NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3763 8.0333 117.3800 62.6712 70.2988 174.5186 6 P 4.1176 0.0000 0.0000 65.6729 31.5083 177.9970 7 D 4.4382 8.9054 120.7698 58.7487 39.9875 180.2198 8 T 4.1216 7.6871 116.3578 66.5111 68.5660 176.4634 9 D 4.4724 8.6688 121.1436 57.5661 40.9130 179.0655 10 V 3.4016 8.2115 121.3637 66.6819 31.5249 178.5809 11 E 3.9266 7.8951 117.5455 61.1965 29.6714 181.0352 12 Q 4.1996 8.3252 119.4591 58.6592 28.7197 178.8951 13 V 2.8548 7.5738 119.8168 65.4908 31.4024 178.3860 14 G 3.4175 7.7246 105.5284 47.5202 0.0000 175.7821 15 L 3.9815 7.5431 120.5769 57.4783 41.8164 179.3395 16 A 3.9449 7.6750 120.5799 54.9495 18.1091 179.1731 17 N 4.4921 7.9586 115.7072 57.3422 39.0631 177.2135 18 T 3.9537 8.0615 116.8611 66.6806 68.5262 176.4247 19 A 4.0998 8.0483 122.5686 54.6237 18.1531 179.2504 20 F 4.0943 7.7378 118.5458 61.7414 39.5241 176.4597 21 Y 3.3148 6.9737 115.4232 60.9457 38.1066 178.4903 22 E 4.4161 8.4575 120.4777 58.5853 29.3721 179.5604 23 A 3.9929 7.7852 117.2003 53.1053 17.6181 178.8354 *25 E 4.0530 8.1716 122.4982 57.2472 31.3943 177.5829 26 R 4.4716 7.9159 111.7383 55.1495 29.8203 176.0960 27 G 3.8629 7.9615 105.5946 47.5349 0.0000 175.0459 28 D 4.6802 8.6063 122.1394 52.3876 40.0044 175.2248 29 F 4.1994 8.4569 127.2725 60.6794 39.7561 175.8239 30 E 3.9008 8.3202 118.5208 59.6835 29.3173 178.8699 31 T 3.8644 7.7533 114.0432 66.3425 68.8708 176.2158 32 L 4.0426 7.8217 122.3130 58.3675 41.8339 179.2464 33 S 3.9914 8.1165 115.6637 61.4176 62.5003 176.4990 34 S 4.2664 7.7118 115.0173 60.1577 63.2589 175.4866 35 L 4.2515 7.7071 122.1222 54.4966 41.7498 175.7061 36 W 4.6853 7.1648 119.4092 54.9299 30.0295 176.2606 37 L 4.3003 8.7838 127.5247 56.1982 42.2082 176.3182 38 T 4.8011 8.8990 113.8696 58.8312 71.9571 173.3678 39 P 4.1647 0.0000 0.0000 65.2099 31.3737 178.8027 40 A 3.9962 7.5543 119.6425 54.9928 17.9663 179.2281 41 D 4.3363 8.1607 116.9887 56.5868 40.8872 177.7689 42 L 4.4322 7.8474 117.7545 54.2099 42.5587 177.4716 43 G 3.8570 7.5355 106.2839 45.1201 0.0000 174.0976 44 V 3.8649 7.3340 121.5458 64.0945 32.7995 174.7056 45 D 4.5151 8.1893 117.8808 53.5073 44.8019 170.5844 *51 P 4.5376 0.0000 0.0000 63.5554 32.0694 177.0585 52 A 4.6939 8.5926 128.7104 52.7290 19.2929 176.3942 53 D 4.5757 8.2318 115.9635 56.1040 38.6734 173.5877 54 A 3.9505 7.2036 120.1501 54.0684 18.5154 179.0831 55 G 3.4623 8.5544 110.1685 45.4835 0.0000 173.4587 56 V 3.7859 7.7630 120.1945 62.6461 31.6567 176.2198 57 V 4.8924 8.3693 121.0274 61.3813 33.6847 175.1270 58 S 5.1111 8.9962 115.8682 57.7312 67.1053 172.4867 59 C 5.2218 8.9468 120.2775 58.1284 35.4895 172.7648 60 V 4.5184 8.8709 125.8326 61.3846 33.7458 174.4720 61 H 4.7126 8.2080 125.1065 54.0488 30.5174 173.2269 62 P 4.4888 0.0000 0.0000 64.6801 31.2037 177.1104 63 G 4.0277 9.1138 111.3041 45.3828 0.0000 172.8374 64 W 4.6542 8.4065 120.0436 54.4989 30.4768 174.1841 65 P 4.6388 0.0000 0.0000 62.1112 32.1390 175.4369 66 V 3.9722 8.1375 118.1926 62.6727 32.3486 175.1219 67 L 4.9575 9.0489 127.9071 53.2086 43.9123 175.5310 68 S 5.0204 9.5822 119.9864 57.7838 65.8762 174.5790 69 G 4.0969 9.3532 110.9883 46.0694 0.0000 174.4739 70 R 3.8400 8.6065 121.0264 59.0375 29.9607 179.2871 71 G 3.5768 7.9559 104.9746 48.0154 0.0000 175.4458 72 E 4.0212 8.0540 121.2966 58.6880 29.6169 179.6217 73 V 3.3711 7.6521 118.3073 65.9703 31.5288 178.1892 74 L 4.0915 8.1765 119.1811 57.7667 41.4520 179.2909 75 R 3.9458 8.0966 119.0065 59.6216 29.8462 178.7240 76 S 4.2165 7.9863 113.7111 61.7085 62.8022 176.1468 77 Y 3.9136 7.7273 118.8563 60.4958 37.6616 177.8383 78 A 4.0476 8.3718 121.3131 54.9885 18.5433 179.1772 79 L 4.1228 7.6760 117.5203 58.3022 42.5497 180.0198 80 I 3.7904 7.8535 116.2416 62.2091 36.5277 177.6344 *82 A 4.2969 7.9456 124.6054 51.8948 20.1549 178.0343 83 N 4.7822 7.8873 110.2442 53.2825 39.0372 174.6895 84 T 4.5724 7.5832 115.7684 61.6654 70.4654 173.6037 85 E 4.2560 8.9786 128.2928 59.0658 30.6943 176.4671 86 Y 4.7895 7.9556 120.5714 56.3394 42.5710 173.6114 87 I 4.7888 7.5942 125.6916 59.4475 41.6189 173.9624 88 Q 4.3309 8.7444 126.5253 54.1218 33.1441 173.7186 89 F 4.8562 9.1771 122.4003 55.6843 41.2695 175.4932 90 F 4.7186 8.9831 122.4655 55.4689 40.7685 174.2190 91 L 4.7077 8.4013 124.1709 54.6419 42.3303 176.6501 92 T 4.6105 8.4596 112.7215 59.8796 72.8427 172.7989 93 D 4.5280 8.7436 118.1199 55.2124 39.5339 173.8604 94 V 4.0133 7.9416 117.5168 62.9312 32.3592 174.3325 95 H 4.9687 9.4860 128.2487 54.2491 32.8136 172.1601 96 V 4.7287 8.1008 124.7039 60.9965 34.0109 174.3432 97 S 4.5420 9.0174 122.2238 56.5041 65.1778 172.4174 98 V 4.6834 8.4418 127.2923 61.4476 33.3266 174.9851 99 T 4.5359 8.7960 124.7161 62.4759 71.8030 175.1793 100 G 4.0156 8.6254 118.8974 47.2213 0.0000 173.0751 101 D 4.9470 9.0264 123.7362 53.7546 41.2729 174.7620 102 T 5.6292 8.1073 115.5979 61.8445 72.3170 172.8926 103 A 5.1390 9.5296 126.5716 50.0088 22.6713 174.5085 104 L 5.0824 8.9948 124.1045 53.2779 44.7269 175.1285 105 V 4.9738 9.0716 127.1470 61.2589 34.1548 174.2307 106 T 5.3543 8.7327 117.8801 60.3411 71.7515 172.7242 107 C 5.1374 8.9199 117.4443 57.7687 34.1640 172.4450 108 T 4.7595 8.9183 116.8380 62.5206 69.9136 174.3009 109 E 4.6444 9.1363 127.4628 55.4033 30.6522 175.5012 110 N 5.0687 8.7673 124.4759 52.1783 39.3578 173.8926 111 I 4.4559 8.5273 125.4946 59.4909 39.3354 174.5778 112 L 5.3398 8.7331 129.6034 53.2845 44.4261 175.2527 113 S 5.2775 9.7345 120.3605 56.9354 66.9127 173.0718 114 G 4.4635 9.4607 107.4596 45.0166 0.0000 172.1608 115 G 4.2836 8.3834 108.0980 43.6129 0.0000 171.1252 116 P 4.9068 0.0000 0.0000 61.7593 31.3656 175.2933 117 P 4.5759 0.0000 0.0000 61.7671 32.1640 175.7570 118 P 4.3568 0.0000 0.0000 65.2517 31.9111 175.2170 119 D 4.5118 7.3415 118.2507 52.7584 42.1318 175.1573 120 D 4.6597 8.5896 116.7526 53.7337 39.2632 177.1855 121 S 4.4305 10.1578 114.2894 59.4522 63.6846 173.6851 122 D 5.0057 7.7249 120.0828 52.4742 44.0281 175.4646 123 E 4.1626 8.7406 122.0903 58.4704 30.0921 176.2509 124 L 4.8053 7.3525 115.1007 52.6431 46.2754 176.1972 125 G 4.0123 9.2086 109.9139 44.8809 0.0000 171.4148 126 P 4.4467 0.0000 0.0000 63.5847 31.4030 175.8215 127 L 4.8368 8.4156 121.6564 53.9518 43.2405 176.3437 128 V 4.5112 9.4001 116.6421 59.5337 35.3830 174.8572 129 G 4.4784 8.7041 110.8207 44.9532 0.0000 172.8540 130 Q 4.7225 9.1459 121.1529 53.7180 33.4117 173.9789 131 L 4.8430 8.5377 125.3195 53.8586 43.6083 175.1856 132 V 5.0241 8.7507 125.7958 61.2181 35.5370 174.4594 133 V 5.0966 9.0957 117.5289 59.5746 35.6807 174.6041 134 A 5.2596 9.1737 124.4443 50.6145 23.0500 175.0647 135 T 5.0107 8.8859 117.9317 61.9681 71.2076 173.0745 136 N 5.2000 9.4811 124.9787 51.3770 41.4065 173.8210 137 V 4.7477 8.2932 124.4341 61.3456 33.5064 174.5305 138 F 5.3763 9.5126 126.6537 55.7073 42.4247 174.2959 139 R 5.1969 9.3451 122.1427 54.3655 32.8960 174.6327 140 R 3.1960 8.6195 128.1248 56.0250 30.4408 175.6574 141 T 4.5773 7.9244 115.0775 58.7319 71.9740 173.1159 142 P 4.2813 0.0000 0.0000 65.0820 31.3493 177.2356 143 D 4.6231 7.9883 116.5490 53.8269 41.2168 176.2534 144 G 3.7529 8.1264 107.5573 43.9396 0.0000 172.6952 145 W 4.8426 8.4283 118.5579 56.2822 29.7800 176.1153 146 K 4.9064 8.9683 122.7754 54.0907 35.5394 175.6551 147 L 3.5780 8.5892 124.2850 54.8873 41.8766 177.2295 148 W 4.7309 9.1655 134.2369 58.7348 32.7629 175.7713 149 S 5.2845 7.6313 112.7640 56.7727 65.9586 172.0733 150 H 5.2758 9.2878 125.3017 54.7894 32.7857 171.3834 151 H 5.2363 9.1998 126.3009 54.3438 32.0274 172.2821 152 A 5.4830 9.1199 127.9906 50.3362 21.9153 175.1570 153 S 4.8639 9.0321 114.7203 56.0830 66.8968 171.8066 154 P 4.8294 0.0000 0.0000 62.8031 32.2860 176.1199 155 V 4.0026 8.2900 122.9798 62.2203 31.1545 175.5006 156 L 4.3635 9.2201 126.9846 54.4007 42.9770 176.7092 157 A 4.0901 8.2587 125.4867 51.8444 18.5867 176.9399 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 5 T 8.03 4.38 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 6 P 0.00 4.12 0.00 2.23 2.09 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 7 D 8.91 4.44 0.00 2.68 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 8 T 7.69 4.12 4.42 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 1.25 0.00 0.00 9 D 8.67 4.47 0.00 2.87 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 10 V 8.21 3.40 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 0.88 0.00 0.00 0.88 0.00 0.00 11 E 7.90 3.93 0.00 2.06 1.94 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 2.24 2.22 0.00 12 Q 8.33 4.20 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 13 V 7.57 2.85 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 0.34 0.00 0.00 -0.75 0.00 0.00 14 G 7.72 3.42 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 0.00 15 L 7.54 3.98 0.00 1.82 1.68 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.68 3.94 1.18 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 0.00 0.00 0.00 0.00 0.00 17 N 7.96 4.49 0.00 2.75 2.96 0.00 0.00 7.23 7.20 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 18 T 8.06 3.95 4.49 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 1.22 0.00 0.00 19 A 8.05 4.10 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 20 F 7.74 4.09 0.00 2.79 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 21 Y 6.97 3.31 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.46 4.42 0.00 2.01 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 2.32 2.41 0.00 23 A 7.79 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 E 8.17 4.05 0.00 2.23 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 2.47 2.64 0.00 26 R 7.92 4.47 0.00 1.96 2.01 0.00 3.19 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 27 G 7.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.61 4.68 0.00 2.76 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 29 F 8.46 4.20 0.00 3.17 3.06 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 30 E 8.32 3.90 0.00 2.24 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 2.38 1.97 0.00 31 T 7.75 3.86 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 32 L 7.82 4.04 0.00 1.74 1.61 0.67 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.12 3.99 0.00 3.80 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 34 S 7.71 4.27 0.00 4.03 4.06 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 35 L 7.71 4.25 0.00 1.80 1.47 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 W 7.16 4.69 0.00 3.09 3.14 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 37 L 8.78 4.30 0.00 1.71 1.67 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.90 4.80 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 1.22 0.00 0.00 39 P 0.00 4.16 0.00 2.15 2.24 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 40 A 7.55 4.00 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 41 D 8.16 4.34 0.00 2.80 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 42 L 7.85 4.43 0.00 1.72 1.59 0.75 0.60 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 43 G 7.54 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 0.00 0.00 0.00 0.00 44 V 7.33 3.86 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 0.76 0.00 0.00 0.90 0.00 0.00 45 D 8.19 4.52 0.00 2.67 2.47 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 *51 P 0.00 4.54 0.00 2.17 1.41 0.00 3.87 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 1.93 1.97 0.00 52 A 8.59 4.69 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 53 D 8.23 4.58 0.00 2.98 2.80 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 54 A 7.20 3.95 1.19 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 0.00 0.00 55 G 8.55 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.76 3.79 2.28 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 0.86 0.00 0.00 1.09 0.00 0.00 57 V 8.37 4.89 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 1.17 0.00 0.00 0.88 0.00 0.00 58 S 9.00 5.11 0.00 3.95 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 59 C 8.95 5.22 0.00 2.79 2.55 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 60 V 8.87 4.52 1.61 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 0.81 0.00 0.00 0.74 0.00 0.00 61 H 8.21 4.71 0.00 1.49 2.53 0.00 5.70 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.49 0.00 2.15 2.13 0.00 3.75 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 2.20 0.00 63 G 9.11 4.03 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 0.00 0.00 0.00 64 W 8.41 4.65 0.00 3.28 3.22 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 65 P 0.00 4.64 0.00 2.23 2.12 0.00 3.98 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 66 V 8.14 3.97 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 0.79 0.00 0.00 0.93 0.00 0.00 67 L 9.05 4.96 0.00 1.59 1.51 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.58 5.02 0.00 3.67 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 69 G 9.35 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 70 R 8.61 3.84 0.00 1.88 1.92 0.00 3.44 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 71 G 7.96 3.58 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 0.00 0.00 0.00 72 E 8.05 4.02 0.00 2.28 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 0.00 2.42 2.37 0.00 73 V 7.65 3.37 1.66 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 -0.20 0.00 0.00 0.61 0.00 0.00 74 L 8.18 4.09 0.00 1.80 1.96 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.10 3.95 0.00 1.99 2.21 0.00 3.12 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 76 S 7.99 4.22 0.00 3.80 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 77 Y 7.73 3.91 0.00 3.31 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 0.00 78 A 8.37 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.68 4.12 0.00 1.70 1.97 0.95 1.27 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 80 I 7.85 3.79 1.81 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 1.41 0.52 0.90 0.00 0.00 *82 A 7.95 4.30 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 83 N 7.89 4.78 0.00 2.92 2.89 0.00 0.00 6.83 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 84 T 7.58 4.57 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 1.25 0.00 0.00 85 E 8.98 4.26 0.00 2.01 2.31 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 2.34 2.45 0.00 86 Y 7.96 4.79 0.00 3.07 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 87 I 7.59 4.79 1.75 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 0.75 0.59 0.89 0.00 0.00 88 Q 8.74 4.33 0.00 1.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 1.60 2.56 0.00 89 F 9.18 4.86 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.98 4.72 0.00 3.00 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 91 L 8.40 4.71 0.00 1.47 1.52 0.71 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.46 4.61 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 93 D 8.74 4.53 0.00 2.81 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 94 V 7.94 4.01 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 0.79 0.00 0.00 0.92 0.00 0.00 95 H 9.49 4.97 0.00 3.16 3.10 0.00 5.58 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 96 V 8.10 4.73 1.91 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 0.60 0.00 0.00 0.78 0.00 0.00 97 S 9.02 4.54 0.00 3.89 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 98 V 8.44 4.68 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 1.00 0.00 0.00 0.66 0.00 0.00 99 T 8.80 4.54 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 1.25 0.00 0.00 100 G 8.63 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 9.03 4.95 0.00 2.67 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 0.00 102 T 8.11 5.63 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 103 A 9.53 5.14 0.80 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 0.00 104 L 8.99 5.08 0.00 1.76 1.53 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.07 4.97 2.32 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 0.90 0.00 0.00 0.90 0.00 0.00 106 T 8.73 5.35 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 1.24 0.00 0.00 107 C 8.92 5.14 0.00 2.98 3.06 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 0.00 108 T 8.92 4.76 4.35 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 1.31 0.00 0.00 109 E 9.14 4.64 0.00 2.07 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 2.18 2.38 0.00 110 N 8.77 5.07 0.00 2.92 2.86 0.00 0.00 6.67 8.12 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 0.00 111 I 8.53 4.46 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.82 0.42 0.00 0.00 112 L 8.73 5.34 0.00 1.93 1.71 0.98 0.96 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 0.00 113 S 9.73 5.28 0.00 3.93 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 0.00 114 G 9.46 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.38 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 0.00 116 P 0.00 4.91 0.00 1.96 2.02 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 117 P 0.00 4.58 0.00 2.46 2.28 0.00 3.70 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 2.07 2.02 0.00 118 P 0.00 4.36 0.00 2.20 2.22 0.00 3.80 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 1.98 1.95 0.00 119 D 7.34 4.51 0.00 3.07 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 0.00 120 D 8.59 4.66 0.00 2.79 2.80 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 0.00 121 S 10.16 4.43 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.72 5.01 0.00 2.67 2.55 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 0.00 123 E 8.74 4.16 0.00 1.89 1.91 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 2.19 2.29 0.00 124 L 7.35 4.81 0.00 1.39 1.42 0.40 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 125 G 9.21 4.01 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 0.00 0.00 0.00 126 P 0.00 4.45 0.00 2.09 2.09 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 127 L 8.42 4.84 0.00 1.56 1.67 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 128 V 9.40 4.51 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 0.78 0.00 0.00 0.95 0.00 0.00 129 G 8.70 4.48 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 0.00 130 Q 9.15 4.72 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 131 L 8.54 4.84 0.00 1.78 1.57 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.75 5.02 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 1.21 0.00 0.00 1.01 0.00 0.00 133 V 9.10 5.10 2.12 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 0.68 0.00 0.00 1.02 0.00 0.00 134 A 9.17 5.26 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.89 5.01 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 1.20 0.00 0.00 136 N 9.48 5.20 0.00 2.68 2.29 0.00 0.00 6.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.29 4.75 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 1.01 0.00 0.00 0.80 0.00 0.00 138 F 9.51 5.38 0.00 3.08 3.21 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 0.00 139 R 9.35 5.20 0.00 1.86 1.68 0.00 3.29 0.00 0.00 2.62 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.00 140 R 8.62 3.20 0.00 0.67 1.23 0.00 3.20 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.00 141 T 7.92 4.58 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 1.17 0.00 0.00 142 P 0.00 4.28 0.00 1.99 2.09 0.00 3.54 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 143 D 7.99 4.62 0.00 2.59 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 0.00 144 G 8.13 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 0.00 145 W 8.43 4.84 0.00 3.12 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 0.00 146 K 8.97 4.91 0.00 1.60 1.78 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.47 7.81 147 L 8.59 3.58 0.00 0.27 0.13 -1.50 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 148 W 9.17 4.73 0.00 3.26 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 0.00 149 S 7.63 5.28 0.00 3.66 3.39 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 0.00 150 H 9.29 5.28 0.00 3.10 3.46 0.00 5.58 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 9.20 5.24 0.00 3.20 3.06 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 9.12 5.48 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 0.00 153 S 9.03 4.86 0.00 3.91 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 0.00 154 P 0.00 4.83 0.00 2.14 2.14 0.00 3.82 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 2.03 2.02 0.00 155 V 8.29 4.00 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 0.81 0.00 0.00 0.96 0.00 0.00 156 L 9.22 4.36 0.00 1.68 1.71 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.26 4.09 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 * Residues marked with a * may have inaccurate shift predictions.