NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3719 8.3344 115.4044 57.2442 64.9682 173.4625 4 I 3.4946 7.6082 121.7245 59.7223 38.1868 173.9426 5 S 4.4009 8.5801 122.0087 57.4976 65.2308 173.0575 6 E 3.9793 9.0099 123.4209 59.7166 29.4697 179.8396 7 K 3.8223 7.5374 115.8696 57.2054 31.8497 178.2710 *9 V 3.9884 7.8946 118.8251 62.4313 33.3382 177.0896 10 E 4.0002 8.2314 119.7436 59.2587 29.3855 178.7019 11 A 4.0319 8.0542 120.8222 54.9963 18.3670 179.5517 12 L 3.9741 7.9275 117.0690 58.2049 41.7377 179.3952 13 N 4.4208 8.8979 116.5705 56.3625 38.3293 177.7074 14 R 4.0819 8.1411 119.6322 59.0409 30.1594 178.7531 15 Q 3.9905 8.1217 119.6464 59.0346 28.9739 178.1724 16 I 3.8118 8.2123 121.3841 64.4356 37.0865 177.7912 17 N 4.3956 8.3427 117.6550 56.7901 38.8084 176.7641 18 A 4.1376 8.3759 122.4196 55.1879 18.4554 179.5413 19 E 4.1066 8.9478 117.6443 59.6931 29.6149 179.5802 20 I 3.8188 8.1529 120.0300 64.3338 36.8389 177.9210 21 Y 4.1854 8.5440 120.9192 60.8862 38.6817 178.0484 22 S 3.6636 8.3423 115.8810 61.3386 62.8436 176.6167 23 A 4.2161 8.0626 123.3128 55.6059 18.1550 179.1425 24 Y 4.3535 8.2329 118.0704 60.6080 38.6063 177.6577 25 L 3.6803 7.6968 120.8467 58.5048 42.1685 178.4588 26 Y 4.4684 7.3873 115.1213 60.8041 38.1227 177.5445 27 L 3.9814 8.4936 121.9941 57.8472 42.1471 179.4409 28 S 4.3379 8.0287 111.7165 58.4535 62.2022 175.6524 *30 A 4.5715 7.9754 124.2326 51.8498 20.2521 179.8609 31 S 4.1012 7.9059 108.2133 61.4866 62.3905 175.4534 32 Y 4.3071 8.1294 122.2417 60.8808 38.6339 178.0257 33 F 3.8746 8.0505 118.0714 60.6138 38.9619 176.9392 34 D 4.4300 8.5429 117.9861 57.4020 40.7182 178.4112 35 S 4.2841 7.9071 113.9264 59.9385 63.1353 175.3530 36 I 4.3374 7.2559 115.7799 60.5290 38.2299 176.7157 37 G 3.9395 8.0047 110.1762 46.3882 0.0000 175.6063 38 L 4.5078 7.4340 120.3298 53.8379 40.5517 176.7331 39 K 4.3133 8.3250 123.5217 58.3106 32.4728 178.9569 40 G 4.0557 8.5185 108.0007 47.2570 0.0000 175.7940 41 F 3.5512 8.4057 118.8160 60.0968 38.8532 177.4138 42 S 4.4222 8.0205 113.6305 61.7215 63.0079 175.6817 43 N 4.4332 8.1097 119.5918 56.7483 38.5095 177.4224 44 W 4.1825 7.9442 126.1354 58.4725 30.8214 177.4185 *46 R 4.3839 7.9624 118.4046 55.8466 31.7500 178.1097 47 V 3.6312 7.8715 117.1302 65.8401 31.3355 177.9527 48 Q 3.6808 8.1071 119.5908 58.4135 28.7435 177.9089 49 W 4.3759 8.1769 129.2989 60.6574 30.6290 177.8333 50 Q 3.5754 8.0125 116.8836 58.7515 28.1705 178.0707 51 E 3.9693 7.9829 119.6193 59.1977 29.8954 178.4396 52 E 4.0856 8.4804 119.0621 59.0281 29.3192 180.1823 53 L 4.1105 7.3183 117.3994 55.1118 41.8586 178.1705 *55 H 4.9150 8.1892 117.1776 56.1904 30.5193 175.5236 56 A 4.2446 8.1085 118.0130 52.9677 17.6579 177.5858 *58 K 4.1150 8.0092 118.2137 57.7683 33.8547 177.1380 *60 F 4.7057 8.0117 120.9232 57.9396 41.0969 176.7876 61 D 4.5145 8.2921 119.8784 57.0922 40.6222 178.3389 62 F 3.7710 8.1223 120.9460 61.2172 39.3204 177.3142 63 V 3.3109 7.6730 117.3291 65.8472 31.1844 177.8084 64 S 4.0004 7.7157 112.6056 61.3916 62.1095 175.7639 65 E 3.8038 8.3407 120.6607 58.8180 29.3116 177.9717 66 R 4.0714 7.2219 115.8650 55.5429 30.2291 177.2016 67 G 3.7821 7.9196 107.2633 45.6019 0.0000 174.5080 68 G 3.6622 7.7046 108.2673 44.8255 0.0000 173.3857 69 R 4.2778 8.0269 120.3613 53.9537 31.2721 176.0218 70 V 4.0311 7.9320 125.1331 61.7552 32.0680 174.6265 71 K 4.3264 8.5082 128.1414 54.4212 33.7117 174.9641 72 L 4.4320 8.0436 125.9003 53.5220 43.1291 175.4003 73 Y 4.7336 8.0490 118.9408 55.3416 40.9579 175.3060 74 A 4.0301 8.6162 123.6942 53.0100 18.8066 177.2346 75 V 4.3230 8.1264 120.7697 61.2369 32.8476 175.7312 76 E 4.2921 8.7329 126.7009 55.4578 30.2195 176.1392 77 E 4.0867 8.9103 122.9391 56.2939 29.8871 175.1628 78 P 5.0098 0.0000 0.0000 60.2464 32.7602 173.9221 79 P 4.3215 0.0000 0.0000 63.1429 31.5246 176.2051 80 S 4.5975 7.6581 109.7868 56.4497 64.3332 173.4793 81 E 4.4981 6.4745 118.7256 54.7877 33.0566 174.3727 82 W 4.8915 7.5053 119.6862 54.6816 33.1414 176.2958 83 D 4.1258 8.9356 120.9676 57.2606 40.6818 177.0170 84 S 4.8034 7.4180 113.3058 56.5697 67.1269 175.3630 85 P 4.5601 0.0000 0.0000 65.9238 30.9789 178.7410 86 L 4.0636 8.0196 118.4001 58.0323 42.2013 178.6834 87 A 4.1017 8.2163 120.6559 55.0800 18.3442 179.5449 88 A 3.3453 8.2845 119.3743 55.2274 18.4800 179.9212 89 F 3.9113 8.5823 115.9054 60.1031 38.9317 177.8418 90 E 4.2163 8.3549 118.9297 59.5328 29.1598 178.6429 91 H 4.4272 8.2664 118.3290 58.9630 29.8728 177.5422 92 V 3.7413 7.8342 120.2648 66.2221 31.4053 177.2264 93 Y 4.2013 8.2636 119.2282 60.8686 38.5751 178.1292 94 E 3.8388 8.4372 119.2955 59.6950 29.5722 178.6902 95 H 4.1562 8.7177 118.6326 59.5330 29.8756 177.1347 96 E 4.0872 8.7521 120.7607 59.3429 29.2751 179.4575 97 V 3.4845 7.6587 118.4117 65.8699 31.5085 177.8760 98 N 4.2613 8.2600 116.2988 56.2807 38.3423 177.3755 99 V 3.5965 8.0352 119.9402 66.4356 31.4945 177.9486 100 T 3.8453 8.2689 115.7417 66.7056 68.3192 176.3418 101 K 3.8984 7.8716 121.2943 59.5609 32.2292 178.8550 102 R 3.9902 8.1218 118.9588 59.1765 30.0915 178.4455 103 I 3.7197 8.1739 120.3185 64.6947 37.1503 178.0408 104 H 4.2963 8.5616 117.4172 58.9488 28.2673 177.7598 105 E 4.0700 8.0573 119.6557 59.2455 29.3428 178.9954 106 L 4.1579 7.7552 118.5032 57.5796 41.6914 179.4651 107 V 3.8533 7.5347 117.1936 65.8896 31.5800 179.2780 108 E 4.1714 7.7701 114.6565 56.6197 29.5229 177.4289 *110 A 4.2196 7.8038 119.7474 52.3180 20.2266 179.1897 *112 Q 4.2614 8.0736 118.6791 56.9087 30.4979 176.1136 113 E 4.3503 8.0618 113.5969 55.2512 29.8024 175.7383 114 K 3.3772 7.7143 116.5158 57.3090 29.9177 175.9010 115 D 4.5095 7.5977 119.8683 52.7909 39.7222 176.5029 116 F 4.6811 7.7581 122.6354 59.9401 39.2556 176.5618 117 A 4.2389 8.2417 120.3340 55.5477 18.2691 179.6451 118 T 4.0627 8.4216 113.9187 66.6845 68.3571 176.4200 119 Y 4.1194 8.1277 120.8129 61.0195 38.9894 177.8595 120 N 4.5879 8.7190 117.3800 56.2231 38.2412 177.2416 121 F 4.1539 8.3522 122.1486 61.1400 39.4139 176.7505 122 L 4.0846 7.9068 117.4094 56.4704 41.5214 179.0685 123 Q 3.9182 7.6088 118.7431 58.2539 28.5247 178.1801 124 W 3.8995 7.7667 128.5463 60.7321 30.7069 177.6927 125 Y 4.0076 8.0791 116.1808 60.6970 36.8173 178.2571 126 V 3.5594 7.9329 119.1255 66.0072 31.5097 177.9943 127 A 3.8500 7.8610 120.3401 55.1253 18.2311 179.1528 128 E 3.4222 7.9387 118.1302 59.3602 29.4582 179.1285 129 Q 4.0129 8.1260 118.2003 58.4665 28.7418 178.3902 130 V 3.5570 7.3480 118.6932 66.1291 31.4538 177.7674 131 E 3.9064 7.8437 118.7426 59.3257 29.3517 178.5789 132 E 4.0388 8.1823 118.6420 59.3831 29.5284 179.2826 133 E 4.1133 8.8088 118.7518 59.5430 29.6557 179.1917 134 A 4.1019 8.0677 120.7865 55.4526 18.1519 179.8667 135 S 4.2281 8.5436 113.4821 61.3802 62.9193 176.7769 136 A 4.2589 8.0742 123.9168 55.1401 18.2215 179.4895 137 L 3.7296 8.2122 118.9797 58.0710 42.1491 178.5292 138 D 4.2857 8.1895 118.0916 57.4899 41.0483 178.4514 139 I 3.4627 7.3242 120.0957 63.9812 36.9383 178.3890 140 V 3.5488 7.7692 119.2425 66.2901 31.1897 178.0544 141 E 4.0002 8.6793 118.3068 59.0630 29.2686 179.4667 142 K 3.9878 7.9637 118.8608 59.2368 32.2357 179.3739 143 L 4.1000 8.2428 119.5457 57.3433 41.2296 179.8524 144 R 3.8950 7.7548 117.7775 59.2078 30.1576 178.3306 145 L 4.0664 7.3733 118.8002 58.2290 42.1467 178.8351 146 I 3.8686 7.9335 119.9080 62.3973 37.2725 177.4035 147 G 3.7655 8.0987 107.0021 47.2875 0.0000 174.1489 148 E 4.3584 8.7434 123.7090 55.7705 29.9268 175.4917 149 D 4.3414 7.8050 120.2128 54.7378 42.0177 176.7095 150 K 4.1297 8.6127 127.4599 58.8074 32.4442 179.2658 151 R 3.8884 8.0477 118.5897 59.4792 30.0524 178.3535 152 A 4.0730 8.1890 120.0753 54.7580 18.2645 179.4693 153 L 3.9872 7.7536 118.8196 58.4385 42.1537 179.2100 154 L 4.2221 7.9926 118.7247 57.5493 41.4948 179.2795 155 F 3.9730 8.4457 121.0160 61.0577 39.3475 176.9551 156 L 4.0130 7.9715 119.8827 57.7728 41.9577 177.9546 157 D 4.3409 8.8489 118.5351 57.5092 40.6008 178.5839 158 K 3.8400 8.1014 119.9755 59.3890 32.2916 178.2735 159 E 3.7653 7.8155 119.5849 59.3439 29.5619 178.7685 160 L 4.0678 7.7216 118.8694 57.0891 41.4974 179.2030 161 S 4.2449 7.3201 112.1056 60.6928 63.0156 175.9424 162 L 4.0874 7.5035 121.2364 55.6608 41.8186 177.3331 163 R 4.0152 7.3103 119.4762 56.2330 30.6909 176.2285 164 Q 4.2039 8.4092 122.1323 56.1128 29.3349 175.3828 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 3 S 8.33 4.37 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.61 3.49 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.13 0.82 0.00 0.00 5 S 8.58 4.40 0.00 4.01 3.84 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 0.00 0.00 0.00 6 E 9.01 3.98 0.00 2.05 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 2.38 2.40 0.00 7 K 7.54 3.82 0.00 1.72 1.87 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *9 V 7.89 3.99 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 0.87 0.00 0.00 0.88 0.00 0.00 10 E 8.23 4.00 0.00 2.21 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 2.40 2.51 0.00 11 A 8.05 4.03 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 12 L 7.93 3.97 0.00 1.89 1.81 1.11 0.81 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 13 N 8.90 4.42 0.00 2.98 3.18 0.00 0.00 7.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.14 4.08 0.00 1.99 1.94 0.00 2.97 0.00 0.00 2.65 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 15 Q 8.12 3.99 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 16 I 8.21 3.81 2.17 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 1.55 0.70 1.07 0.00 0.00 17 N 8.34 4.40 0.00 3.10 3.07 0.00 0.00 7.13 8.51 0.00 0.00 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 A 8.38 4.14 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.95 4.11 0.00 2.17 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 2.66 2.65 0.00 20 I 8.15 3.82 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.93 0.00 0.00 21 Y 8.54 4.19 0.00 3.15 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 22 S 8.34 3.66 0.00 4.16 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.06 4.22 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.35 0.00 3.19 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 25 L 7.70 3.68 0.00 0.84 1.22 1.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.39 4.47 0.00 3.26 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 27 L 8.49 3.98 0.00 1.27 1.55 -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.03 4.34 0.00 3.86 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 *30 A 7.98 4.57 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 31 S 7.91 4.10 0.00 3.87 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.13 4.31 0.00 3.24 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 33 F 8.05 3.87 0.00 3.32 3.24 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 34 D 8.54 4.43 0.00 2.83 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 35 S 7.91 4.28 0.00 4.07 4.08 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 36 I 7.26 4.34 1.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.66 0.00 0.00 37 G 8.00 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 38 L 7.43 4.51 0.00 1.80 1.85 0.58 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.33 4.31 0.00 1.87 1.87 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.59 7.81 40 G 8.52 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.41 3.55 0.00 2.70 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.02 4.42 0.00 4.10 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.11 4.43 0.00 2.89 3.09 0.00 0.00 6.95 8.11 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 44 W 7.94 4.18 0.00 3.38 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 *46 R 7.96 4.38 0.00 2.13 2.14 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 47 V 7.87 3.63 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 0.85 0.00 0.00 0.86 0.00 0.00 48 Q 8.11 3.68 0.00 1.49 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 1.45 2.24 0.00 49 W 8.18 4.38 0.00 3.66 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.01 3.58 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 51 E 7.98 3.97 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 52 E 8.48 4.09 0.00 2.09 2.24 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 2.74 2.89 0.00 53 L 7.32 4.11 0.00 1.46 1.40 0.63 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.19 4.92 0.00 3.55 3.76 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.11 4.24 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 *58 K 8.01 4.12 0.00 1.70 1.98 0.00 0.86 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.43 7.81 *60 F 8.01 4.71 0.00 3.20 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 61 D 8.29 4.51 0.00 2.98 2.76 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 62 F 8.12 3.77 0.00 2.34 2.52 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 63 V 7.67 3.31 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 0.82 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.06 0.00 0.00 141 E 8.68 4.00 0.00 2.10 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 2.27 2.28 0.00 142 K 7.96 3.99 0.00 1.84 1.80 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.53 7.81 143 L 8.24 4.10 0.00 1.78 1.73 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.75 3.90 0.00 1.93 1.97 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 145 L 7.37 4.07 0.00 1.74 1.67 0.90 1.06 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 0.00 146 I 7.93 3.87 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.08 0.92 0.00 0.00 147 G 8.10 3.77 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 0.00 0.00 0.00 148 E 8.74 4.36 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 149 D 7.80 4.34 0.00 2.65 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 0.00 150 K 8.61 4.13 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.70 7.81 151 R 8.05 3.89 0.00 1.88 1.92 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 152 A 8.19 4.07 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 0.00 153 L 7.75 3.99 0.00 1.81 1.85 0.89 0.68 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 0.00 154 L 7.99 4.22 0.00 1.98 1.75 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.45 3.97 0.00 3.20 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 0.00 156 L 7.97 4.01 0.00 1.87 1.91 0.73 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.85 4.34 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 0.00 158 K 8.10 3.84 0.00 1.83 1.63 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.33 7.81 159 E 7.82 3.77 0.00 1.75 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 160 L 7.72 4.07 0.00 1.61 1.49 0.60 -1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.32 4.24 0.00 4.04 3.95 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 0.00 162 L 7.50 4.09 0.00 1.70 1.72 0.84 0.79 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 0.00 163 R 7.31 4.02 0.00 1.82 1.79 0.00 2.78 0.00 0.00 2.72 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 164 Q 8.41 4.20 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.