NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5646 8.1633 118.3394 55.3005 33.5808 173.5204 2 I 4.8121 8.2053 120.2830 59.5028 39.6686 173.4090 3 S 5.3943 10.1463 123.4634 56.8026 67.7713 172.5166 4 L 5.4066 8.8058 122.2460 53.1488 44.3647 175.4060 5 I 5.6938 8.5855 122.1272 58.4515 41.0572 174.0129 6 A 4.7739 8.3867 127.6526 51.3086 22.6755 174.3744 7 A 5.0635 8.7386 120.8097 50.1432 21.3371 175.9013 8 L 4.9836 9.0748 122.6010 53.0834 45.3403 176.6967 9 A 4.8657 8.6411 124.9238 49.5133 22.3472 176.6393 10 V 3.7420 8.1294 110.6335 63.5879 31.9040 177.0902 11 D 4.5474 9.0998 121.8765 54.9221 37.8745 174.4106 12 R 4.0343 8.1420 116.0121 57.1223 28.2447 175.9972 13 V 4.3251 7.4046 117.4243 62.9167 32.5816 174.9659 14 I 5.1795 8.4032 119.9083 58.6114 40.9438 175.2005 15 G 3.7047 8.8216 109.5387 46.9819 0.0000 172.5191 16 M 4.5887 8.6835 119.5908 56.5028 34.1304 175.5677 17 E 4.6490 7.8372 114.9685 57.6243 34.2500 174.9887 18 N 4.5144 7.8739 114.4632 52.2751 39.4248 175.0162 19 A 3.9866 8.1504 123.6034 52.3384 19.0962 177.7092 20 M 3.7447 7.8036 121.0189 54.3555 32.8337 176.0560 21 P 4.4997 0.0000 0.0000 60.5996 29.7556 174.7865 22 W 4.9678 6.8459 117.5649 56.4790 31.1507 174.9007 23 N 4.9259 9.4405 117.5550 52.3158 39.9217 172.6932 24 L 4.6851 8.0842 125.9306 51.1051 42.5118 175.5320 25 P 4.2791 0.0000 0.0000 65.2720 31.6230 177.6810 26 A 4.0530 8.5418 120.1342 55.1727 18.2570 179.1915 27 D 4.5538 7.6039 116.1022 57.3908 41.3014 178.3021 28 L 4.1509 8.0635 119.5102 57.5067 41.5103 179.2337 29 A 4.0394 8.2145 121.1049 54.7428 18.3921 179.5304 30 W 3.9313 8.1866 126.6031 60.4240 30.6179 177.9971 31 F 3.9230 8.6034 120.7064 61.0366 38.7824 176.9780 32 K 3.7422 8.4407 119.3184 59.6128 31.8684 178.5646 33 R 3.6992 7.8656 117.8070 59.3870 29.9821 177.4428 34 N 4.1460 7.2981 113.5926 53.8864 39.1461 175.6304 35 T 4.0508 6.8113 109.1510 60.7298 70.5731 174.0872 36 L 3.8727 7.3698 124.2585 56.9527 42.2833 176.2159 37 D 4.5334 9.0086 123.5479 54.8787 38.5920 173.4491 38 K 4.8148 7.5784 117.8562 53.7064 36.5357 173.8158 39 P 4.7541 0.0000 0.0000 62.6575 33.3763 175.2899 40 V 4.9026 8.8034 114.5627 59.6893 35.6362 174.4923 41 I 5.0279 8.6833 125.7483 59.6921 39.8603 174.6576 42 M 5.2118 8.8899 123.1868 53.7965 35.6444 174.6135 43 G 4.1377 8.7578 107.7026 45.0928 0.0000 174.9395 44 R 4.2261 8.6455 118.5205 59.7963 29.9746 178.0815 45 H 4.2621 8.1879 115.6572 59.0836 28.7221 177.7204 46 T 3.8995 7.9685 117.1740 66.2106 68.3142 176.1380 47 W 4.3998 8.2403 130.2290 60.8385 30.5097 177.8926 48 E 3.6637 8.0445 116.9190 59.3591 28.9085 179.2599 49 S 4.1882 7.8280 114.4120 61.4737 62.9368 176.5710 50 I 3.7450 7.5201 121.7246 63.8034 37.0457 177.8237 51 G 3.6407 7.8672 105.5378 44.2668 0.0000 173.0371 52 R 4.2396 6.5042 114.8823 54.8271 30.9389 172.3042 53 P 4.7585 0.0000 0.0000 62.7797 31.9104 176.3319 54 L 4.2971 9.2068 122.9209 53.7784 41.2152 175.6592 55 P 4.3422 0.0000 0.0000 63.5367 32.1655 177.0523 56 G 3.9319 9.0033 108.4168 46.0621 0.0000 172.9474 57 R 4.9417 7.2426 116.7221 53.9375 34.6909 174.6159 58 K 4.2380 8.2390 122.3356 55.7447 33.7433 175.2109 59 N 4.9772 8.6533 125.5145 52.2161 40.2958 173.9838 60 I 4.6426 8.3902 125.3671 59.4249 40.2714 174.7098 61 I 4.4378 8.5769 129.6115 59.3988 38.9317 174.5652 62 L 4.9075 8.7730 130.9682 54.3515 43.0669 175.2277 63 S 4.8765 9.2455 119.9595 57.6815 66.1445 175.6348 64 S 4.4583 8.9867 118.0505 59.2334 63.5150 173.6334 65 Q 4.5915 7.9257 123.3705 54.2312 31.0520 173.3797 *66 P 4.4386 0.0000 0.0000 61.6231 31.3952 172.0445 67 G 2.0000 7.7904 114.6841 44.8470 0.0000 174.1846 68 T 4.1484 6.9096 117.0755 61.0850 69.1579 170.6095 69 D 5.0222 7.8530 119.1576 53.6448 44.2984 174.6803 70 D 4.6655 8.8373 124.2525 54.9498 40.0644 177.1923 71 R 4.2618 8.3733 118.0564 57.2384 30.4671 175.9589 72 V 4.4606 7.2170 109.7438 59.6280 36.0883 174.6690 73 T 4.4195 8.6541 118.8198 62.3077 70.1177 174.1019 74 W 5.1097 8.8012 125.8508 55.0921 31.0826 175.7261 75 V 4.6695 9.3911 120.3828 60.2808 34.7368 177.2406 76 K 4.9022 9.1027 122.0139 54.0080 33.0499 177.6451 77 S 4.7979 7.6483 111.2532 56.6437 67.5478 175.1213 78 V 3.6781 8.2128 121.2637 66.1973 31.1690 177.8421 79 D 4.3665 7.9989 118.1677 57.4446 40.7321 178.2632 80 E 3.9516 8.6237 119.2782 59.3695 29.2286 179.3310 81 A 4.0104 7.9557 119.5712 55.3710 18.9570 179.4193 82 I 3.8541 8.4395 118.4774 64.4537 37.1851 178.4994 83 A 4.0005 8.3711 121.6351 55.2044 18.0070 179.3972 84 A 3.9882 8.0269 118.2111 55.6884 18.4003 179.4143 85 C 4.2077 7.7244 114.1909 62.3449 28.5752 175.0583 86 G 3.6484 8.1601 107.6806 44.6387 0.0000 172.4958 87 D 4.6531 8.3599 119.4288 52.7993 40.2631 176.7090 88 V 4.6048 7.7076 118.0471 58.2021 35.5602 174.5184 89 P 4.3952 0.0000 0.0000 65.4478 31.4019 176.5157 90 E 4.9723 7.8004 117.7068 54.3763 32.8736 174.3603 91 I 4.5076 9.0988 127.3566 59.7949 40.2539 174.2259 92 M 4.8629 8.6831 126.2386 53.6658 34.3293 175.0959 93 V 4.4343 9.1310 125.1095 61.2459 32.9599 175.3907 94 I 4.5685 8.5909 121.7379 60.8330 38.5265 175.9825 95 G 2.9467 7.8767 109.7398 44.4624 0.0000 172.9820 96 G 3.9554 7.7852 105.7769 43.9367 0.0000 173.8876 97 G 4.0980 8.9294 106.4403 48.5665 0.0000 175.6808 98 R 3.9652 7.9795 120.4371 58.6658 30.0150 179.1593 99 V 3.7316 7.7436 117.5763 66.3832 31.5756 177.5898 100 Y 4.3834 8.1620 116.8688 60.9821 37.4156 178.0437 101 E 4.0020 8.2527 119.1155 59.7852 29.6904 179.2601 102 Q 4.0371 8.1905 116.6850 58.2487 29.0776 177.8425 103 F 4.4293 8.1329 117.3590 57.6322 39.5355 177.4567 104 L 4.0882 8.0629 121.4427 58.0711 41.6090 177.0558 105 P 4.3073 0.0000 0.0000 65.7828 30.9956 177.4510 106 K 4.2976 7.9800 115.4039 56.0953 32.8139 177.0178 107 A 4.5716 7.9781 125.4786 52.9952 19.1471 177.7845 108 Q 4.7291 9.0986 120.1972 55.6967 31.0214 174.8839 109 K 5.4287 8.1110 117.1278 55.9557 36.3415 174.4997 110 L 5.3043 8.8593 123.9638 53.1778 46.0164 175.0477 111 Y 5.2477 9.5154 121.5443 56.4859 40.3883 174.6643 112 L 5.1211 9.4874 124.7696 53.0334 45.7645 176.0547 113 T 4.7147 8.5245 118.9998 62.2208 71.0294 173.0460 114 H 4.9456 9.0613 125.6851 54.7465 30.4905 174.4983 115 I 4.5262 8.6082 125.2004 58.9122 39.1764 176.3798 116 D 5.0384 8.3745 128.7733 53.7067 38.0854 175.7782 117 A 4.7907 7.5461 120.9229 50.1407 23.4586 176.0976 118 E 4.7280 8.9785 121.7147 54.8657 30.3721 175.8002 119 V 4.4852 8.1510 123.2487 60.7031 34.3966 174.5960 120 E 4.3010 8.7570 126.0250 55.9889 30.1369 176.3046 121 G 4.2103 8.1278 110.5757 44.7919 0.0000 172.8264 122 D 4.5127 8.6992 120.1643 57.1143 41.6172 177.5815 123 T 4.5613 7.5947 115.0483 63.2944 70.1359 173.6275 124 H 5.5544 8.6204 120.2080 53.7024 32.9711 173.0811 125 F 4.4919 9.2006 123.4866 57.4110 39.8739 173.4641 126 P 4.2093 0.0000 0.0000 62.6923 31.7316 175.5629 127 D 4.5207 8.6418 121.1414 54.2043 41.5374 174.9871 128 Y 4.8349 8.3338 124.5763 55.0972 40.1710 175.2149 129 E 4.3243 8.9634 125.4962 53.9703 28.9438 174.1628 130 P 4.4508 0.0000 0.0000 66.3881 31.6265 179.0025 131 D 4.6806 8.2412 114.9597 55.1589 39.9931 179.8826 132 D 4.7610 8.9251 116.9053 54.8125 41.7573 176.1067 133 W 5.2516 8.6103 118.9399 54.5841 32.7792 173.9266 134 E 4.6891 9.8582 124.0671 54.5592 31.1717 174.6737 135 S 4.9431 8.8968 122.4905 58.2874 62.6599 173.7362 136 V 4.4407 8.4174 120.1394 61.1134 32.6981 175.8463 137 F 4.8068 7.9530 120.9808 57.4930 42.7435 172.6094 138 S 4.7864 7.5118 119.3796 57.1221 65.5998 172.9880 139 E 4.3551 9.1905 128.4125 54.7851 32.6119 173.6640 140 F 4.7675 8.7043 129.3826 57.5492 41.1918 174.4576 141 H 4.3659 7.0806 120.5234 53.8360 32.8543 173.0789 142 D 4.9428 8.5130 121.6393 52.9826 41.8705 175.9058 143 A 4.5509 8.3151 122.0490 52.5836 19.5160 176.8437 144 D 4.4769 8.6574 116.7661 52.7274 41.8080 175.7563 145 A 3.9316 8.7028 120.6697 54.8915 18.5156 178.4720 146 Q 4.4325 8.8636 113.6794 55.9197 30.6966 175.4107 147 N 5.1269 7.9104 116.0943 51.0316 39.8323 175.8477 148 S 4.1372 9.0042 119.8171 61.2541 63.1857 173.5648 149 H 4.9993 7.6623 115.4095 53.9552 33.2482 173.2569 150 S 4.4065 8.5920 115.4515 59.0136 64.1042 173.2328 151 Y 4.9269 7.4703 120.1704 55.8476 41.8164 173.1233 152 C 4.7983 8.7811 121.3824 57.5785 34.8561 172.9216 153 F 4.8582 8.3163 125.5426 57.1768 40.2234 174.4877 154 E 5.3300 9.4085 123.0945 54.9586 33.6150 173.6270 155 I 5.0839 9.0946 127.0219 59.5598 40.4170 174.5433 156 L 5.4894 9.0243 125.8882 52.9978 45.6012 175.1779 157 E 5.2850 9.3008 122.0553 54.3519 32.6122 175.3556 158 R 3.7499 8.8066 125.9454 55.9727 30.6017 176.4615 159 R 4.2157 8.0216 122.6695 56.2315 29.3192 176.1634 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 8.16 4.56 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 2 I 8.21 4.81 2.01 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 1.42 0.85 1.07 0.00 0.00 3 S 10.15 5.39 0.00 3.88 4.10 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 4 L 8.81 5.41 0.00 1.79 1.75 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.59 5.69 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 1.03 0.00 0.00 6 A 8.39 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.74 5.06 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 8 L 9.07 4.98 0.00 1.50 1.57 0.79 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.64 4.87 1.62 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 10 V 8.13 3.74 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 0.88 0.00 0.00 0.97 0.00 0.00 11 D 9.10 4.55 0.00 2.93 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 12 R 8.14 4.03 0.00 2.26 2.27 0.00 3.15 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 13 V 7.40 4.33 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 1.04 0.00 0.00 0.99 0.00 0.00 14 I 8.40 5.18 2.10 0.00 0.00 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 1.47 1.00 1.25 0.00 0.00 15 G 8.82 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 0.00 0.00 0.00 16 M 8.68 4.59 0.00 1.92 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 2.44 2.43 0.00 17 E 7.84 4.65 0.00 1.86 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 2.18 2.34 0.00 18 N 7.87 4.51 0.00 2.69 2.66 0.00 0.00 6.85 7.35 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 19 A 8.15 3.99 1.11 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 20 M 7.80 3.74 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 21 P 0.00 4.50 0.00 2.16 2.01 0.00 3.23 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 22 W 6.85 4.97 0.00 3.25 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 23 N 9.44 4.93 0.00 2.73 2.74 0.00 0.00 7.34 7.37 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 24 L 8.08 4.69 0.00 1.50 1.08 0.09 0.93 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 25 P 0.00 4.28 0.00 2.08 2.11 0.00 4.11 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 26 A 8.54 4.05 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 27 D 7.60 4.55 0.00 2.46 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 28 L 8.06 4.15 0.00 1.90 1.75 0.92 0.52 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 29 A 8.21 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.19 3.93 0.00 2.97 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 31 F 8.60 3.92 0.00 3.31 3.36 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 32 K 8.44 3.74 0.00 2.02 1.91 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 33 R 7.87 3.70 0.00 1.75 1.97 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 34 N 7.30 4.15 0.00 1.98 1.83 0.00 0.00 6.87 7.08 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 35 T 6.81 4.05 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 0.37 0.00 0.00 36 L 7.37 3.87 0.00 1.66 1.51 0.89 1.11 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 37 D 9.01 4.53 0.00 2.77 2.70 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 38 K 7.58 4.81 0.00 1.70 1.53 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.39 7.81 39 P 0.00 4.75 0.00 2.12 2.10 0.00 3.46 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 2.01 2.06 0.00 40 V 8.80 4.90 2.06 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 0.68 0.00 0.00 0.98 0.00 0.00 41 I 8.68 5.03 1.51 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.53 0.75 0.00 0.00 42 M 8.89 5.21 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 43 G 8.76 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 0.00 0.00 0.00 44 R 8.65 4.23 0.00 2.10 2.00 0.00 3.66 0.00 0.00 3.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 45 H 8.19 4.26 0.00 3.33 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.97 3.90 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 1.23 0.00 0.00 47 W 8.24 4.40 0.00 3.30 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 48 E 8.04 3.66 0.00 2.11 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 0.00 2.65 2.52 0.00 49 S 7.83 4.19 0.00 3.94 3.85 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 50 I 7.52 3.75 1.84 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 1.37 0.61 0.88 0.00 0.00 51 G 7.87 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 52 R 6.50 4.24 0.00 1.89 1.84 0.00 3.09 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.00 53 P 0.00 4.76 0.00 2.14 2.14 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 54 L 9.21 4.30 0.00 1.73 1.68 1.14 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.34 0.00 2.18 1.96 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 56 G 9.00 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 0.00 0.00 0.00 57 R 7.24 4.94 0.00 1.77 1.79 0.00 3.08 0.00 0.00 2.97 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.47 0.00 58 K 8.24 4.24 0.00 1.83 1.62 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.35 7.81 59 N 8.65 4.98 0.00 2.59 2.57 0.00 0.00 6.91 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 60 I 8.39 4.64 1.91 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 1.15 0.64 0.83 0.00 0.00 61 I 8.58 4.44 0.78 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.51 0.00 0.00 62 L 8.77 4.91 0.00 1.74 1.61 1.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.25 4.88 0.00 3.97 3.85 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 64 S 8.99 4.46 0.00 4.04 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 65 Q 7.93 4.59 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 *66 P 0.00 4.44 0.00 2.09 1.83 0.00 3.75 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 1.94 1.58 0.00 67 G 7.79 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.91 4.15 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 69 D 7.85 5.02 0.00 3.02 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 70 D 8.84 4.67 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 79 D 8.00 4.37 0.00 2.81 2.71 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 80 E 8.62 3.95 0.00 2.18 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 2.35 2.36 0.00 81 A 7.96 4.01 1.51 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 82 I 8.44 3.85 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.97 0.00 0.00 83 A 8.37 4.00 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 84 A 8.03 3.99 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 85 C 7.72 4.21 0.00 3.09 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 86 G 8.16 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 0.00 0.00 0.00 87 D 8.36 4.65 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 88 V 7.71 4.60 2.06 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 0.80 0.00 0.00 0.95 0.00 0.00 89 P 0.00 4.40 0.00 2.16 2.17 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 90 E 7.80 4.97 0.00 1.94 1.76 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 2.17 2.38 0.00 91 I 9.10 4.51 1.86 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 1.20 0.57 0.82 0.00 0.00 92 M 8.68 4.86 0.00 1.73 1.79 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 2.26 2.44 0.00 93 V 9.13 4.43 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 0.72 0.00 0.00 0.28 0.00 0.00 94 I 8.59 4.57 2.15 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 1.29 0.81 1.03 0.00 0.00 95 G 7.88 2.95 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 96 G 7.79 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 97 G 8.93 4.10 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 98 R 7.98 3.97 0.00 1.87 2.03 0.00 3.52 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 99 V 7.74 3.73 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 1.10 0.00 0.00 1.01 0.00 0.00 100 Y 8.16 4.38 0.00 3.04 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 0.00 101 E 8.25 4.00 0.00 2.16 2.05 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 2.36 2.38 0.00 102 Q 8.19 4.04 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 103 F 8.13 4.43 0.00 3.19 3.25 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 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0.00 1.34 1.14 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.52 4.71 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 0.94 0.00 0.00 114 H 9.06 4.95 0.00 3.00 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.61 4.53 1.28 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.82 0.40 0.00 0.00 116 D 8.37 5.04 0.00 2.59 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 0.00 117 A 7.55 4.79 1.22 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 0.00 0.00 0.00 118 E 8.98 4.73 0.00 2.01 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 2.29 2.32 0.00 119 V 8.15 4.49 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 0.82 0.00 0.00 1.07 0.00 0.00 120 E 8.76 4.30 0.00 2.00 1.88 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 2.32 2.31 0.00 121 G 8.13 4.21 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 0.00 122 D 8.70 4.51 0.00 2.69 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 0.00 123 T 7.59 4.56 4.44 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 1.31 0.00 0.00 124 H 8.62 5.55 0.00 3.08 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.20 4.49 0.00 3.00 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 0.00 126 P 0.00 4.21 0.00 1.89 1.89 0.00 2.20 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.84 0.00 127 D 8.64 4.52 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 0.00 128 Y 8.33 4.83 0.00 3.00 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 0.00 129 E 8.96 4.32 0.00 2.23 2.05 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 2.34 1.89 0.00 130 P 0.00 4.45 0.00 2.31 2.35 0.00 3.52 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 131 D 8.24 4.68 0.00 2.69 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 0.00 132 D 8.93 4.76 0.00 3.06 2.44 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 0.00 133 W 8.61 5.25 0.00 3.36 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 0.00 134 E 9.86 4.69 0.00 1.95 1.98 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 2.29 2.29 0.00 135 S 8.90 4.94 0.00 4.12 3.85 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 0.00 136 V 8.42 4.44 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 0.80 0.00 0.00 1.14 0.00 0.00 137 F 7.95 4.81 0.00 3.18 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 0.00 138 S 7.51 4.79 0.00 3.78 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 9.19 4.36 0.00 1.46 1.73 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 2.13 2.24 0.00 140 F 8.70 4.77 0.00 2.94 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 0.00 141 H 7.08 4.37 0.00 1.40 2.24 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.51 4.94 0.00 2.49 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 0.00 143 A 8.32 4.55 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 0.00 144 D 8.66 4.48 0.00 2.88 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 0.00 145 A 8.70 3.93 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 0.00 146 Q 8.86 4.43 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 147 N 7.91 5.13 0.00 3.00 2.72 0.00 0.00 6.60 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 0.00 148 S 9.00 4.14 0.00 3.96 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 0.00 149 H 7.66 5.00 0.00 2.89 3.18 0.00 5.89 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 0.00 150 S 8.59 4.41 0.00 3.78 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 0.00 151 Y 7.47 4.93 0.00 2.48 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 C 8.78 4.80 0.00 2.99 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 0.00 153 F 8.32 4.86 0.00 2.81 1.85 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 0.00 154 E 9.41 5.33 0.00 2.05 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 2.26 2.52 0.00 155 I 9.09 5.08 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.36 0.63 0.00 0.00 156 L 9.02 5.49 0.00 1.38 1.68 0.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.30 5.29 0.00 1.91 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 2.25 2.26 0.00 158 R 8.81 3.75 0.00 1.03 1.51 0.00 3.09 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 159 R 8.02 4.22 0.00 2.07 1.84 0.00 3.26 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 * Residues marked with a * may have inaccurate shift predictions.