NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.3318 8.1685 120.1355 56.6519 34.5651 177.8286 10 A 3.7376 7.9226 120.3119 54.5037 18.2365 177.9050 11 A 3.8830 8.0454 118.9934 55.1838 18.9319 177.7684 12 L 3.8309 7.8032 118.3544 58.2060 42.0875 178.7139 13 R 3.7866 7.9115 118.8972 59.6597 29.9342 178.2501 14 E 3.9852 7.9501 117.6634 59.3099 29.4013 179.2172 15 K 4.0352 8.3561 119.9428 59.6028 32.1501 178.7729 16 L 3.9656 8.2853 119.4724 57.7965 41.4644 179.6256 17 I 3.5867 7.6165 119.8057 64.3385 37.0784 178.1091 18 D 4.3534 8.2034 119.7446 57.5734 40.6321 179.0574 19 L 4.0069 8.1852 119.2833 57.5475 41.6026 179.4185 20 A 3.9010 8.3004 121.2598 54.9667 18.2569 179.2487 21 E 3.8332 8.3654 117.7010 59.3882 29.7500 178.7537 22 A 4.2226 7.9332 122.0621 54.6285 18.3302 179.4138 23 Q 3.8618 8.2787 118.0162 59.3791 29.0919 178.4061 24 I 3.7522 7.7805 120.7650 64.6025 37.2736 178.2740 25 E 3.9494 8.4277 119.1745 59.1660 28.9906 179.4357 26 A 4.1416 7.7110 119.9412 54.6071 18.8105 178.1275 27 E 4.4475 8.4271 112.1116 55.4453 31.6671 177.1919 28 G 4.0525 8.3807 105.0680 44.9193 0.0000 174.5833 29 L 3.8526 8.5782 120.1585 58.0205 42.0325 179.2195 30 A 4.1141 7.9835 119.4210 54.6351 18.3560 178.1702 31 S 4.3249 7.7646 108.8706 59.2275 63.6431 174.4351 32 L 4.0946 7.5301 124.3836 55.0868 42.3671 176.7096 33 R 4.7117 8.2869 123.7055 53.4572 34.9841 176.1421 34 A 3.9231 8.5754 124.4919 55.2534 18.5717 180.1551 35 R 3.8631 8.0310 116.1282 59.5244 30.1170 178.7575 36 E 3.9193 8.0707 118.2312 59.2678 29.7019 178.5414 37 L 3.9208 7.9060 118.8279 57.7956 41.6907 179.3815 38 A 3.9524 8.2303 120.9039 55.0016 18.3713 179.6420 39 R 3.8029 8.0844 117.0882 59.8552 30.0407 178.7088 40 Q 3.9957 8.0793 116.3436 59.0135 28.8042 178.5925 41 A 4.0497 8.2344 120.5141 52.3304 19.2689 176.3681 42 D 4.2993 7.9307 115.4881 55.4648 39.6112 171.9513 43 C 4.8729 8.0909 111.5523 55.9389 33.6117 173.6306 44 A 4.2542 8.1991 122.2443 51.5696 19.0084 178.8632 45 V 3.6140 8.5321 120.4189 65.9507 31.8984 178.7956 46 G 3.8218 8.1995 105.7574 47.4068 0.0000 175.3228 47 A 4.1385 7.9115 124.4003 54.4050 18.3553 179.7950 48 I 3.7858 7.5109 118.2675 64.7636 36.9785 177.7759 49 Y 5.2242 7.3959 115.6297 59.5216 37.8827 177.4745 50 T 4.0335 7.7346 117.8464 66.0312 68.3243 175.6772 51 H 4.4177 7.4750 116.2449 55.8573 30.4908 175.1343 52 F 4.9097 7.8624 116.9937 55.2810 42.7635 175.2457 53 Q 4.0724 9.1329 126.3133 59.2336 29.1971 175.9948 54 D 4.9950 7.7605 115.1629 51.6147 43.2265 175.6972 55 L 4.0232 8.6771 118.5463 57.8728 41.4522 179.1693 56 N 4.2455 8.2710 116.4724 56.6384 38.6555 176.5717 57 A 4.0776 8.8500 122.6178 55.1381 18.5966 179.3944 58 L 3.3727 7.7973 118.3773 58.3548 41.9923 179.3095 59 T 3.8637 8.0699 115.8681 66.5667 68.3006 176.5307 60 L 4.0839 8.0987 120.9252 57.8715 41.4596 179.4679 61 E 4.2509 8.1843 118.3688 59.3829 29.4255 179.5252 62 V 3.6001 7.7192 117.8323 66.2071 31.5852 177.8456 63 N 4.2665 8.7262 116.7246 55.9893 38.3755 177.5379 64 G 4.1173 8.5196 107.3667 48.2337 0.0000 175.9781 65 R 4.0767 7.9377 120.7196 59.1485 30.0170 179.3641 66 T 4.0417 7.9752 115.5959 66.6380 68.4495 176.6071 67 F 4.4226 8.4092 119.9339 60.6443 38.9425 177.4875 68 A 4.0911 8.1021 119.7811 55.3708 18.2331 179.8947 69 R 3.9503 8.1161 116.4921 59.3673 30.1166 179.0949 70 L 3.6926 8.0196 120.2999 57.9217 42.0589 179.2471 71 G 3.6678 8.6766 105.9568 47.7426 0.0000 175.5456 72 A 3.9979 7.9846 122.0374 54.8749 18.4824 179.2890 73 A 4.0997 7.8885 118.3287 55.1756 18.5100 179.8120 74 V 3.6703 7.7554 116.2010 63.4401 32.0594 176.6329 75 G 3.7372 8.0318 103.2407 44.3838 0.0000 175.6413 *83 D 4.5879 8.8982 124.9685 53.8358 42.7046 175.6739 84 D 4.4591 8.0960 116.6948 55.7757 41.9663 175.8336 85 H 4.8609 7.6508 116.2431 52.8935 28.9711 172.0492 86 P 4.2842 0.0000 0.0000 65.8206 31.4638 178.4425 87 N 4.3319 8.0808 115.8079 56.0596 38.4434 176.7734 88 E 3.9616 8.1443 120.3017 59.1911 29.5408 178.9647 89 R 3.9006 7.7583 117.3248 59.2059 30.2380 178.5623 90 L 4.1400 7.6918 117.4677 57.8859 41.8315 179.4755 91 I 3.8111 7.8288 119.3112 64.1616 37.0192 179.2872 92 A 4.1585 7.9105 118.5116 53.0703 18.0099 179.2418 *94 S 4.4712 8.0335 118.6757 60.4947 65.1506 176.2042 95 H 4.3058 8.5486 117.4697 58.8247 28.2615 177.7629 96 A 4.0769 8.1991 122.7685 55.0701 18.1538 179.0189 97 Y 4.0893 8.1106 117.6683 60.7579 39.0082 177.7596 98 L 3.6738 8.2426 121.0782 58.2372 42.1518 178.7646 99 A 3.9169 8.0755 120.5178 55.0040 18.2842 179.3444 100 F 3.8900 8.3838 118.9099 61.4312 39.0250 177.0988 101 A 3.1878 7.5110 120.3181 54.8841 17.5639 179.9265 102 R 3.7164 7.4300 115.3709 59.3536 30.2488 178.8875 103 E 3.9500 8.0934 117.4215 58.4393 31.0140 177.4486 104 H 4.8240 7.8468 115.2498 53.1859 28.9567 172.7167 105 P 4.6551 0.0000 0.0000 65.4062 31.5664 178.8474 106 K 4.0932 8.0116 117.5949 59.0369 32.0371 179.1912 107 L 4.0822 7.8919 117.8330 57.3421 41.9940 178.8541 108 W 4.7617 8.6179 128.5304 60.9244 30.8037 178.3221 109 R 3.6252 8.3496 117.6687 59.0418 29.2878 178.9032 110 A 4.0478 8.1693 120.6404 55.0088 18.0539 179.5916 111 L 3.7553 7.6328 116.5458 57.4950 41.7048 178.8888 112 F 4.5001 7.9761 115.0875 58.3481 39.6660 176.7280 113 D 4.7361 7.8403 116.9887 53.7604 41.7272 177.3278 114 V 3.7996 6.7481 118.8742 61.2189 32.0565 175.7767 115 E 4.0257 8.8694 122.1348 56.2132 29.7460 176.9955 *117 R 4.1546 8.2470 121.1304 55.8399 31.3106 176.9346 118 S 3.9075 8.5079 114.7585 61.1387 63.6062 175.6577 119 D 4.3483 8.2468 120.7258 57.1678 40.6898 176.7917 120 G 3.9141 7.0769 105.7958 43.5037 0.0000 170.8522 121 P 4.2732 0.0000 0.0000 62.1627 31.5761 176.2029 122 V 4.1402 8.1059 123.6337 60.2087 32.9203 174.0208 123 P 4.4066 0.0000 0.0000 62.5473 33.0341 176.8706 124 Q 4.0037 8.8988 120.8500 59.2153 28.7862 179.6968 125 W 4.2985 8.3149 116.9145 59.7466 27.9144 177.6611 126 Y 3.2741 6.7257 118.9905 60.0717 38.3868 177.3614 127 G 3.5976 8.1742 105.7178 47.7866 0.0000 174.9543 128 H 4.2530 8.3873 120.3926 58.9232 30.0365 177.6440 129 A 3.7424 7.4376 118.3019 53.1451 18.0042 178.6649 *131 A 3.9487 7.9074 124.7890 53.3717 20.5735 179.8380 132 Q 3.6070 7.9365 115.6828 59.0258 29.2763 178.0074 133 L 3.9822 7.3267 119.5088 57.9620 41.7249 179.6232 134 F 3.9471 8.1556 117.2151 60.3250 38.6540 177.6535 135 S 4.1420 7.6827 113.4986 61.3222 62.5019 176.1643 136 Y 4.3661 7.0798 119.4956 60.8172 37.3146 177.8629 137 I 3.9787 7.5995 120.4263 64.4716 37.5028 178.3126 138 T 3.9965 7.9889 116.4688 66.7407 68.3091 176.5155 139 T 3.8583 7.7718 118.2209 66.2887 68.5276 174.6522 140 P 4.3721 0.0000 0.0000 66.0114 31.3492 178.3254 141 L 4.1262 7.7884 117.4064 57.5748 41.5441 179.2738 142 A 4.2025 8.1249 120.8600 55.0258 18.0384 179.9139 143 K 4.0505 7.5059 115.2326 59.6207 32.2304 179.4240 144 I 3.7187 7.6212 119.0879 62.8409 38.5002 176.7846 145 F 4.9506 8.3511 119.3467 54.7193 38.4183 174.1307 146 P 4.5021 0.0000 0.0000 64.8235 31.6516 178.3438 147 E 4.2896 8.0925 116.0795 57.1690 30.0251 176.7633 148 S 4.4714 7.7052 116.0713 58.1425 63.5399 174.5947 149 D 4.7387 9.2332 125.6473 52.4572 42.0293 177.3245 150 D 4.3313 8.5228 118.1305 57.4042 40.6152 178.7966 151 A 3.9543 7.9811 120.6719 55.2419 18.2582 179.2603 152 E 3.8450 8.3976 115.7895 59.6588 29.6303 179.3995 153 L 4.0976 8.0347 118.0352 57.6523 41.9634 178.7808 154 D 4.5642 8.6236 118.3262 57.2605 41.1698 179.3189 155 L 3.8895 7.9442 116.7588 55.6907 41.3999 179.2113 *157 T 4.1942 7.8405 117.1453 63.8283 70.5962 176.5945 158 R 4.2434 8.0971 120.1740 59.6035 29.9289 179.3417 159 T 3.8612 7.9517 115.4109 66.8031 68.5605 176.8757 160 L 3.9760 7.8310 120.3847 57.4863 41.7048 179.2045 161 F 3.9087 8.4042 120.9292 61.4505 39.4092 177.2389 162 S 4.0051 8.6471 115.0602 61.7120 62.6426 177.0957 163 S 4.0305 8.1794 117.7728 61.5860 62.5437 176.8903 164 V 3.5168 7.5988 120.8310 66.2109 31.2792 177.3139 165 H 4.3385 7.8463 118.1204 59.3020 29.5699 177.3996 166 G 3.5372 7.9613 107.2627 47.7719 0.0000 175.6313 167 I 3.6963 7.5912 122.4260 64.1410 37.0879 178.7535 168 V 3.5513 8.0771 119.2144 65.7564 31.3710 177.7925 169 L 4.1865 8.4709 120.3671 58.4510 42.1737 179.0194 170 L 4.1556 8.0714 119.0518 57.5089 41.5276 179.9601 171 G 3.5653 8.0879 105.7506 47.5854 0.0000 175.9950 172 L 4.0987 7.9874 120.7857 57.0937 41.7296 178.8497 173 E 4.1610 8.2506 116.6831 56.4407 29.6563 176.3831 174 N 4.2440 7.9109 115.3131 54.1370 37.0494 174.8887 175 R 4.1896 7.6846 116.0678 55.8022 30.7720 178.3529 176 I 3.8915 8.2825 114.3189 63.0292 37.7553 177.0049 177 S 4.3866 7.9574 114.7190 59.3786 63.7308 174.6942 178 G 3.8348 7.4883 109.6629 44.5415 0.0000 173.3756 179 V 3.7624 8.0320 119.3867 61.5265 32.3955 173.8558 180 P 4.3499 0.0000 0.0000 62.5920 32.0763 177.1895 181 G 3.8823 9.0614 109.4828 48.3081 0.0000 175.7749 182 E 4.0479 8.2257 117.8476 58.1440 29.4403 177.8666 183 Q 4.4937 7.9237 117.4657 55.4673 29.2090 177.1135 184 L 3.9003 7.4844 121.3538 57.8178 42.0109 179.1837 185 K 4.1766 7.9257 117.6012 59.7527 32.0226 179.9967 186 T 3.6871 7.1257 111.6122 64.8534 68.3835 176.0420 *188 I 4.0488 7.8749 124.0557 61.5607 39.1826 177.6964 189 R 3.8671 7.9887 119.7268 59.7611 29.5875 178.3635 190 L 3.9854 7.8281 117.1320 57.6522 42.0306 179.2325 191 L 4.0866 7.8022 119.6105 58.3820 42.3475 179.0032 192 L 4.1538 8.0512 118.7896 57.5664 41.2864 179.1445 193 E 3.9915 8.3448 118.5095 59.6975 29.8007 179.1714 194 Q 4.2431 7.8196 116.4326 57.0331 28.5568 176.3498 195 V 3.7889 7.1129 119.9200 64.0049 31.5881 175.4060 196 G 3.5994 9.6953 114.9778 46.2302 0.0000 173.2063 197 R 4.1920 7.7766 123.4125 56.3129 30.5083 176.2571 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 K 8.17 4.33 0.00 1.85 1.97 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.46 7.81 10 A 7.92 3.74 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 11 A 8.05 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.80 3.83 0.00 1.75 1.59 0.92 0.88 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 13 R 7.91 3.79 0.00 1.78 2.00 0.00 2.98 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.39 0.00 14 E 7.95 3.99 0.00 2.14 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 2.46 2.45 0.00 15 K 8.36 4.04 0.00 1.94 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 L 8.29 3.97 0.00 2.05 1.68 1.10 1.05 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 17 I 7.62 3.59 2.01 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 1.48 0.87 0.90 0.00 0.00 18 D 8.20 4.35 0.00 2.85 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 19 L 8.19 4.01 0.00 1.65 1.69 0.89 0.85 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 20 A 8.30 3.90 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 21 E 8.37 3.83 0.00 2.14 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 0.00 2.46 2.35 0.00 22 A 7.93 4.22 1.41 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 23 Q 8.28 3.86 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 24 I 7.78 3.75 2.00 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 1.51 0.62 0.93 0.00 0.00 25 E 8.43 3.95 0.00 2.21 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 2.35 2.48 0.00 26 A 7.71 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.43 4.45 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 28 G 8.38 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 29 L 8.58 3.85 0.00 1.73 1.68 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.98 4.11 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.76 4.32 0.00 4.03 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 32 L 7.53 4.09 0.00 1.69 1.61 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.29 4.71 0.00 1.80 1.75 0.00 3.36 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 34 A 8.58 3.92 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 35 R 8.03 3.86 0.00 1.84 2.02 0.00 3.32 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 36 E 8.07 3.92 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 37 L 7.91 3.92 0.00 1.83 1.65 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.23 3.95 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 39 R 8.08 3.80 0.00 2.06 2.08 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 40 Q 8.08 4.00 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 41 A 8.23 4.05 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 42 D 7.93 4.30 0.00 2.84 2.74 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 43 C 8.09 4.87 0.00 3.07 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 44 A 8.20 4.25 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.53 3.61 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 1.00 0.00 0.00 0.96 0.00 0.00 46 G 8.20 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 47 A 7.91 4.14 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 48 I 7.51 3.79 1.37 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.62 0.00 0.00 49 Y 7.40 5.22 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 4.03 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 1.02 0.00 0.00 51 H 7.48 4.42 0.00 2.64 2.37 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.86 4.91 0.00 3.10 2.94 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 53 Q 9.13 4.07 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 54 D 7.76 5.00 0.00 3.04 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 55 L 8.68 4.02 0.00 1.76 1.77 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.27 4.25 0.00 2.83 2.98 0.00 0.00 7.11 7.80 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 57 A 8.85 4.08 1.56 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 0.00 0.00 58 L 7.80 3.37 0.00 1.14 1.59 -0.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.07 3.86 4.36 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 1.19 0.00 0.00 60 L 8.10 4.08 0.00 2.00 1.71 0.68 0.13 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 61 E 8.18 4.25 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.77 0.00 62 V 7.72 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 1.04 0.00 0.00 0.91 0.00 0.00 63 N 8.73 4.27 0.00 3.02 2.41 0.00 0.00 6.95 7.14 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 64 G 8.52 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 0.00 0.00 0.00 65 R 7.94 4.08 0.00 2.04 2.05 0.00 3.16 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 66 T 7.98 4.04 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 1.59 0.00 0.00 67 F 8.41 4.42 0.00 3.21 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 68 A 8.10 4.09 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 69 R 8.12 3.95 0.00 2.21 2.26 0.00 3.38 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 1.75 1.93 0.00 70 L 8.02 3.69 0.00 1.36 1.79 0.79 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.68 3.67 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 0.00 0.00 0.00 72 A 7.98 4.00 1.39 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 0.00 0.00 73 A 7.89 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.76 3.67 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 0.78 0.00 0.00 1.06 0.00 0.00 75 G 8.03 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 0.00 0.00 0.00 *83 D 8.90 4.59 0.00 2.69 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.10 4.46 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.65 4.86 0.00 3.25 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.28 0.00 2.31 2.29 0.00 3.65 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 2.01 2.00 0.00 87 N 8.08 4.33 0.00 2.82 2.89 0.00 0.00 6.79 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 88 E 8.14 3.96 0.00 2.08 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 2.36 2.46 0.00 89 R 7.76 3.90 0.00 2.27 1.98 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 90 L 7.69 4.14 0.00 1.81 1.73 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.83 3.81 1.96 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 1.41 0.83 0.74 0.00 0.00 92 A 7.91 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.47 0.00 4.04 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 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0.00 0.00 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 0.00 139 T 7.77 3.86 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 1.24 0.00 0.00 140 P 0.00 4.37 0.00 2.35 2.32 0.00 3.82 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 2.25 2.08 0.00 141 L 7.79 4.13 0.00 1.98 1.95 0.95 0.92 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 0.00 142 A 8.12 4.20 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 0.00 143 K 7.51 4.05 0.00 1.97 1.85 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.48 7.81 144 I 7.62 3.72 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.05 0.00 0.00 145 F 8.35 4.95 0.00 3.14 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 0.00 146 P 0.00 4.50 0.00 2.19 2.19 0.00 3.43 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 147 E 8.09 4.29 0.00 2.30 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 2.29 1.89 0.00 148 S 7.71 4.47 0.00 4.03 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 9.23 4.74 0.00 2.90 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 0.00 150 D 8.52 4.33 0.00 2.70 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 0.00 151 A 7.98 3.95 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.40 3.85 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 153 L 8.03 4.10 0.00 1.74 1.74 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.62 4.56 0.00 2.80 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 0.00 155 L 7.94 3.89 0.00 1.84 1.64 0.90 0.95 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 *157 T 7.84 4.19 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 0.93 0.00 0.00 158 R 8.10 4.24 0.00 2.13 2.15 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 159 T 7.95 3.86 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 160 L 7.83 3.98 0.00 1.68 1.71 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.40 3.91 0.00 2.75 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 0.00 162 S 8.65 4.01 0.00 4.02 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 0.00 163 S 8.18 4.03 0.00 3.99 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 0.00 164 V 7.60 3.52 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.93 0.00 0.00 165 H 7.85 4.34 0.00 2.55 3.17 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 7.96 3.54 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 0.00 0.00 0.00 167 I 7.59 3.70 2.04 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 1.40 0.91 0.92 0.00 0.00 168 V 8.08 3.55 2.23 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 0.69 0.00 0.00 1.08 0.00 0.00 169 L 8.47 4.19 0.00 1.73 1.62 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.07 4.16 0.00 1.75 1.71 0.92 0.78 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 0.00 171 G 8.09 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.99 4.10 0.00 1.73 1.76 0.52 1.17 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 0.00 173 E 8.25 4.16 0.00 2.06 2.02 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 2.39 2.54 0.00 174 N 7.91 4.24 0.00 2.91 2.91 0.00 0.00 6.98 7.65 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 0.00 175 R 7.68 4.19 0.00 1.89 1.85 0.00 3.30 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 176 I 8.28 3.89 1.87 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 1.47 0.53 0.91 0.00 0.00 177 S 7.96 4.39 0.00 4.00 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 0.00 178 G 7.49 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 179 V 8.03 3.76 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 0.98 0.00 0.00 0.93 0.00 0.00 180 P 0.00 4.35 0.00 2.26 2.00 0.00 3.68 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 2.11 2.09 0.00 181 G 9.06 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 0.00 182 E 8.23 4.05 0.00 2.11 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 2.27 2.34 0.00 183 Q 7.92 4.49 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 184 L 7.48 3.90 0.00 1.53 1.73 0.88 0.87 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 0.00 185 K 7.93 4.18 0.00 1.71 1.62 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.68 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.45 7.81 186 T 7.13 3.69 4.47 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 1.21 0.00 0.00 *188 I 7.87 4.05 2.10 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 1.33 1.02 0.89 0.00 0.00 189 R 7.99 3.87 0.00 1.94 2.18 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 190 L 7.83 3.99 0.00 1.66 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.80 4.09 0.00 1.75 1.85 0.93 0.66 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 0.00 192 L 8.05 4.15 0.00 1.73 1.69 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 193 E 8.34 3.99 0.00 1.91 2.02 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 2.34 2.49 0.00 194 Q 7.82 4.24 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 195 V 7.11 3.79 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 0.91 0.00 0.00 1.02 0.00 0.00 196 G 9.70 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 R 7.78 4.19 0.00 1.97 1.96 0.00 3.25 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.