NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.6652 0.0000 0.0000 62.8349 32.6292 175.2800 10 V 4.2286 8.3838 118.6363 58.5935 34.0042 171.4562 11 E 5.2751 8.6218 125.3111 54.2968 32.5959 174.8941 12 V 4.7709 8.9805 126.1655 60.1232 34.4806 174.6180 13 T 4.6431 8.8953 113.7739 60.5766 71.2159 171.3798 14 Y 5.0506 8.9042 121.3442 57.1124 43.1925 177.7737 15 K 3.8318 7.9923 119.5227 56.7819 31.7920 179.2867 16 N 4.4096 9.0145 123.1855 52.0595 36.7555 175.1066 *18 R 4.1300 7.4518 119.3788 56.8602 32.2257 174.6935 19 F 5.6104 9.6153 124.6595 55.6174 43.2368 174.1036 20 L 4.9902 9.0445 123.6550 53.5196 44.6273 175.4810 21 I 4.6568 8.8845 129.4307 60.7937 38.2215 175.0830 22 T 4.8735 8.4082 122.7540 60.6271 70.2143 172.7650 23 H 4.7430 8.6588 118.7318 53.8234 30.6183 174.4901 24 N 4.0626 8.4186 120.4704 52.7214 39.0683 173.4455 25 P 4.2886 0.0000 0.0000 61.6873 33.1699 174.8517 26 T 4.6400 7.4588 106.7742 59.6030 71.4379 174.5333 27 N 4.2240 8.9302 119.8523 56.4521 38.8756 176.5948 28 A 4.1194 8.0484 120.3249 54.9401 19.0110 178.6525 29 T 4.4770 7.7903 105.1851 61.8927 69.1328 176.5735 30 L 3.9300 7.5135 125.9990 58.6601 41.9586 178.7279 31 N 4.3429 8.0984 116.0026 56.4345 38.6348 177.4130 32 K 4.0043 8.0406 119.3225 59.1348 32.1371 179.0188 33 F 4.2313 8.1803 120.8749 61.5509 39.3532 177.2446 34 I 3.5528 8.1153 119.6142 64.1664 36.7728 177.9413 35 E 3.8971 8.3420 120.2037 59.3861 29.4610 178.8495 36 E 3.9190 8.2271 118.3543 59.4048 29.5848 179.0902 37 L 3.9679 7.7392 118.9872 58.0196 41.6826 179.8078 38 K 3.9553 8.1240 118.0972 59.5577 31.7509 179.5885 39 K 4.0081 7.5929 117.4078 59.1296 32.0161 178.1517 40 Y 4.4022 7.7534 114.7116 57.5504 38.3095 176.0181 41 G 3.9402 8.0176 108.7052 46.2459 0.0000 173.8455 42 V 4.7534 7.7918 112.4802 60.9771 32.2641 176.3587 43 T 4.6265 8.4526 118.7768 63.8668 71.0224 173.8831 44 T 5.1682 7.6867 117.2361 61.9683 73.6209 172.6450 45 I 5.0047 8.8705 125.4235 59.5477 41.0730 174.4550 46 V 4.4400 8.9402 127.4037 61.1758 33.8224 174.4129 47 R 4.5355 8.9775 128.0922 54.9784 31.5953 177.0620 48 V 4.4519 8.0863 116.6479 60.8997 32.6542 175.0157 49 C 5.0464 7.3221 118.5703 55.5132 43.8086 173.0897 50 E 3.8447 8.9515 121.6351 57.3956 29.7233 177.3961 51 A 4.2535 8.3861 128.7770 51.5053 18.6512 177.0072 52 T 4.4549 8.2917 112.3078 62.2298 70.2264 174.0586 53 Y 4.8856 6.8905 118.7410 54.7320 41.2231 174.2481 54 D 4.4670 8.7528 120.7666 54.6415 42.1033 176.5796 55 T 4.6433 8.3269 115.2120 61.8388 69.2810 176.4748 56 T 3.8632 7.8128 114.2657 65.3331 68.5589 176.0875 57 L 3.9779 7.9229 122.9729 57.5095 42.2457 178.9446 58 V 3.6536 7.8042 117.7324 66.2217 31.6879 177.7246 59 E 4.5475 8.6538 120.0001 58.9471 29.0350 179.5771 60 K 4.0993 8.0827 117.7772 59.1574 32.1518 178.3049 61 E 4.3914 7.6521 116.4066 56.3195 29.4125 177.3133 62 G 3.8138 7.9791 107.2655 45.4281 0.0000 173.3981 63 I 4.5322 7.5340 120.5974 59.3579 39.1602 174.4821 64 H 5.3511 8.7809 128.1605 55.3106 31.0534 173.9592 65 V 4.6945 8.8066 126.0520 61.0867 33.3903 174.5810 66 L 4.4342 8.8175 127.7995 52.9056 44.4145 175.2198 67 D 5.0160 8.6239 123.9523 52.4876 41.5539 176.3993 68 W 5.2103 8.4783 125.5372 54.3399 28.8904 173.3215 69 P 5.0464 0.0000 0.0000 61.8841 32.2325 176.8317 70 F 4.9664 7.8826 117.8383 55.0738 40.6209 173.9292 71 D 4.3580 9.1524 122.3001 54.2016 41.3188 176.6692 72 D 4.4658 8.8084 123.0981 54.7437 39.8278 178.3372 73 G 3.7976 9.0177 110.7872 46.6361 0.0000 174.2103 74 A 4.1905 8.4821 122.7402 50.9164 19.1505 175.5582 75 P 3.3092 0.0000 0.0000 60.8255 32.1247 174.9063 76 P 3.8570 0.0000 0.0000 61.9839 31.9425 177.4216 77 S 4.2271 8.2985 117.2402 58.4066 64.8362 175.1324 78 N 4.3032 8.6819 120.3206 56.7439 38.1720 177.4519 79 Q 3.8732 7.9121 120.4344 59.0430 29.2018 178.0905 80 I 3.2936 7.3968 121.0589 64.1397 37.0337 178.5198 81 V 3.7254 7.7353 119.0880 66.1503 31.3815 177.8395 82 D 4.3797 8.3400 118.7557 57.5685 40.6923 178.5114 83 D 4.3105 8.2808 119.7855 56.8556 40.5635 178.7197 84 W 4.7668 8.5884 129.2812 60.8734 30.8082 178.1406 85 L 3.8796 8.4422 119.1724 57.7589 40.9768 179.5567 86 S 4.0772 8.2977 113.3165 61.1166 62.3145 175.9740 87 L 3.9501 8.0170 123.2178 58.0232 41.4045 179.1115 88 V 3.3300 7.7363 118.4681 65.6772 31.1975 177.6645 89 K 3.8571 8.1152 119.4599 59.7158 32.0546 178.5746 90 I 3.6775 7.6822 118.5915 63.8740 37.8775 177.9442 91 K 3.7643 7.8868 119.2952 59.5550 31.7284 179.2015 92 F 4.4590 7.1930 114.6015 59.1045 38.8449 177.0733 93 R 4.2720 7.0758 118.1041 58.8749 30.5403 177.8295 94 E 4.2670 8.5789 116.7626 57.6200 31.0035 177.0846 95 E 4.6233 8.2284 118.6198 52.7185 29.8669 172.0529 96 P 4.3658 0.0000 0.0000 64.2807 32.1137 177.0516 97 G 3.9080 9.0818 110.5754 45.7161 0.0000 172.9716 98 C 4.5658 7.7775 114.9651 57.3781 31.3180 172.0027 99 C 5.2501 8.5037 117.9501 57.9043 35.1360 172.5318 100 I 4.9151 8.6417 125.1989 59.6329 39.3261 174.6033 101 A 5.3058 9.0894 129.2604 50.7873 21.5471 175.9362 102 V 5.1117 8.8116 119.5381 61.7635 35.6702 173.8425 103 H 5.1710 8.8561 120.7232 53.8261 32.4051 174.7127 104 C 4.8590 8.8168 117.6744 56.7107 42.9374 175.5393 105 V 4.1488 8.6382 112.6797 62.0020 32.7318 175.2930 106 A 4.3530 7.6810 122.1347 50.1200 19.2216 175.6328 107 G 3.9695 8.6091 107.1423 44.4587 0.0000 171.2789 108 L 3.9226 8.5548 117.8374 57.6979 42.5228 178.9997 109 G 3.6588 7.4339 105.2241 47.1198 0.0000 174.2436 110 R 4.4337 8.3797 121.3553 55.6695 28.5125 177.6819 111 A 3.9260 7.8707 123.0582 55.2183 18.1755 178.5189 112 P 4.2611 0.0000 0.0000 64.9596 31.2456 178.8528 113 V 3.8309 7.6052 117.2627 66.2948 31.4851 178.0470 114 L 3.5769 7.2188 118.3139 57.4042 41.1860 179.7320 115 V 3.2693 7.4856 117.5391 65.8097 31.5220 177.6351 116 A 4.0734 8.3040 120.6818 55.3572 18.2002 179.5462 117 L 3.7764 7.9253 117.1161 57.8780 41.7149 179.6841 118 A 4.3079 8.3874 120.7698 55.2589 18.1432 179.7336 119 L 4.0781 7.9413 116.7080 58.0040 41.9698 179.4565 120 I 3.9174 8.0723 119.9289 64.3683 36.8254 178.1233 121 E 4.2854 8.3699 119.5230 58.9097 29.5932 178.2692 122 G 3.7826 7.8621 103.3591 44.2379 0.0000 173.2777 123 G 4.1622 7.7150 110.9226 46.2788 0.0000 174.0201 *125 K 4.1780 7.6617 119.0999 56.0270 35.1607 176.2367 126 Y 4.1590 8.5375 119.3041 60.5622 37.6827 178.5903 127 E 3.3054 7.0146 119.6177 58.9503 29.4764 178.8983 128 D 4.2367 7.7795 118.1518 57.2625 41.0327 178.4356 129 A 3.9563 7.8318 121.2854 55.1177 18.2607 179.8741 130 V 3.3832 7.8493 116.8522 66.2089 31.5547 178.3588 131 Q 3.9850 8.1649 117.8382 58.9294 28.3329 178.3932 132 F 4.0678 8.4841 121.1177 61.3297 39.5537 176.9363 133 I 4.0204 8.0021 119.3211 64.3208 36.8528 178.5604 134 R 4.2020 8.4699 119.1778 59.1813 29.6135 178.8197 135 Q 3.9572 8.1164 118.7046 58.4200 28.9817 177.6259 136 K 4.5200 7.1623 118.3605 56.5386 33.4207 176.2928 137 R 4.3932 8.1323 119.7323 53.8441 31.2061 175.0851 138 R 3.9447 8.8650 122.1852 59.2004 29.1111 178.0382 139 G 3.9130 8.1804 104.3802 45.4401 0.0000 175.0478 140 A 3.0274 6.8334 117.8209 53.1930 19.3291 178.2885 141 F 4.9497 8.0522 115.4782 55.2327 42.0401 175.8322 142 N 4.9382 8.8578 121.4344 50.9754 40.6592 176.1731 143 S 4.0987 8.4916 115.0846 61.9328 62.7223 176.5405 144 K 3.9016 8.1726 122.1066 59.1607 31.8093 179.1544 145 Q 2.8806 8.6682 118.3470 58.5072 28.6506 178.7014 146 L 3.8197 7.8335 120.0221 57.6245 41.3928 179.5474 147 L 3.9155 7.6866 118.3156 57.7981 41.7812 178.7245 148 Y 4.3638 7.5608 116.3200 59.0947 38.1434 177.6493 149 L 3.9945 7.4855 121.4180 57.4264 41.4204 178.7195 150 E 2.6320 7.3224 118.4927 57.8683 29.5572 177.9522 151 K 4.3444 7.1750 116.0317 55.2193 32.9802 176.1235 152 Y 4.0233 7.1740 121.7119 57.6346 39.0678 175.4797 153 R 4.1927 7.6040 126.6526 53.3454 30.4658 174.1595 154 P 4.2803 0.0000 0.0000 62.1812 33.7078 175.9329 155 K 3.8341 8.6962 122.9820 58.3040 29.9904 178.8037 *157 R 4.3204 9.0796 128.2341 56.2128 32.6111 175.7589 158 L 4.0506 7.9113 118.3696 54.4901 42.2593 176.3922 159 R 4.6277 7.9134 121.5121 54.5356 32.3605 176.3280 160 F 4.3727 8.4146 118.2691 57.8443 39.9641 174.8347 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 9 P 0.00 4.67 0.00 1.99 2.17 0.00 3.75 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 1.94 2.09 0.00 10 V 8.38 4.23 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 0.63 0.00 0.00 0.92 0.00 0.00 11 E 8.62 5.28 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 12 V 8.98 4.77 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 1.07 0.00 0.00 1.37 0.00 0.00 13 T 8.90 4.64 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 1.26 0.00 0.00 14 Y 8.90 5.05 0.00 2.74 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 15 K 7.99 3.83 0.00 1.59 1.02 0.00 1.16 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 16 N 9.01 4.41 0.00 2.83 2.88 0.00 0.00 5.82 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 *18 R 7.45 4.13 0.00 1.83 2.03 0.00 3.40 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 19 F 9.62 5.61 0.00 3.19 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 9.04 4.99 0.00 1.61 1.48 0.21 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.88 4.66 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.85 0.00 0.00 22 T 8.41 4.87 4.32 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 1.46 0.00 0.00 23 H 8.66 4.74 0.00 3.11 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.42 4.06 0.00 2.85 2.80 0.00 0.00 7.03 7.69 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 25 P 0.00 4.29 0.00 1.34 0.49 0.00 3.10 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 26 T 7.46 4.64 4.19 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 1.13 0.00 0.00 27 N 8.93 4.22 0.00 2.74 2.97 0.00 0.00 6.94 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 28 A 8.05 4.12 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 29 T 7.79 4.48 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 1.17 0.00 0.00 30 L 7.51 3.93 0.00 2.00 1.71 0.60 0.71 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 31 N 8.10 4.34 0.00 2.78 2.86 0.00 0.00 7.16 7.85 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 32 K 8.04 4.00 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.51 7.81 33 F 8.18 4.23 0.00 3.13 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 34 I 8.12 3.55 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.91 0.00 0.00 35 E 8.34 3.90 0.00 2.09 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 0.00 2.29 2.34 0.00 36 E 8.23 3.92 0.00 2.17 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 0.00 2.50 2.57 0.00 37 L 7.74 3.97 0.00 1.64 1.60 0.32 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.12 3.96 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.63 7.81 39 K 7.59 4.01 0.00 1.67 1.65 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.59 7.81 40 Y 7.75 4.40 0.00 3.13 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 41 G 8.02 3.94 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 0.00 0.00 0.00 42 V 7.79 4.75 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 0.88 0.00 0.00 0.90 0.00 0.00 43 T 8.45 4.63 4.19 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 1.23 0.00 0.00 44 T 7.69 5.17 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 1.16 0.00 0.00 45 I 8.87 5.00 1.95 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 1.12 0.00 0.00 46 V 8.94 4.44 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 0.87 0.00 0.00 0.93 0.00 0.00 47 R 8.98 4.54 0.00 1.74 1.66 0.00 3.00 0.00 0.00 3.03 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 48 V 8.09 4.45 1.17 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 1.26 0.00 0.00 0.69 0.00 0.00 49 C 7.32 5.05 0.00 2.58 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 50 E 8.95 3.84 0.00 1.88 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 2.26 2.29 0.00 51 A 8.39 4.25 1.12 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 0.00 0.00 52 T 8.29 4.45 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 1.21 0.00 0.00 53 Y 6.89 4.89 0.00 2.99 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 54 D 8.75 4.47 0.00 2.67 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 55 T 8.33 4.64 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 1.07 0.00 0.00 56 T 7.81 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 1.37 0.00 0.00 57 L 7.92 3.98 0.00 1.83 1.76 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.80 3.65 2.36 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 1.17 0.00 0.00 1.15 0.00 0.00 59 E 8.65 4.55 0.00 2.14 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 0.00 2.51 2.39 0.00 60 K 8.08 4.10 0.00 1.95 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.65 7.81 61 E 7.65 4.39 0.00 2.05 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 2.59 2.48 0.00 62 G 7.98 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 63 I 7.53 4.53 2.02 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 1.12 1.38 0.93 0.00 0.00 64 H 8.78 5.35 0.00 3.28 3.16 0.00 5.79 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 65 V 8.81 4.69 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 0.75 0.00 0.00 1.01 0.00 0.00 66 L 8.82 4.43 0.00 0.75 0.36 0.50 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.62 5.02 0.00 2.55 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 68 W 8.48 5.21 0.00 3.37 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 69 P 0.00 5.05 0.00 1.94 1.93 0.00 3.77 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 70 F 7.88 4.97 0.00 2.80 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 71 D 9.15 4.36 0.00 2.73 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 72 D 8.81 4.47 0.00 2.94 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 73 G 9.02 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 74 A 8.48 4.19 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 75 P 0.00 3.31 0.00 1.66 1.14 0.00 3.45 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.27 0.00 76 P 0.00 3.86 0.00 1.61 1.22 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 77 S 8.30 4.23 0.00 3.98 3.94 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 78 N 8.68 4.30 0.00 2.72 2.90 0.00 0.00 6.52 8.10 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 79 Q 7.91 3.87 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 80 I 7.40 3.29 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.29 0.92 0.00 0.00 81 V 7.74 3.73 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 1.35 0.00 0.00 1.02 0.00 0.00 82 D 8.34 4.38 0.00 2.82 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 83 D 8.28 4.31 0.00 1.93 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 0.00 0.00 0.00 84 W 8.59 4.77 0.00 3.60 3.43 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 85 L 8.44 3.88 0.00 1.98 1.76 1.17 1.27 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 86 S 8.30 4.08 0.00 3.99 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 87 L 8.02 3.95 0.00 2.19 1.94 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.74 3.33 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 1.27 0.00 0.00 0.31 0.00 0.00 89 K 8.12 3.86 0.00 1.90 1.94 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 90 I 7.68 3.68 1.85 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 1.48 1.15 1.00 0.00 0.00 91 K 7.89 3.76 0.00 1.18 1.41 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.39 7.81 92 F 7.19 4.46 0.00 3.14 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 93 R 7.08 4.27 0.00 1.92 2.05 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 94 E 8.58 4.27 0.00 1.97 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 2.33 2.45 0.00 95 E 8.23 4.62 0.00 2.07 1.81 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 2.19 2.21 0.00 96 P 0.00 4.37 0.00 2.05 2.04 0.00 3.74 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 2.05 2.27 0.00 97 G 9.08 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 98 C 7.78 4.57 0.00 3.13 3.08 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 0.00 0.00 0.00 0.00 99 C 8.50 5.25 0.00 3.12 2.87 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 0.00 100 I 8.64 4.92 2.22 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.06 1.27 0.00 0.00 101 A 9.09 5.31 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 0.00 102 V 8.81 5.11 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 0.91 0.00 0.00 1.09 0.00 0.00 103 H 8.86 5.17 0.00 3.43 3.42 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.82 4.86 0.00 2.82 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 0.00 0.00 0.00 0.00 105 V 8.64 4.15 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 0.77 0.00 0.00 0.92 0.00 0.00 106 A 7.68 4.35 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 0.00 107 G 8.61 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 0.00 108 L 8.55 3.92 0.00 1.56 1.61 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.43 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.38 4.43 0.00 2.27 2.25 0.00 2.47 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 0.00 111 A 7.87 3.93 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 0.00 112 P 0.00 4.26 0.00 1.21 1.58 0.00 3.48 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 113 V 7.61 3.83 2.40 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 1.10 0.00 0.00 1.21 0.00 0.00 114 L 7.22 3.58 0.00 0.98 0.13 0.53 0.39 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 0.00 115 V 7.49 3.27 2.21 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 0.96 0.00 0.00 0.80 0.00 0.00 116 A 8.30 4.07 1.46 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 0.00 117 L 7.93 3.78 0.00 1.88 1.83 0.40 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.39 4.31 1.69 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 0.00 0.00 119 L 7.94 4.08 0.00 1.80 1.55 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.07 3.92 2.19 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 1.16 0.00 0.00 121 E 8.37 4.29 0.00 2.46 2.25 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 2.51 2.54 0.00 122 G 7.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.72 4.16 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 0.00 0.00 0.00 *125 K 7.66 4.18 0.00 1.77 1.92 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.51 7.81 126 Y 8.54 4.16 0.00 3.09 3.23 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 0.00 127 E 7.01 3.31 0.00 1.72 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.47 0.00 128 D 7.78 4.24 0.00 2.66 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 0.00 129 A 7.83 3.96 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 0.00 130 V 7.85 3.38 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 1.04 0.00 0.00 0.48 0.00 0.00 131 Q 8.16 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 132 F 8.48 4.07 0.00 3.01 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 0.00 133 I 8.00 4.02 2.36 0.00 0.00 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 2.10 1.17 0.93 0.00 0.00 134 R 8.47 4.20 0.00 2.07 2.01 0.00 3.19 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 135 Q 8.12 3.96 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 136 K 7.16 4.52 0.00 1.78 1.80 0.00 1.43 0.00 0.00 1.35 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.41 7.81 137 R 8.13 4.39 0.00 1.76 1.70 0.00 3.14 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 138 R 8.86 3.94 0.00 1.95 2.09 0.00 3.07 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 139 G 8.18 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 0.00 140 A 6.83 3.03 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 0.00 141 F 8.05 4.95 0.00 2.94 2.93 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 0.00 142 N 8.86 4.94 0.00 3.00 2.97 0.00 0.00 6.97 7.15 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 0.00 143 S 8.49 4.10 0.00 4.07 4.19 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 0.00 144 K 8.17 3.90 0.00 2.02 2.02 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.58 7.81 145 Q 8.67 2.88 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 146 L 7.83 3.82 0.00 1.81 1.72 0.94 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.69 3.92 0.00 1.79 1.73 0.91 0.81 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 0.00 148 Y 7.56 4.36 0.00 3.03 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 0.00 149 L 7.49 3.99 0.00 1.51 1.52 0.44 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.32 2.63 0.00 1.60 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 2.19 2.27 0.00 151 K 7.18 4.34 0.00 1.71 1.82 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.44 7.81 152 Y 7.17 4.02 0.00 2.99 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 0.00 153 R 7.60 4.19 0.00 1.58 1.69 0.00 3.20 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 154 P 0.00 4.28 0.00 2.27 2.27 0.00 3.63 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 1.97 2.04 0.00 155 K 8.70 3.83 0.00 1.77 1.52 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.39 7.81 *157 R 9.08 4.32 0.00 1.84 2.03 0.00 3.38 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 158 L 7.91 4.05 0.00 1.74 1.19 1.07 0.87 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 0.00 159 R 7.91 4.63 0.00 1.63 1.75 0.00 3.10 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 160 F 8.41 4.37 0.00 2.90 2.81 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 * Residues marked with a * may have inaccurate shift predictions.