NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2619 8.4445 119.1135 53.9119 29.7020 175.7673 4 L 3.8122 7.7206 119.6439 54.4388 41.4188 178.1733 5 T 4.2995 8.2127 116.8674 60.5960 70.3689 175.1286 6 E 3.9738 8.5873 122.1411 59.6663 29.0647 178.5242 7 E 3.8609 8.2942 120.6259 58.9375 29.3866 178.4415 8 Q 4.1195 7.6031 116.6758 58.4358 29.1544 177.8967 9 I 4.2956 8.6517 121.7546 64.0610 37.7150 177.4384 10 A 4.0662 8.1398 121.1257 55.6462 18.0382 179.1448 11 E 3.8648 7.8802 115.5619 59.6713 29.2651 179.4065 12 F 4.6866 7.9037 116.0794 59.2555 39.1034 176.2626 13 K 4.4505 7.8295 116.5154 58.1749 34.0079 177.5640 14 E 3.9974 8.7355 118.8366 59.7444 29.3732 179.7689 15 A 4.0273 8.6825 120.5373 55.2837 18.3525 179.3053 16 F 3.7002 7.5465 118.1021 61.4429 39.4198 177.4113 17 S 4.1269 8.9266 114.9603 61.5773 62.6776 176.1597 18 L 3.4125 7.4798 121.2705 57.4862 41.6433 177.5853 19 F 4.4539 7.6045 115.1115 57.0630 39.1983 175.6976 20 D 4.3763 8.4184 124.1994 51.8545 38.9433 175.8518 21 K 3.6343 7.7371 124.7116 59.5485 33.3155 177.5730 22 D 4.5447 8.2593 118.1114 59.1836 37.8334 178.9453 23 G 3.9858 6.8749 104.7499 47.6029 0.0000 174.7090 24 D 4.3480 10.3271 119.3542 53.4334 38.5645 176.1470 25 G 4.0465 7.1004 108.6342 44.4947 0.0000 172.7918 26 T 4.9703 8.1801 109.1388 59.3122 71.8311 173.1328 27 I 4.6803 8.1575 116.1522 58.7889 40.3815 176.5590 28 T 4.2533 9.2010 113.6242 61.8913 70.9824 174.8776 29 T 3.9427 8.2843 116.1490 67.1183 68.9082 176.9556 30 K 3.8821 8.0477 119.7407 59.7668 31.8379 179.0468 31 E 3.9907 8.5025 118.2538 59.1002 29.5220 178.9523 32 L 4.1031 7.7783 120.5125 58.3003 42.0626 179.1011 33 G 3.9641 8.0161 104.6133 48.5486 0.0000 175.2204 34 T 4.1334 7.7968 117.2841 65.6603 68.4321 177.1096 35 V 2.7939 7.5335 116.7843 64.2704 31.0467 177.4542 *37 R 5.0824 8.0718 116.0425 56.5538 31.9034 177.6157 38 S 3.8287 7.7692 111.2639 61.5870 62.6541 175.6398 39 L 3.9998 7.3867 117.8716 55.3737 41.2011 177.5761 40 G 3.8500 9.1091 108.3189 45.7562 0.0000 173.1156 41 Q 4.7712 7.2304 119.5047 55.1325 31.8239 173.9637 42 N 4.6900 8.0020 110.3637 52.2417 37.5269 172.3971 43 P 4.4674 0.0000 0.0000 62.9229 32.5679 176.7417 44 T 4.2980 8.2190 109.3513 60.9078 69.9333 175.7244 45 E 3.8305 8.7581 122.7561 59.5692 29.6730 178.6352 46 A 4.3605 7.8871 120.0555 53.7764 19.7122 178.4567 47 E 4.0919 8.2984 115.6388 58.4197 29.6644 178.1868 48 L 4.1305 7.8346 119.5875 57.9970 42.0736 178.3595 49 Q 4.2290 7.9957 118.3851 58.5901 27.9165 177.7422 50 D 4.2649 7.7353 120.2432 55.8929 42.0745 178.8966 *52 I 4.0222 7.9679 120.4292 61.1438 39.4760 176.9383 53 N 4.0692 9.0315 118.0298 56.6956 38.6734 174.3333 54 E 4.4718 7.4087 116.7445 55.9396 29.8723 177.1375 55 V 4.2501 8.3192 112.8425 61.2336 35.7058 174.5032 56 D 4.9827 8.6094 127.5700 53.7744 41.3037 176.5932 57 A 4.7959 7.9353 116.3348 52.3790 19.5867 177.4711 58 D 4.8426 8.2772 116.5387 55.2109 42.0824 175.8998 59 G 3.8921 8.4020 107.6945 46.1179 0.0000 175.0806 60 N 5.5809 7.9426 121.7505 52.3268 36.1190 173.6985 61 G 3.5604 7.4948 122.5609 44.8764 0.0000 170.8243 62 T 4.3325 7.5607 110.5619 61.7029 70.5133 171.9910 63 I 4.5784 8.0736 122.2684 59.2294 40.0992 175.4136 64 D 5.2680 8.0341 123.0174 52.1135 43.1377 176.4310 65 F 3.1863 9.1043 116.4986 60.5882 38.9968 175.6066 66 P 4.1724 0.0000 0.0000 66.0902 31.1216 178.7598 67 E 3.5894 10.2180 115.9221 59.0771 29.3532 179.0621 68 F 4.4664 7.2551 119.4654 60.4252 39.9215 176.7609 69 L 3.6893 8.1082 119.1417 57.5762 42.4686 177.7622 70 T 3.7855 8.0196 117.0760 62.8884 66.1072 174.1522 *73 A 4.1578 7.5651 127.0936 51.2127 20.9599 179.8858 74 R 3.6856 6.6035 114.1967 58.1455 31.4360 178.8875 75 K 4.3788 7.6819 118.0227 56.3623 32.8049 176.4745 *77 K 4.4977 7.8603 114.4616 55.2985 33.3963 174.7404 78 D 4.8046 8.0089 116.5409 55.5382 47.3800 175.0660 79 T 4.0005 7.0148 111.0586 62.8021 67.8843 174.1937 80 D 4.6836 8.4098 124.2783 54.4358 44.2526 177.3742 81 S 4.3049 8.2984 118.1452 61.3545 62.6388 175.6028 82 E 3.9388 8.3175 121.8501 59.1015 29.3805 178.3853 83 E 4.1413 8.0678 118.8317 59.1079 29.8132 177.9359 84 E 3.9945 8.2530 118.0724 59.9515 29.6270 179.3000 85 I 3.4705 7.8206 119.3043 64.7133 37.2457 178.1889 86 R 4.4014 8.2760 119.0133 58.7384 29.6929 177.9908 87 E 4.2075 8.1225 116.9696 58.4108 30.1669 177.9702 88 A 4.3474 9.0732 122.2624 55.3006 18.5285 179.0554 89 F 3.1977 8.4792 118.9104 61.6601 39.1859 177.6318 90 R 3.9014 7.9149 115.4980 58.8627 29.8215 179.1527 91 V 3.6640 7.5225 117.6600 66.1313 31.7301 177.9327 92 F 4.1727 8.2180 115.2176 59.0835 39.3376 176.2316 93 D 4.6142 7.5831 119.5405 52.6095 38.3719 176.4256 94 K 4.1037 8.2878 121.9008 58.1736 32.6062 177.7467 95 D 4.5986 7.7846 116.5551 52.7353 39.9789 177.2573 96 G 3.9115 8.3516 108.2922 46.0225 0.0000 174.1648 97 N 4.5394 8.2605 115.9287 53.0171 37.9303 176.1866 98 G 3.9686 8.9829 107.6470 45.5557 0.0000 172.6397 99 Y 5.1556 7.5956 115.2208 56.1113 42.1871 174.9319 100 I 4.7111 8.9555 123.2070 59.8255 39.4245 175.1486 101 S 4.8326 9.2126 122.5440 56.8343 64.9400 175.3397 102 A 4.0568 8.8671 122.9618 55.3494 17.9454 180.0667 103 A 3.9630 8.0053 119.0661 55.4293 18.6340 179.3924 104 E 4.1543 7.8330 114.0938 58.7633 29.6416 178.5325 105 L 4.1538 8.1525 122.0288 57.8934 42.3168 177.9843 106 R 4.0615 8.0919 118.5809 60.8307 30.1767 177.1442 107 H 4.2004 8.4372 117.8753 58.3311 29.4284 176.6804 108 V 3.3363 8.0688 122.1638 62.7996 31.6673 178.4632 *110 T 4.6097 7.8257 108.2029 61.6379 70.7541 175.5688 111 N 4.3730 7.6893 118.6447 56.0919 38.5527 175.8214 112 L 4.1665 7.4190 114.4450 55.0899 41.6610 176.9960 113 G 3.7573 9.3622 107.5346 46.3018 0.0000 173.2542 114 E 4.4560 8.0169 119.8070 53.5769 31.6317 174.7812 115 K 4.1815 8.7114 126.4350 56.0550 31.7219 176.1161 116 L 4.7153 8.1311 123.9767 52.7458 44.2064 176.4847 117 T 4.1129 8.3783 117.3556 61.5624 67.8579 174.8685 118 D 4.4177 8.8927 128.4561 57.6626 41.7258 178.5617 119 E 3.9476 8.2483 118.7953 59.5765 29.6481 179.0263 120 E 4.0831 8.0991 112.8388 57.3883 29.1224 177.3056 121 V 4.2169 7.9044 118.1411 64.7085 33.2462 177.6466 122 D 4.4270 7.6017 119.1129 57.2464 41.0910 178.1586 123 Q 4.3421 7.9642 118.8865 56.8749 28.8855 177.1470 *125 I 4.1126 7.7647 118.8853 61.3601 39.3745 177.8390 126 R 3.8311 7.7814 120.0067 59.4678 29.8910 178.0451 127 E 4.0596 8.0370 115.9210 57.8511 29.6435 176.8285 128 A 4.4451 7.4532 119.5011 52.8540 20.1671 176.4061 129 D 4.8294 7.8745 116.4088 53.7622 41.8370 175.6711 130 I 4.2662 8.9732 127.7744 62.5837 38.5936 176.5245 131 D 4.4698 8.4027 117.0418 53.5324 39.9226 177.1402 132 G 3.8981 8.4743 107.9948 46.1263 0.0000 173.0065 133 D 4.6450 8.2711 117.6642 52.8482 39.5177 178.7235 134 G 4.0382 8.9254 110.9945 45.9927 0.0000 173.7728 135 Q 4.7958 7.5874 115.9264 54.5014 31.7584 175.2730 136 V 4.8850 8.3821 112.2656 59.6856 34.5761 175.8452 137 N 5.2343 9.5540 123.5105 51.5429 39.8338 175.3992 138 Y 2.9173 8.1627 119.0344 60.9714 38.4209 177.6049 139 E 3.6935 8.0196 118.3247 59.5427 29.3365 178.7656 140 E 3.9280 9.8830 118.6788 59.6707 29.7519 179.2600 141 F 4.2345 8.3338 119.6062 61.5022 39.6073 176.8250 142 V 3.5610 8.0220 116.9623 65.6617 32.6481 177.6087 143 Q 4.1751 7.7624 118.6876 55.7141 24.0418 176.4100 *146 T 4.0451 7.4828 112.5672 61.3111 71.1516 175.3873 147 A 3.8089 7.7298 124.8439 52.1168 18.6179 177.2780 148 K 4.1199 8.5751 122.8969 56.5370 32.3212 175.8158 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 Q 8.44 4.26 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.72 3.81 0.00 1.73 1.53 0.92 0.62 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 5 T 8.21 4.30 4.26 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 1.26 0.00 0.00 6 E 8.59 3.97 0.00 2.25 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 0.00 2.38 2.39 0.00 7 E 8.29 3.86 0.00 2.07 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 2.39 2.40 0.00 8 Q 7.60 4.12 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 9 I 8.65 4.30 2.11 0.00 0.00 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 1.87 1.60 1.00 0.00 0.00 10 A 8.14 4.07 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 11 E 7.88 3.86 0.00 1.73 1.76 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 2.25 2.46 0.00 12 F 7.90 4.69 0.00 3.35 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 13 K 7.83 4.45 0.00 2.09 1.98 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.82 7.81 14 E 8.74 4.00 0.00 2.22 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 2.41 2.56 0.00 15 A 8.68 4.03 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 16 F 7.55 3.70 0.00 2.85 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 17 S 8.93 4.13 0.00 4.01 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 18 L 7.48 3.41 0.00 2.09 2.19 1.01 0.50 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 19 F 7.60 4.45 0.00 2.93 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 20 D 8.42 4.38 0.00 2.31 2.51 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 0.00 0.00 0.00 0.00 21 K 7.74 3.63 0.00 1.82 1.66 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.47 7.81 22 D 8.26 4.54 0.00 2.84 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 23 G 6.87 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 24 D 10.33 4.35 0.00 2.82 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 25 G 7.10 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 26 T 8.18 4.97 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 1.25 0.00 0.00 27 I 8.16 4.68 1.68 0.00 0.00 nan 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 0.95 -0.05 0.00 0.00 28 T 9.20 4.25 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 1.24 0.00 0.00 29 T 8.28 3.94 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 1.22 0.00 0.00 30 K 8.05 3.88 0.00 1.83 1.87 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.61 7.81 31 E 8.50 3.99 0.00 1.92 1.90 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 2.45 2.28 0.00 32 L 7.78 4.10 0.00 1.86 1.86 1.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.02 3.96 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 0.00 0.00 0.00 34 T 7.80 4.13 4.41 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 1.33 0.00 0.00 35 V 7.53 2.79 2.04 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 0.89 0.00 0.00 0.70 0.00 0.00 *37 R 8.07 5.08 0.00 1.99 1.96 0.00 3.47 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 38 S 7.77 3.83 0.00 3.84 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 39 L 7.39 4.00 0.00 1.60 1.74 0.79 0.95 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 40 G 9.11 3.85 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 0.00 0.00 0.00 41 Q 7.23 4.77 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 42 N 8.00 4.69 0.00 2.77 2.79 0.00 0.00 5.93 7.75 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 43 P 0.00 4.47 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 T 8.22 4.30 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 1.24 0.00 0.00 45 E 8.76 3.83 0.00 1.98 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 2.33 2.36 0.00 46 A 7.89 4.36 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 47 E 8.30 4.09 0.00 1.95 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 0.00 2.33 2.31 0.00 48 L 7.83 4.13 0.00 1.87 1.80 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.00 4.23 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 50 D 7.74 4.26 0.00 2.78 2.70 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 *52 I 7.97 4.02 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 1.01 0.00 0.00 53 N 9.03 4.07 0.00 2.52 2.98 0.00 0.00 7.34 7.53 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 54 E 7.41 4.47 0.00 2.30 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 2.31 2.31 0.00 55 V 8.32 4.25 2.45 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 0.63 0.00 0.00 1.06 0.00 0.00 56 D 8.61 4.98 0.00 2.70 2.84 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 57 A 7.94 4.80 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 58 D 8.28 4.84 0.00 2.85 2.66 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 59 G 8.40 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.94 5.58 0.00 2.71 2.82 0.00 0.00 7.25 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 61 G 7.49 3.56 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 0.00 62 T 7.56 4.33 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 1.27 0.00 0.00 63 I 8.07 4.58 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.88 0.98 0.00 0.00 64 D 8.03 5.27 0.00 3.24 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 65 F 9.10 3.19 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 66 P 0.00 4.17 0.00 2.30 2.08 0.00 4.02 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 67 E 10.22 3.59 0.00 2.24 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 2.41 2.75 0.00 68 F 7.26 4.47 0.00 2.80 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 69 L 8.11 3.69 0.00 1.66 1.72 0.69 1.07 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 70 T 8.02 3.79 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 1.15 0.00 0.00 *73 A 7.57 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 6.60 3.69 0.00 1.78 1.89 0.00 3.34 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 75 K 7.68 4.38 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.39 7.81 *77 K 7.86 4.50 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.48 7.81 78 D 8.01 4.80 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.01 4.00 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 1.34 0.00 0.00 80 D 8.41 4.68 0.00 2.72 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 81 S 8.30 4.30 0.00 4.07 4.15 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 82 E 8.32 3.94 0.00 2.02 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 2.38 2.50 0.00 83 E 8.07 4.14 0.00 2.23 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 2.31 2.41 0.00 84 E 8.25 3.99 0.00 2.29 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 2.45 2.53 0.00 85 I 7.82 3.47 2.01 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 1.46 0.88 1.11 0.00 0.00 86 R 8.28 4.40 0.00 1.97 2.17 0.00 2.94 0.00 0.00 2.86 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 87 E 8.12 4.21 0.00 2.19 2.04 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 2.32 2.68 0.00 88 A 9.07 4.35 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 89 F 8.48 3.20 0.00 2.84 3.26 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 90 R 7.91 3.90 0.00 1.89 2.01 0.00 3.22 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 91 V 7.52 3.66 2.38 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 0.59 0.00 0.00 0.98 0.00 0.00 92 F 8.22 4.17 0.00 2.68 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 93 D 7.58 4.61 0.00 2.14 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 0.00 0.00 0.00 94 K 8.29 4.10 0.00 1.98 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.56 7.81 95 D 7.78 4.60 0.00 2.97 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 96 G 8.35 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 97 N 8.26 4.54 0.00 3.07 3.04 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.98 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 99 Y 7.60 5.16 0.00 3.04 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 0.00 100 I 8.96 4.71 2.04 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.85 0.97 0.00 0.00 101 S 9.21 4.83 0.00 3.91 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 0.00 102 A 8.87 4.06 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 0.00 103 A 8.01 3.96 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 0.00 104 E 7.83 4.15 0.00 2.37 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 0.00 2.41 2.40 0.00 105 L 8.15 4.15 0.00 1.73 1.94 1.13 0.85 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 0.00 106 R 8.09 4.06 0.00 1.93 2.28 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 107 H 8.44 4.20 0.00 3.41 3.34 0.00 5.86 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 0.00 108 V 8.07 3.34 1.67 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 0.30 0.00 0.00 0.75 0.00 0.00 *110 T 7.83 4.61 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 0.00 111 N 7.69 4.37 0.00 2.58 2.86 0.00 0.00 7.09 7.75 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 0.00 112 L 7.42 4.17 0.00 1.65 1.69 0.85 0.88 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 0.00 113 G 9.36 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 0.00 0.00 0.00 114 E 8.02 4.46 0.00 2.02 1.80 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 2.28 2.36 0.00 115 K 8.71 4.18 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.13 4.72 0.00 1.63 1.58 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.38 4.11 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 1.26 0.00 0.00 118 D 8.89 4.42 0.00 2.75 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 0.00 119 E 8.25 3.95 0.00 2.08 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 2.43 0.00 120 E 8.10 4.08 0.00 2.01 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 2.35 2.26 0.00 121 V 7.90 4.22 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 1.08 0.00 0.00 0.97 0.00 0.00 122 D 7.60 4.43 0.00 2.92 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 0.00 123 Q 7.96 4.34 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 *125 I 7.76 4.11 1.90 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 1.48 1.59 0.97 0.00 0.00 126 R 7.78 3.83 0.00 2.07 2.04 0.00 3.10 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 127 E 8.04 4.06 0.00 2.00 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 2.31 2.25 0.00 128 A 7.45 4.45 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 0.00 129 D 7.87 4.83 0.00 2.85 2.71 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 0.00 0.00 0.00 130 I 8.97 4.27 1.88 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 1.35 0.91 0.91 0.00 0.00 131 D 8.40 4.47 0.00 2.80 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 0.00 132 G 8.47 3.90 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 0.00 0.00 0.00 133 D 8.27 4.64 0.00 2.79 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 0.00 134 G 8.93 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 0.00 0.00 0.00 135 Q 7.59 4.80 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 136 V 8.38 4.88 2.29 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 0.87 0.00 0.00 1.15 0.00 0.00 137 N 9.55 5.23 0.00 2.64 3.01 0.00 0.00 6.19 7.11 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 0.00 138 Y 8.16 2.92 0.00 2.11 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 0.00 139 E 8.02 3.69 0.00 2.20 1.88 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 2.36 2.38 0.00 140 E 9.88 3.93 0.00 2.16 2.31 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 2.38 2.53 0.00 141 F 8.33 4.23 0.00 3.14 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 0.00 142 V 8.02 3.56 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 0.73 0.00 0.00 -0.10 0.00 0.00 143 Q 7.76 4.18 0.00 2.33 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 *146 T 7.48 4.05 4.20 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 1.18 0.00 0.00 147 A 7.73 3.81 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 0.00 148 K 8.58 4.12 0.00 1.69 1.66 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.