NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3302 8.4444 116.7259 56.4114 32.2510 178.2693 6 T 4.0305 7.3103 114.2631 59.7224 67.0156 172.9907 7 Y 4.5916 8.6513 119.6958 57.1521 39.5145 174.5669 8 D 4.6944 9.4167 123.0531 54.5042 42.9773 176.5147 9 F 4.8491 8.1410 115.7957 55.4039 43.8191 173.3191 10 L 4.9978 8.6725 122.9967 53.4109 44.3935 175.3197 11 F 5.4344 8.8785 125.3299 55.5985 42.2310 174.5561 12 K 4.9039 8.9525 124.9208 56.1825 33.4518 175.3202 13 F 5.5988 9.7117 126.3275 55.8812 42.3497 174.4243 14 L 5.2695 8.5815 121.3928 53.1048 44.9574 175.7487 15 V 4.7366 8.7173 122.1662 61.2660 33.7424 174.4345 16 I 4.7649 8.7128 120.9206 57.6340 41.4610 174.1216 17 G 3.6247 6.7441 107.0116 42.9386 0.0000 173.1015 18 N 4.6401 8.5084 117.2945 52.9568 39.1002 174.8832 19 A 4.3692 7.9481 122.8637 53.4098 18.7496 178.3851 20 G 3.9861 8.9099 108.8526 45.8404 0.0000 174.3007 21 T 4.1691 7.1712 108.7606 61.6328 69.5873 175.6585 22 G 4.2549 8.2763 111.9921 45.7971 0.0000 175.8886 23 K 3.9442 8.3565 121.7232 59.1073 32.0194 179.0191 24 S 4.1129 7.9527 112.8969 61.7383 62.3872 175.9066 25 C 4.0838 7.9754 118.8723 62.5346 27.7597 175.8958 26 L 4.1041 8.3139 121.1333 57.7445 41.1572 179.3327 27 L 4.1001 7.8645 120.4150 58.4161 42.0293 178.3839 28 H 4.0190 8.3372 118.2535 59.3172 29.8196 176.9836 29 Q 4.2481 8.4688 122.9316 58.6079 28.6917 178.0127 30 F 4.3403 8.3425 120.7876 61.4608 39.5103 176.8521 31 I 3.4954 7.6885 118.1054 63.2608 37.1712 177.2382 32 E 4.4090 8.3965 117.0152 54.6418 30.1972 176.4109 33 K 4.3505 7.9878 117.4024 56.7635 30.2306 174.9083 34 K 4.7795 7.4059 115.0982 55.0658 35.8692 176.9231 35 F 4.2090 9.0232 124.4491 61.8211 39.7091 175.9734 *36 K 4.0491 7.7253 122.2338 53.9830 33.3762 177.5978 *46 E 4.2462 8.1600 120.3129 56.1907 30.7260 174.1092 47 F 5.2707 8.7633 128.3015 56.6823 43.0796 173.7004 48 G 4.1729 7.4339 109.8229 44.9023 0.0000 171.7508 49 S 5.4278 8.0236 114.4080 55.4861 66.4093 173.1231 50 K 4.4190 8.1742 121.4637 55.1956 35.7676 174.1719 51 I 4.9205 8.1768 127.1683 59.8004 38.5447 175.0093 52 I 4.6522 8.5997 120.2641 59.0684 41.0378 173.8029 53 N 4.8527 8.6762 122.0968 52.1529 40.2436 174.4253 54 V 4.1045 8.8468 126.6548 61.5632 32.5350 174.8867 55 G 3.9078 9.9227 115.3522 46.4818 0.0000 173.0524 56 G 3.8758 8.5249 106.5972 44.2793 0.0000 174.0170 57 K 4.6526 7.8520 119.7523 54.7964 34.7423 174.9460 58 Y 4.9528 8.8014 122.2417 57.0506 39.8798 174.6526 59 V 4.7049 8.9206 124.2377 60.8653 34.6024 174.0780 60 K 4.4323 8.8010 130.4544 55.7016 33.4731 175.1400 61 L 4.7613 8.8037 128.0712 53.2617 44.0065 175.4307 62 Q 4.5083 9.1960 123.3929 54.3995 31.2955 174.6892 63 I 5.0600 8.3782 126.6067 59.4376 39.8167 175.2629 64 W 4.9684 9.8591 129.2316 55.5813 30.1741 174.9027 65 D 5.2778 9.0596 126.4657 52.6225 41.4860 176.1113 66 T 4.3346 8.6655 115.4643 61.4528 69.0513 174.1740 67 A 4.1052 7.7111 125.1463 54.4711 18.4787 179.0236 68 G 4.0110 8.6473 110.2701 45.9943 0.0000 173.9607 69 Q 4.6730 8.2600 118.7351 55.6704 29.6425 177.4718 70 E 4.1747 8.2521 120.5995 58.3699 30.2976 177.4735 71 R 3.4750 8.0283 119.1794 54.8484 29.8739 174.7315 72 F 4.5048 7.6420 118.9325 58.0955 38.5264 177.0774 73 R 3.9513 8.3227 121.2336 59.3740 29.6903 177.2997 74 S 4.0637 8.0779 109.4358 59.1520 63.8454 175.0066 75 V 4.0435 7.6092 124.1177 61.6285 29.7931 174.8789 76 T 4.7190 7.1300 112.9780 58.5992 73.7928 174.7073 77 R 3.9342 8.5506 121.6828 59.8190 29.8924 178.8661 78 S 4.2427 8.0979 112.3065 61.6205 63.0992 175.3745 79 Y 4.3776 8.0803 122.1408 60.6964 39.1291 176.7272 80 Y 4.2733 8.6161 117.2690 58.9553 38.2301 175.8945 81 R 4.0610 7.4071 120.5026 57.8245 30.4675 176.7687 82 G 3.8632 8.9216 112.7855 45.0843 0.0000 173.2029 83 A 4.1235 7.4234 122.9491 52.0749 18.9343 177.4865 84 A 4.2380 9.0040 125.4526 53.6413 20.1903 177.3056 85 G 3.9424 7.6949 100.5868 44.5722 0.0000 171.6621 86 A 4.9625 8.5314 122.0540 50.0307 23.2334 175.2739 87 L 4.5176 8.6575 122.5246 53.5401 43.3937 175.5730 88 L 4.7249 8.8309 127.7853 53.6233 43.2516 175.0301 89 V 4.8515 8.6318 127.8750 61.4223 33.7809 174.1831 90 Y 4.9404 8.6447 124.8666 55.2662 42.3478 173.2261 91 D 5.3543 9.0230 119.0074 52.1843 43.0051 177.0268 92 I 3.9294 8.7538 120.5993 63.4776 37.6594 177.2866 93 T 4.5689 8.3453 109.4793 60.7689 69.4010 174.5617 94 S 4.6124 8.2020 117.5433 55.8310 63.8084 173.9230 95 R 3.9842 9.3822 129.7833 59.6130 29.8936 177.9993 96 E 4.0008 8.3036 118.1165 59.6503 29.2319 179.2684 97 T 4.1244 7.8385 108.9019 64.6928 68.6979 175.9214 98 Y 3.8773 7.9244 122.1809 60.4901 38.7158 177.0907 99 N 4.0989 8.3412 116.3654 55.7962 38.9893 176.5848 100 A 4.1515 7.9122 120.7632 53.3571 18.6467 179.1087 101 L 4.1434 7.5024 118.5938 58.2262 41.7130 179.5335 102 T 4.0166 7.8345 108.9216 64.9629 68.4761 175.9305 103 N 4.1975 7.9958 118.6727 55.9280 38.5495 177.2893 104 W 4.3774 7.9547 120.0173 59.6258 29.0593 178.6098 105 L 4.0936 8.6894 119.4293 58.1941 41.0523 179.6617 106 T 3.8636 8.0504 115.5234 66.6818 68.3346 176.1671 107 D 4.3214 8.3510 120.6498 57.5158 40.9602 178.9154 108 A 4.4694 8.4887 121.0714 55.6102 18.2341 179.9925 109 R 4.2245 8.1121 115.3584 59.4813 30.1574 178.8421 110 M 4.2265 8.2413 118.1572 57.5206 32.1310 177.7868 111 L 4.4553 8.1361 117.1985 55.5641 42.8970 176.5149 112 A 4.3196 8.3282 121.4066 51.9011 19.7264 177.2172 113 S 4.6197 7.5297 105.9508 56.4221 66.0640 177.0027 114 Q 4.0162 8.7287 119.9941 58.6907 28.5196 177.2981 115 N 4.7557 7.3937 113.3677 52.7555 38.6696 174.7444 116 I 3.6471 7.3082 119.3211 61.5601 38.7480 175.5159 117 V 3.9118 8.4281 129.4275 62.3663 32.3618 174.5555 118 I 4.8824 8.2672 128.2707 59.3668 40.4808 174.1124 119 I 4.6947 8.2879 126.5707 58.9226 40.7240 173.9974 120 L 4.7836 9.1657 132.6968 55.0928 43.5703 175.0322 121 C 5.1448 9.7325 124.6192 58.0316 31.0013 173.7029 122 G 3.2640 8.8813 113.4278 44.8400 0.0000 172.1994 123 N 5.1735 8.6078 126.4964 51.5232 41.4879 174.4533 124 K 4.2393 8.5597 117.5475 57.3442 28.8982 178.6330 125 K 4.0553 8.0264 119.8083 59.2131 32.7041 177.8604 126 D 4.4066 7.9776 118.6287 55.9071 40.0757 176.4819 127 L 4.4004 7.8758 122.4377 53.6794 41.3414 177.8866 128 D 4.3257 8.2009 120.9535 56.6038 39.5662 179.1058 129 A 4.0433 8.0277 120.7420 53.9943 18.5793 177.4256 130 D 4.8557 8.0534 114.7119 53.7632 41.4565 175.9906 131 R 4.1627 7.6585 121.1339 56.6564 30.2921 176.0830 132 E 4.5754 9.2821 123.6607 55.8643 31.4537 176.1121 133 V 4.3914 7.7718 117.6895 59.2811 34.0585 175.6361 134 T 4.2978 8.4881 117.5349 61.1087 71.0366 175.2989 135 F 4.4831 8.7395 125.4410 61.1444 39.4932 177.5466 136 L 4.0304 8.0872 118.3646 57.5801 41.1878 179.0754 137 E 3.9207 8.2025 117.5468 59.4436 29.4166 179.1776 138 A 3.9793 7.5158 122.8422 54.0395 18.3398 179.5324 139 S 3.5720 7.7290 112.0352 61.2592 62.3706 176.4197 140 R 3.8261 7.8994 121.4544 59.2301 29.8320 178.1166 141 F 4.1907 8.2323 120.2627 61.2985 39.3208 176.8615 142 A 3.7926 8.1770 120.5452 55.4018 17.9732 179.6366 143 Q 3.9030 7.7292 115.1202 59.1702 28.8010 178.7154 144 E 4.0888 7.8363 118.7746 58.1896 29.4601 177.9578 145 N 4.6161 7.2595 114.6768 51.8490 40.1641 174.6220 146 E 3.7480 8.1670 116.6282 57.9312 26.9937 174.5903 147 L 4.8540 7.7692 116.3056 52.9386 45.2668 178.3786 148 M 4.4572 8.2943 121.2686 55.7345 33.5373 175.1770 149 F 5.6171 8.3817 121.7189 57.3758 42.7266 173.3284 150 L 4.3638 8.5827 124.5812 53.0491 46.0879 175.0150 151 E 4.8826 8.3530 121.3382 55.6525 31.5081 175.2857 152 T 4.7684 8.8121 112.8273 59.9880 73.3123 172.7623 153 S 4.7375 8.8024 115.6179 56.4605 64.5796 174.5512 154 A 4.1201 8.9177 131.2421 55.0915 18.6139 178.5692 155 L 3.4351 8.0179 117.2541 58.2123 42.1633 178.1043 156 T 4.0696 7.8267 106.5372 62.1541 69.5138 175.8241 157 G 3.9726 8.4934 111.4854 44.7708 0.0000 172.9516 158 E 4.0019 7.9909 121.6450 57.7780 29.9887 176.7346 159 N 4.1716 9.0540 121.0228 54.2648 36.4398 176.2623 160 V 3.6027 7.8651 119.1926 66.1211 31.6224 177.5854 161 E 4.2166 8.3383 118.5656 59.4820 29.5535 178.0625 162 E 3.9285 8.3610 118.5151 59.2702 29.6759 178.3614 163 A 3.8722 8.1241 120.6690 55.3573 18.3469 179.7251 164 F 4.0786 7.7279 115.4721 60.5552 38.8483 178.2154 165 V 3.7047 8.1511 118.0324 66.2296 31.3567 178.1370 166 Q 4.0589 8.6598 118.2167 58.8991 28.5102 178.3185 167 C 3.9648 8.0141 119.0239 62.5134 31.6625 175.4722 168 A 4.3746 8.5574 122.5277 55.3232 17.8961 179.5906 169 R 3.8617 8.5614 117.6391 59.4267 30.0982 178.6811 170 K 3.8875 8.2432 119.5304 59.4448 32.0918 178.7080 171 I 3.4988 7.6966 120.0549 64.4726 36.9686 178.3743 172 L 3.8680 7.9779 119.5871 57.7866 41.3675 179.3745 173 N 4.3236 8.3240 116.6743 56.3609 38.4879 177.6689 174 K 4.1366 8.2606 121.3755 58.5672 32.0562 179.6234 175 I 3.9673 7.9333 122.0271 63.8646 36.8293 177.9491 176 E 3.9959 8.1158 119.1990 59.1634 29.5929 178.3609 177 S 4.4208 8.3661 112.6327 58.5453 63.1051 175.4684 178 G 3.9430 7.7019 110.5314 46.4135 0.0000 174.5940 179 E 4.1842 8.1394 121.0730 57.3945 29.8598 177.1097 180 L 4.6801 7.6954 118.0151 52.6355 44.6415 174.5811 181 D 4.8453 8.4496 122.4485 52.1330 41.8463 175.1739 182 P 4.5990 0.0000 0.0000 64.5945 31.8273 176.6614 183 E 4.3905 7.9173 117.1136 56.6423 30.1621 176.0331 184 R 4.2824 7.4257 118.7827 54.9774 31.4167 174.9357 185 M 3.8340 8.3573 117.1710 58.8622 32.2606 176.4474 186 G 3.4120 8.1250 110.9900 45.0897 0.0000 172.7323 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 E 8.44 4.33 0.00 2.01 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 2.13 1.88 0.00 6 T 7.31 4.03 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 1.31 0.00 0.00 7 Y 8.65 4.59 0.00 3.23 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 8 D 9.42 4.69 0.00 2.51 2.35 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 9 F 8.14 4.85 0.00 2.44 2.26 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 10 L 8.67 5.00 0.00 1.74 1.65 0.86 0.79 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 11 F 8.88 5.43 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.95 4.90 0.00 1.89 1.84 0.00 1.04 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.04 7.81 13 F 9.71 5.60 0.00 3.02 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 14 L 8.58 5.27 0.00 1.39 1.39 0.20 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.72 4.74 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 0.97 0.00 0.00 1.08 0.00 0.00 16 I 8.71 4.76 1.45 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.62 0.74 0.00 0.00 17 G 6.74 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.51 4.64 0.00 2.94 2.89 0.00 0.00 6.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.95 4.37 1.27 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 0.00 0.00 20 G 8.91 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 0.00 0.00 0.00 21 T 7.17 4.17 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 1.32 0.00 0.00 22 G 8.28 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 0.00 0.00 0.00 0.00 23 K 8.36 3.94 0.00 1.79 2.01 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 24 S 7.95 4.11 0.00 3.88 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 25 C 7.98 4.08 0.00 3.02 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 26 L 8.31 4.10 0.00 1.97 1.87 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.86 4.10 0.00 2.01 1.87 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.34 4.02 0.00 3.35 3.36 0.00 5.64 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 29 Q 8.47 4.25 0.00 2.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 30 F 8.34 4.34 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.69 3.50 1.69 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.70 0.00 0.00 32 E 8.40 4.41 0.00 1.89 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 2.09 2.12 0.00 33 K 7.99 4.35 0.00 1.89 1.88 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.30 7.81 34 K 7.41 4.78 0.00 1.89 1.89 0.00 1.35 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.52 7.81 35 F 9.02 4.21 0.00 2.90 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 *36 K 7.73 4.05 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *46 E 8.16 4.25 0.00 2.22 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 2.27 1.89 0.00 47 F 8.76 5.27 0.00 2.81 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 48 G 7.43 4.17 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 0.00 0.00 0.00 49 S 8.02 5.43 0.00 3.84 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 50 K 8.17 4.42 0.00 1.32 1.31 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.10 1.13 7.81 51 I 8.18 4.92 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 1.07 0.00 0.00 52 I 8.60 4.65 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.26 1.10 0.00 0.00 53 N 8.68 4.85 0.00 2.58 2.69 0.00 0.00 6.72 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 54 V 8.85 4.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 55 G 9.92 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 56 G 8.52 3.88 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 0.00 0.00 0.00 57 K 7.85 4.65 0.00 1.92 1.95 0.00 1.68 0.00 0.00 2.05 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.49 7.81 58 Y 8.80 4.95 0.00 3.07 2.96 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 59 V 8.92 4.70 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 0.52 0.00 0.00 0.89 0.00 0.00 60 K 8.80 4.43 0.00 0.79 0.94 0.00 1.06 0.00 0.00 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7.83 4.02 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 1.33 0.00 0.00 103 N 8.00 4.20 0.00 2.53 2.55 0.00 0.00 7.15 7.68 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 0.00 104 W 7.95 4.38 0.00 3.64 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 0.00 0.00 0.00 105 L 8.69 4.09 0.00 1.89 1.76 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.05 3.86 4.38 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 1.18 0.00 0.00 107 D 8.35 4.32 0.00 3.15 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.49 4.47 1.52 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 0.00 109 R 8.11 4.22 0.00 1.81 2.15 0.00 3.17 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 110 M 8.24 4.23 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 111 L 8.14 4.46 0.00 1.50 1.57 0.38 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.33 4.32 1.42 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 0.00 113 S 7.53 4.62 0.00 3.96 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 0.00 114 Q 8.73 4.02 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.35 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 115 N 7.39 4.76 0.00 2.53 2.78 0.00 0.00 6.93 7.33 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 0.00 116 I 7.31 3.65 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.66 0.91 0.00 0.00 117 V 8.43 3.91 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 0.82 0.00 0.00 0.80 0.00 0.00 118 I 8.27 4.88 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 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8.74 4.48 0.00 3.39 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 0.00 136 L 8.09 4.03 0.00 1.80 1.75 1.01 1.08 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 0.00 137 E 8.20 3.92 0.00 2.15 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 0.00 2.35 1.95 0.00 138 A 7.52 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.73 3.57 0.00 3.31 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.90 3.83 0.00 1.91 2.05 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 141 F 8.23 4.19 0.00 3.12 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 0.00 142 A 8.18 3.79 1.36 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 0.00 0.00 143 Q 7.73 3.90 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 144 E 7.84 4.09 0.00 1.91 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 2.28 2.35 0.00 145 N 7.26 4.62 0.00 2.04 2.47 0.00 0.00 7.09 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 0.00 146 E 8.17 3.75 0.00 2.01 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 2.15 2.24 0.00 147 L 7.77 4.85 0.00 1.53 1.53 0.88 0.69 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 0.00 148 M 8.29 4.46 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 149 F 8.38 5.62 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.58 4.36 0.00 1.42 1.30 0.86 0.57 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 0.00 151 E 8.35 4.88 0.00 1.92 1.84 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 2.50 2.40 0.00 152 T 8.81 4.77 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 1.17 0.00 0.00 153 S 8.80 4.74 0.00 3.85 3.69 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 0.00 154 A 8.92 4.12 1.52 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 0.00 155 L 8.02 3.44 0.00 1.01 1.47 0.02 0.70 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 0.00 156 T 7.83 4.07 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 1.14 0.00 0.00 157 G 8.49 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 0.00 158 E 7.99 4.00 0.00 2.02 1.84 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 2.28 2.28 0.00 159 N 9.05 4.17 0.00 3.05 2.84 0.00 0.00 6.78 7.68 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 0.00 160 V 7.87 3.60 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 1.27 0.00 0.00 1.09 0.00 0.00 161 E 8.34 4.22 0.00 2.33 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 0.00 2.51 2.65 0.00 162 E 8.36 3.93 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 163 A 8.12 3.87 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 0.00 164 F 7.73 4.08 0.00 2.62 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 0.00 165 V 8.15 3.70 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 1.13 0.00 0.00 1.09 0.00 0.00 166 Q 8.66 4.06 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 167 C 8.01 3.96 0.00 2.94 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 0.00 168 A 8.56 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 169 R 8.56 3.86 0.00 2.00 2.11 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 170 K 8.24 3.89 0.00 1.87 1.87 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 171 I 7.70 3.50 1.64 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.42 -0.13 0.00 0.00 172 L 7.98 3.87 0.00 1.84 1.63 0.87 -0.30 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 0.00 173 N 8.32 4.32 0.00 2.93 2.84 0.00 0.00 7.01 8.43 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 0.00 174 K 8.26 4.14 0.00 1.82 1.81 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 175 I 7.93 3.97 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 1.04 0.00 0.00 176 E 8.12 4.00 0.00 1.98 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 0.00 2.34 2.34 0.00 177 S 8.37 4.42 0.00 4.09 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 0.00 178 G 7.70 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 0.00 179 E 8.14 4.18 0.00 2.10 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 2.26 0.00 180 L 7.70 4.68 0.00 1.63 1.50 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 181 D 8.45 4.85 0.00 2.69 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 0.00 182 P 0.00 4.60 0.00 2.47 2.40 0.00 3.88 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 2.10 2.14 0.00 183 E 7.92 4.39 0.00 2.02 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 0.00 2.33 2.41 0.00 184 R 7.43 4.28 0.00 1.80 2.12 0.00 3.31 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 185 M 8.36 3.83 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 186 G 8.12 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.