NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2828 8.4444 120.2262 56.2413 30.9417 174.5423 7 V 4.2387 7.9867 122.4753 58.9807 33.7388 174.5380 8 S 4.4873 8.2179 119.8167 57.9358 65.7991 174.8188 9 W 4.1201 9.5005 133.8753 60.9147 30.4105 178.5963 10 I 3.5708 8.0677 119.3863 64.4189 36.5910 178.4484 11 S 4.0979 8.2781 115.1584 60.9540 62.5728 176.3006 12 W 3.9263 8.1977 131.4820 60.1014 30.8572 177.2864 13 F 2.6877 8.0046 120.6545 61.1252 38.4296 176.9574 14 C 4.1253 7.7693 114.3849 61.7728 27.9707 175.3164 15 G 3.6795 6.9970 105.0172 44.0857 0.0000 174.1077 16 L 3.8103 6.3849 121.4810 53.7176 42.2426 176.5636 17 R 4.0524 8.0785 122.2509 58.1057 30.2318 176.8060 18 G 3.8717 9.4294 114.5753 45.3465 0.0000 173.5621 19 N 5.1224 7.8731 116.5685 53.1229 38.7139 176.8578 20 E 4.1059 8.1069 120.3445 59.2514 29.6015 178.2497 21 F 5.0012 8.0378 115.6482 59.0726 39.4972 175.7609 22 F 4.6595 8.3376 119.9683 57.0979 39.4969 174.8794 23 C 4.7842 8.9824 118.6729 56.7411 31.6123 173.2359 24 E 4.5215 8.6187 120.2851 54.9250 28.8586 176.8329 25 V 2.8264 8.5994 125.3557 62.1340 32.3101 175.7508 26 D 4.5504 8.1165 127.2300 54.3579 41.5205 177.2352 27 E 4.0307 9.0966 123.3073 59.9248 29.2932 179.4135 28 D 4.6519 8.1495 118.4279 56.8111 40.6332 177.9166 29 Y 4.2727 8.0626 119.9352 60.8327 38.6401 177.9122 30 I 3.7613 7.7744 119.1524 64.1879 37.6877 177.8079 31 Q 4.3697 8.4670 118.5106 56.6997 28.7572 175.1682 32 D 4.8494 7.5559 119.6728 52.5590 41.2525 175.9241 33 K 3.6853 8.6199 128.8084 59.6050 31.8032 177.9240 34 F 4.1211 8.3589 116.7831 59.9339 38.8372 176.7698 35 N 4.5035 8.3363 115.6299 54.8464 38.6345 176.2349 36 L 4.5379 7.3613 118.9488 53.2556 41.9778 176.0864 37 T 3.8939 7.3828 115.8473 65.6336 68.3442 174.0182 38 G 3.9969 8.8519 114.5104 45.5064 0.0000 175.3261 39 L 4.0647 7.7565 119.7857 57.2952 41.8417 178.9778 40 N 3.1411 7.4900 115.2110 55.1180 36.9182 175.3712 41 E 4.2904 7.4851 114.9090 56.5605 29.7637 176.5052 42 Q 4.5630 8.0244 117.4326 55.8006 30.0401 175.7977 43 V 4.5961 7.3048 109.9633 58.7532 35.7221 173.1212 44 P 4.4970 0.0000 0.0000 62.9859 32.6484 175.0949 45 H 4.0706 8.6338 113.1387 56.2417 26.5901 176.1644 46 Y 4.0762 8.2057 121.0014 61.2165 38.7778 176.8373 47 R 3.6625 8.0678 118.6062 59.6298 30.0247 178.3750 48 Q 3.9002 7.9049 115.9498 58.5589 28.8310 177.9879 49 A 3.8817 7.8312 121.5203 54.8788 18.7171 179.1190 50 L 3.7427 7.6801 119.1647 58.0153 42.0465 179.6276 51 D 4.1415 7.6793 116.0002 55.0694 40.4569 178.3170 *53 I 3.2853 7.7155 122.2064 60.8652 38.8683 176.5176 54 L 4.4010 7.7262 117.4998 53.9149 41.3982 176.0233 55 D 4.4297 7.8372 116.5663 55.2378 38.3649 173.6236 56 L 4.3858 8.0535 117.8858 53.2077 42.8319 176.7358 57 E 3.9888 8.5337 122.7426 55.6929 30.5293 176.6385 58 P 4.4900 0.0000 0.0000 62.1396 31.1221 175.6188 *67 N 4.7879 8.8128 116.1396 54.8430 40.8609 177.3485 68 Q 4.0241 7.9979 116.5899 58.8845 28.6375 178.6018 69 S 4.0182 7.9470 113.6699 61.4252 62.5503 175.4751 70 D 4.3473 7.9989 120.2063 57.5047 41.0247 178.1182 71 L 4.1078 8.4050 119.8513 57.7603 41.5177 179.5779 72 I 3.7786 7.8750 120.0278 64.2237 37.1355 178.2246 73 E 4.0654 8.5462 119.8920 59.6140 29.0709 179.4879 74 Q 4.1430 8.0751 116.9810 58.8090 28.8397 178.2413 75 A 4.1506 7.9344 120.8720 55.0587 18.6448 179.1404 76 A 3.8389 8.3260 119.7530 55.0256 18.2912 179.7437 77 E 3.9492 7.9549 113.2661 57.3484 29.3189 178.0583 *79 L 4.1629 7.8232 121.0803 54.8200 44.0920 178.1501 80 Y 3.9258 8.1448 119.4856 60.4164 38.6555 178.2105 81 G 2.5790 7.5153 106.6407 47.5300 0.0000 175.7317 82 L 4.1570 7.4687 121.0609 57.3529 41.6139 179.5249 83 I 3.8247 7.8746 120.2050 64.5176 37.0435 177.7782 84 H 3.8284 8.2663 119.2792 59.2395 29.3836 177.0729 85 A 3.9157 7.6445 121.1227 55.1945 18.5190 179.5286 86 R 4.1056 7.7335 115.2218 59.3565 30.2896 178.4902 87 Y 3.6482 8.2765 120.3698 60.3918 38.8359 177.2819 88 I 3.7966 7.6067 110.0637 61.3917 37.5237 176.1256 89 L 4.5100 7.6020 120.2693 55.2701 42.4105 177.1392 90 T 4.4005 7.2842 110.5714 60.3443 71.5695 175.2487 91 N 4.2044 8.5147 119.6136 56.5755 38.5567 177.6151 92 R 3.8715 7.7898 119.4761 59.3699 30.0746 178.6673 93 G 2.9417 6.7284 103.5879 47.5033 0.0000 175.2982 94 I 3.9221 7.6349 121.3831 64.1622 37.4276 178.0271 95 A 4.1364 8.1581 121.6648 55.0775 18.1188 180.0593 96 Q 3.9037 7.8809 113.7674 56.6635 28.5683 178.0935 *98 L 4.1386 7.8968 124.4668 55.0931 44.2392 178.4485 99 E 4.1415 8.3244 118.8628 59.3125 29.5057 178.9381 100 K 4.0506 7.9917 118.1392 59.4901 32.0477 178.6206 101 Y 4.3164 8.2161 119.3058 61.1070 38.6135 178.2029 102 Q 4.0404 8.2419 117.3625 58.4995 28.8777 177.8773 103 Q 4.3753 7.7127 116.3920 55.2755 29.3181 176.3440 104 G 3.8125 7.7618 108.1234 46.5723 0.0000 175.6766 105 D 4.1531 7.7528 121.9219 56.4758 40.7015 177.5946 106 F 4.1320 7.4346 114.9123 56.8788 39.3774 175.9830 107 G 3.8510 7.8833 107.1812 45.1004 0.0000 172.1285 108 Y 4.8257 7.8909 114.3863 55.4384 41.0811 175.2225 109 C 4.0309 8.9541 123.4569 59.1603 31.9240 172.4306 110 P 4.3173 0.0000 0.0000 64.3897 31.8295 176.9084 111 R 3.9153 7.5590 119.7673 56.1008 30.7763 177.2277 112 V 3.3462 8.4453 122.9183 66.4114 31.4770 177.0003 113 Y 4.5880 7.4317 112.6831 59.0592 37.7386 175.6895 114 C 4.4261 8.1779 117.5716 58.9999 29.3482 173.1546 115 E 3.9887 8.7418 119.0629 58.2008 26.8610 174.2192 116 N 4.1930 7.9494 106.7687 53.7345 37.1271 175.2531 117 Q 4.0332 7.7993 118.4406 55.6263 29.5935 174.9601 118 P 4.3461 0.0000 0.0000 62.3433 32.5923 174.9627 *120 L 3.8736 8.0998 116.4459 53.9049 43.0914 175.1252 121 P 4.5095 0.0000 0.0000 63.0536 32.3004 175.2740 122 I 4.6690 8.6944 120.8181 59.8809 41.9692 173.5006 123 G 4.5067 8.9717 115.1242 44.8551 0.0000 174.7947 124 L 4.3126 8.6284 122.3082 56.1804 42.3503 177.0026 125 S 4.6616 7.6000 110.8838 56.9105 65.3590 172.9635 126 D 4.7333 8.6459 123.2506 54.2345 41.1968 176.3145 127 I 4.3342 7.7101 122.3434 58.8004 38.1631 173.7472 128 P 4.4830 0.0000 0.0000 64.0390 31.6765 176.8871 129 G 3.9825 9.7254 110.2516 45.6863 0.0000 173.8934 130 E 4.4097 7.6004 117.3332 57.7207 31.4556 175.8161 131 A 4.1210 7.2699 122.6891 51.3072 21.7257 174.5457 *133 V 4.1592 8.2109 114.6249 62.4026 32.7988 175.6834 134 K 4.8463 8.7071 122.2855 54.5906 36.2186 174.4751 135 L 5.1373 8.9595 120.1713 53.3304 45.0695 175.3471 136 Y 5.1206 9.2595 124.9679 56.0475 40.5347 174.1256 137 C 4.6855 8.2006 127.4409 56.9361 32.9256 172.6251 138 P 3.9170 0.0000 0.0000 64.4285 31.4704 177.5769 139 K 3.9959 7.4091 120.7600 59.1165 31.9032 176.8215 140 C 4.0039 7.2070 112.7459 59.6925 30.3819 173.4498 *142 D 4.3918 7.7074 116.7598 53.3431 43.2837 173.8906 143 V 5.0653 7.9154 120.1248 61.2832 33.6971 174.0841 144 Y 4.9235 9.3053 124.0800 56.3351 42.3486 174.5814 145 T 4.5887 8.5772 118.0385 62.1879 69.4227 173.3287 146 P 4.4638 0.0000 0.0000 62.7504 32.0076 177.6819 147 K 4.0654 8.8228 121.2890 59.0359 33.1675 176.9665 148 S 4.6221 7.5130 112.5263 56.1860 63.4650 174.9382 149 S 3.6071 8.4885 122.3803 60.4731 62.9362 176.2836 150 R 3.8564 7.3829 117.3778 58.5213 28.9372 176.9039 151 H 4.6767 7.8926 114.8557 56.0560 29.2399 175.4485 152 H 4.7185 8.1712 116.0284 56.9624 28.3547 175.2799 153 H 4.8534 8.0767 114.7850 55.5435 29.9594 172.8643 154 T 4.6285 7.6087 117.0710 61.7466 69.3678 174.3852 155 D 4.3689 8.8388 127.1931 53.8963 41.8100 177.2884 156 G 3.8168 8.9688 113.3567 47.3813 0.0000 175.3921 157 A 4.2689 8.2908 122.2034 54.4678 18.4370 178.1747 158 Y 4.8282 7.5636 113.1965 58.7798 38.2568 175.7525 159 F 4.1716 8.2890 117.5669 57.2152 41.6584 176.9410 160 G 4.1812 8.6226 105.1774 45.8433 0.0000 174.5471 161 T 4.1905 8.4104 116.9328 65.0946 67.6718 176.0602 162 G 4.0494 7.9044 108.0673 45.1171 0.0000 174.7325 163 F 4.1278 8.3821 122.5821 60.7014 39.8937 174.6426 164 P 3.5309 0.0000 0.0000 65.6399 31.1432 178.7009 165 H 4.0474 7.1579 114.0318 56.8039 29.4040 175.5021 *167 L 4.0550 8.0579 121.0706 54.5315 43.2363 178.3665 168 F 4.6084 7.3042 117.7598 57.4735 38.3362 177.4092 *170 V 3.9841 7.7057 120.9032 62.6190 33.9467 174.7831 171 H 5.1813 8.0867 115.9627 53.2097 28.8720 172.3955 172 P 4.6543 0.0000 0.0000 64.9449 31.8479 179.4106 173 E 4.0159 8.3635 117.5676 59.1316 29.3881 177.1596 174 Y 4.3831 8.0656 114.2919 58.4930 38.4686 175.7284 175 R 3.9014 7.9074 120.5877 54.7566 30.8288 174.8458 176 P 4.4178 0.0000 0.0000 62.8463 31.2989 176.2166 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 6 E 8.44 4.28 0.00 1.97 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 2.19 2.30 0.00 7 V 7.99 4.24 2.13 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 0.87 0.00 0.00 0.96 0.00 0.00 8 S 8.22 4.49 0.00 4.36 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 W 9.50 4.12 0.00 3.54 3.44 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 10 I 8.07 3.57 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.85 1.00 0.00 0.00 11 S 8.28 4.10 0.00 4.07 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 0.00 12 W 8.20 3.93 0.00 3.12 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 13 F 8.00 2.69 0.00 1.51 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 0.00 0.00 0.00 0.00 14 C 7.77 4.13 0.00 2.93 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 15 G 7.00 3.68 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 0.00 0.00 0.00 16 L 6.38 3.81 0.00 1.10 1.12 -0.42 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.08 4.05 0.00 1.65 1.72 0.00 3.13 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 1.49 1.54 0.00 18 G 9.43 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.87 5.12 0.00 2.47 2.51 0.00 0.00 6.84 7.27 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 20 E 8.11 4.11 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 21 F 8.04 5.00 0.00 2.85 2.91 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 22 F 8.34 4.66 0.00 3.38 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 23 C 8.98 4.78 0.00 3.27 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 24 E 8.62 4.52 0.00 2.09 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 2.36 2.39 0.00 25 V 8.60 2.83 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 0.01 0.00 0.00 0.39 0.00 0.00 26 D 8.12 4.55 0.00 2.95 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 27 E 9.10 4.03 0.00 2.05 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 2.45 2.47 0.00 28 D 8.15 4.65 0.00 2.72 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 29 Y 8.06 4.27 0.00 3.27 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 30 I 7.77 3.76 2.02 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 1.70 0.75 0.87 0.00 0.00 31 Q 8.47 4.37 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 32 D 7.56 4.85 0.00 2.75 2.64 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 33 K 8.62 3.69 0.00 1.72 1.46 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.42 7.81 34 F 8.36 4.12 0.00 3.13 3.12 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 35 N 8.34 4.50 0.00 2.35 2.05 0.00 0.00 6.93 7.88 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 36 L 7.36 4.54 0.00 1.72 1.74 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.38 3.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 38 G 8.85 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 0.00 0.00 0.00 39 L 7.76 4.06 0.00 1.87 1.83 0.97 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.49 3.14 0.00 2.23 1.71 0.00 0.00 6.02 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 41 E 7.49 4.29 0.00 1.94 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 2.20 2.33 0.00 42 Q 8.02 4.56 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 43 V 7.30 4.60 2.14 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 0.83 0.00 0.00 1.11 0.00 0.00 44 P 0.00 4.50 0.00 2.12 2.03 0.00 3.96 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 45 H 8.63 4.07 0.00 3.30 3.28 0.00 5.65 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.21 4.08 0.00 3.02 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 47 R 8.07 3.66 0.00 2.01 1.90 0.00 3.27 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 48 Q 7.90 3.90 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 49 A 7.83 3.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.68 3.74 0.00 1.08 1.37 0.71 1.09 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 51 D 7.68 4.14 0.00 2.75 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 *53 I 7.72 3.29 1.66 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 -0.26 0.91 0.00 0.00 54 L 7.73 4.40 0.00 1.63 1.64 0.85 0.91 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 55 D 7.84 4.43 0.00 2.82 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 56 L 8.05 4.39 0.00 1.60 1.53 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.53 3.99 0.00 1.89 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 2.26 2.31 0.00 58 P 0.00 4.49 0.00 2.03 1.89 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 *67 N 8.81 4.79 0.00 2.79 2.85 0.00 0.00 6.94 7.12 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 68 Q 8.00 4.02 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 69 S 7.95 4.02 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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8.49 3.61 0.00 3.98 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 0.00 150 R 7.38 3.86 0.00 1.73 1.96 0.00 2.85 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.00 151 H 7.89 4.68 0.00 3.32 3.14 0.00 5.63 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 H 8.17 4.72 0.00 3.25 3.25 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.08 4.85 0.00 3.11 3.33 0.00 5.88 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.61 4.63 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 1.59 0.00 0.00 155 D 8.84 4.37 0.00 2.41 1.54 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 0.00 0.00 0.00 0.00 156 G 8.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.29 4.27 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 0.00 158 Y 7.56 4.83 0.00 3.10 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 0.00 159 F 8.29 4.17 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.62 4.18 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 0.00 161 T 8.41 4.19 4.72 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 1.21 0.00 0.00 162 G 7.90 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.38 4.13 0.00 3.09 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 0.00 164 P 0.00 3.53 0.00 1.76 1.94 0.00 3.53 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 1.98 2.04 0.00 165 H 7.16 4.05 0.00 3.17 3.37 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *167 L 8.06 4.06 0.00 0.79 0.75 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 168 F 7.30 4.61 0.00 3.08 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 *170 V 7.71 3.98 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 0.51 0.00 0.00 0.84 0.00 0.00 171 H 8.09 5.18 0.00 3.21 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 4.65 0.00 2.26 2.36 0.00 4.01 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 2.13 1.98 0.00 173 E 8.36 4.02 0.00 1.93 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 2.32 2.41 0.00 174 Y 8.07 4.38 0.00 3.44 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 0.00 175 R 7.91 3.90 0.00 1.95 1.73 0.00 3.07 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.27 0.00 176 P 0.00 4.42 0.00 2.00 1.96 0.00 3.69 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 2.02 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.