 173.9527 118 V 4.3950 6.8749 115.9007 60.8528 35.2034 173.2033 *120 V 4.1510 8.3371 117.2115 62.9751 32.9138 175.1079 121 A 4.8196 8.6112 128.3413 50.0021 21.6939 174.9538 122 A 4.7991 8.4521 123.4870 50.1848 21.1162 175.7610 123 I 4.4083 8.3468 123.3512 59.2057 41.2548 175.0997 124 E 4.6097 8.8114 127.4258 56.6692 29.9907 178.0470 125 S 4.2483 8.5572 122.8824 60.9196 63.0678 175.7847 126 G 3.7788 8.3585 107.5324 46.9051 0.0000 174.6779 127 N 4.6382 8.1667 120.2828 52.2575 36.3867 174.6941 128 A 4.0223 8.0232 126.5029 54.3636 18.9419 178.9481 129 A 3.9090 7.9483 119.0159 55.4492 18.5192 179.6952 130 S 4.0018 8.4458 111.5239 61.5502 62.4208 176.1089 131 I 3.7471 7.8382 122.7031 64.6222 36.8960 178.6717 132 G 3.5645 8.3446 106.4475 47.4453 0.0000 175.4760 133 L 3.9509 7.7069 121.8751 58.3642 42.3944 178.6590 134 H 4.1105 8.1769 116.0117 58.7111 28.6565 177.4965 135 R 4.2859 8.1676 122.1858 59.0829 29.6867 178.5656 136 R 4.1751 8.0268 115.2087 57.8704 30.0399 177.8041 137 L 4.6784 7.7412 117.8679 54.2605 42.1305 177.1095 138 G 3.9703 8.1186 107.3094 44.8394 0.0000 174.3056 139 F 4.4903 8.2007 118.6788 57.3625 40.2698 174.1328 140 E 4.8294 8.7328 121.5121 54.2676 32.3931 176.0908 141 I 4.0944 8.4655 124.1013 61.9389 37.1522 175.9570 142 S 4.7468 9.4146 122.1946 58.6776 65.4953 174.5128 143 G 4.4686 7.8869 104.8514 45.4523 0.0000 172.2050 144 Q 5.4619 8.6818 119.9820 52.5051 33.4444 172.5605 *146 P 4.2747 0.0000 0.0000 64.0546 32.2507 176.7082 147 Q 3.8229 9.2409 119.5534 57.1897 26.5943 175.2784 148 V 3.8840 7.4540 112.2576 62.6665 32.1918 176.1658 149 G 4.3344 8.1736 108.2379 43.5206 0.0000 171.4666 150 Q 4.7546 7.8933 115.7749 54.4396 31.6574 174.0949 151 K 4.0681 8.6012 119.2972 56.4743 35.3540 174.7650 152 F 3.6767 8.6165 120.1211 58.7359 36.8892 176.4904 153 G 3.8162 8.3634 104.8879 45.8350 0.0000 174.1370 154 R 4.4402 7.3934 115.0571 53.1943 32.4734 174.6924 155 W 5.0314 8.2368 118.9677 56.9723 30.1426 175.5950 156 L 4.8250 9.1222 122.7553 53.0837 45.0745 175.3290 157 D 5.3074 8.7237 121.3283 52.7526 43.5786 174.8414 158 L 5.1264 8.4971 122.6919 53.6180 45.3280 174.8336 159 T 4.8693 8.9440 122.6381 62.0170 71.2630 174.4033 160 F 5.5027 8.9568 125.4724 55.4473 41.9921 174.5299 *162 Q 4.4357 8.2776 116.4156 56.2861 30.2880 174.1620 163 L 4.3198 7.6779 121.2542 52.8638 44.1359 174.8319 164 N 4.6916 8.3973 125.1308 52.7786 39.2305 174.7259 165 L 4.1074 8.4989 126.7855 56.8505 42.5274 177.2631 166 D 4.7283 8.3337 118.3195 51.5104 41.3304 173.5023 167 P 4.2390 0.0000 0.0000 65.3395 31.7929 178.8353 168 T 3.9708 7.7414 107.7189 63.5606 67.9800 175.1195 169 R 4.1828 7.9959 123.7443 55.6606 28.1701 176.6134 170 S 4.3377 8.3282 119.8243 60.2401 63.4167 174.6043 171 A 4.6958 7.1911 121.5665 49.2954 22.1060 174.0437 172 P 4.3514 0.0000 0.0000 63.0476 31.4107 176.4046 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 2 S 8.33 4.35 0.00 3.86 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 3 A 7.93 4.26 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 4 S 9.56 4.81 0.00 3.94 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 5 I 8.26 4.97 1.90 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 1.43 0.90 0.96 0.00 0.00 6 R 8.77 4.78 0.00 1.88 2.01 0.00 2.81 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 7 D 8.66 5.01 0.00 2.61 2.65 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 8 A 9.09 4.45 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 9 G 9.47 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.97 2.95 1.80 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 0.28 0.00 0.00 0.80 0.00 0.00 11 A 7.79 4.14 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 12 D 8.14 4.59 0.00 2.87 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 13 L 7.53 3.96 0.00 1.74 1.66 0.59 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.37 0.00 2.14 2.08 0.00 3.66 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 2.08 2.12 0.00 15 G 8.00 3.61 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 0.00 0.00 0.00 16 I 7.95 3.53 1.86 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 0.90 0.68 0.16 0.00 0.00 17 L 8.23 3.84 0.00 1.76 1.87 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.01 4.04 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 19 I 7.75 3.69 2.27 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 1.06 0.00 0.00 20 Y 8.35 3.72 0.00 2.94 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 21 N 8.79 4.36 0.00 2.86 2.87 0.00 0.00 6.73 8.04 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 22 D 8.15 4.27 0.00 2.96 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 23 A 7.91 3.98 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 24 V 7.39 3.45 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 0.86 0.00 0.00 0.47 0.00 0.00 25 G 8.14 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 0.00 0.00 0.00 26 N 8.32 5.00 0.00 2.89 2.82 0.00 0.00 6.77 6.84 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 27 T 8.03 4.83 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 1.25 0.00 0.00 28 T 8.56 4.60 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 1.36 0.00 0.00 29 A 8.14 4.21 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 30 I 7.59 4.53 1.79 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 0.90 0.83 0.66 0.00 0.00 31 W 8.70 4.80 0.00 3.26 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 32 N 7.56 5.13 0.00 2.63 2.68 0.00 0.00 7.10 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 33 E 8.67 4.37 0.00 1.85 1.89 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 1.89 2.06 0.00 34 T 7.67 4.41 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 1.23 0.00 0.00 35 P 0.00 4.65 0.00 2.21 2.07 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 36 V 8.58 4.44 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 0.80 0.00 0.00 0.80 0.00 0.00 37 D 8.01 4.87 0.00 2.87 2.78 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 38 L 8.49 3.87 0.00 1.75 1.69 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.95 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 40 N 8.64 4.23 0.00 2.74 2.98 0.00 0.00 7.24 7.62 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 41 R 7.80 4.06 0.00 1.92 2.01 0.00 2.40 0.00 0.00 2.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 42 Q 8.66 3.99 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 43 A 8.38 4.03 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 44 W 8.42 4.14 0.00 3.36 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 45 F 8.73 3.41 0.00 3.22 3.13 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 46 D 8.51 4.38 0.00 2.92 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 47 T 7.94 3.80 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 1.23 0.00 0.00 48 R 7.88 4.06 0.00 1.36 1.80 0.00 3.30 0.00 0.00 3.51 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.00 49 A 7.68 3.75 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 50 R 7.85 3.80 0.00 1.86 1.93 0.00 3.13 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 51 Q 8.02 3.87 0.00 1.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.92 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 52 G 7.16 3.73 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 53 Y 7.38 4.99 0.00 2.71 2.52 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 54 P 0.00 4.42 0.00 1.99 2.07 0.00 2.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.78 0.00 55 I 8.01 4.91 1.70 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.31 1.15 0.00 0.00 56 L 9.30 5.31 0.00 1.62 1.60 0.97 0.66 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 57 V 8.97 5.08 2.20 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 0.89 0.00 0.00 1.07 0.00 0.00 58 A 8.95 5.05 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 59 S 9.43 5.52 0.00 3.91 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 60 D 8.38 4.93 0.00 2.84 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 61 A 8.93 3.91 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 62 A 7.96 4.04 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 63 G 8.30 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.38 3.98 0.00 2.45 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 2.35 2.27 0.00 65 V 8.30 4.31 2.15 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 0.96 0.00 0.00 1.03 0.00 0.00 66 L 9.13 4.42 0.00 1.72 1.73 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.94 4.52 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 68 Y 8.85 5.69 0.00 3.39 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 69 A 9.43 5.19 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 70 S 9.15 5.06 0.00 4.29 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 71 Y 7.84 5.41 0.00 2.99 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 72 G 8.91 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 9.13 5.05 0.00 2.83 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 74 W 8.95 4.72 0.00 3.17 3.26 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 75 R 7.50 4.27 0.00 0.67 1.18 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 76 P 0.00 4.58 0.00 1.80 1.92 0.00 3.56 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.74 0.00 77 F 7.65 4.98 0.00 3.45 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 78 E 9.20 4.08 0.00 2.20 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 0.00 2.45 2.36 0.00 79 G 8.22 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 0.00 0.00 0.00 80 F 8.42 4.86 0.00 3.54 3.28 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 81 R 7.98 4.03 0.00 2.05 2.18 0.00 3.10 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 82 G 8.20 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 83 T 8.34 5.28 4.68 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 1.06 0.00 0.00 84 V 8.45 4.72 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.25 0.00 0.00 85 E 9.25 4.96 0.00 2.22 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 2.27 2.46 0.00 86 H 8.72 5.70 0.00 3.50 3.41 0.00 5.56 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 9.22 4.55 0.00 3.52 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 88 V 7.58 4.61 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 0.73 0.00 0.00 0.89 0.00 0.00 89 Y 8.74 4.69 0.00 2.35 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 90 V 8.32 4.70 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 91 R 9.15 3.96 0.00 2.11 1.84 0.00 3.22 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 92 D 9.25 4.41 0.00 2.81 2.69 0.00 0.00 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 0.00 0.00 127 N 8.17 4.64 0.00 2.82 2.85 0.00 0.00 6.95 7.46 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 0.00 128 A 8.02 4.02 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 0.00 129 A 7.95 3.91 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 0.00 130 S 8.45 4.00 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.75 1.87 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 1.41 0.68 0.91 0.00 0.00 132 G 8.34 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 0.00 0.00 0.00 133 L 7.71 3.95 0.00 1.78 1.88 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.18 4.11 0.00 3.28 3.01 0.00 5.89 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 0.00 135 R 8.17 4.29 0.00 1.90 2.12 0.00 3.16 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 136 R 8.03 4.18 0.00 1.85 1.99 0.00 3.20 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 137 L 7.74 4.68 0.00 1.90 1.80 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.12 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 0.00 139 F 8.20 4.49 0.00 3.03 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 0.00 140 E 8.73 4.83 0.00 1.81 1.83 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 2.23 2.23 0.00 141 I 8.47 4.09 1.90 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 1.37 0.50 0.95 0.00 0.00 142 S 9.41 4.75 0.00 3.70 3.87 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 0.00 143 G 7.89 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 0.00 144 Q 8.68 5.46 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.45 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 *146 P 0.00 4.27 0.00 2.20 2.22 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 147 Q 9.24 3.82 0.00 1.85 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 148 V 7.45 3.88 2.20 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 0.73 0.00 0.00 1.11 0.00 0.00 149 G 8.17 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 0.00 150 Q 7.89 4.75 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 151 K 8.60 4.07 0.00 1.20 1.01 0.00 1.44 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.79 7.81 152 F 8.62 3.68 0.00 3.14 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 0.00 153 G 8.36 3.82 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 0.00 0.00 0.00 154 R 7.39 4.44 0.00 1.88 1.90 0.00 2.76 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 155 W 8.24 5.03 0.00 3.16 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 0.00 156 L 9.12 4.83 0.00 0.44 0.96 -0.42 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.72 5.31 0.00 2.66 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 0.00 158 L 8.50 5.13 0.00 1.73 1.30 0.24 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 159 T 8.94 4.87 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 1.25 0.00 0.00 160 F 8.96 5.50 0.00 3.02 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 *162 Q 8.28 4.44 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 163 L 7.68 4.32 0.00 0.27 0.52 0.61 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.40 4.69 0.00 2.55 2.57 0.00 0.00 7.27 7.78 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 0.00 165 L 8.50 4.11 0.00 1.68 1.62 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.33 4.73 0.00 2.59 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 0.00 167 P 0.00 4.24 0.00 2.18 2.12 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 168 T 7.74 3.97 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 169 R 8.00 4.18 0.00 2.04 1.98 0.00 3.07 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 170 S 8.33 4.34 0.00 3.88 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 0.00 171 A 7.19 4.70 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 0.00 172 P 0.00 4.35 0.00 2.15 1.98 0.00 3.76 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 1.95 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.