NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1764 8.1801 120.5578 54.7863 43.0832 175.6488 2 A 4.7063 7.5263 122.6873 50.0388 22.3206 173.9823 3 W 5.2865 10.1049 121.5809 54.9905 33.8964 173.9025 4 L 4.8442 9.4088 124.2299 53.7730 42.9290 177.8144 5 I 3.9091 8.5945 119.1776 64.5350 37.7083 178.0423 6 S 4.1949 8.0956 115.6594 61.6065 62.9218 176.1525 7 E 4.1176 8.3292 120.8331 59.4941 29.2965 179.1269 8 F 3.9795 8.8232 120.7532 60.9660 39.3815 177.1170 9 A 3.7779 8.0136 120.5065 55.2004 18.0269 179.5791 10 S 4.0137 8.2021 111.7080 61.3401 62.2145 176.5110 11 V 3.6795 7.5302 120.1374 65.6329 31.3926 177.4353 12 G 3.5529 7.2131 101.6633 43.1398 0.0000 172.7884 13 D 4.2794 7.3891 118.8994 55.2671 39.9371 172.9419 14 V 4.4277 7.9243 117.3397 60.5269 35.4913 175.2422 15 T 4.2891 7.9424 114.7785 60.9388 71.2433 176.0220 16 V 3.6020 8.0937 120.5560 66.0900 31.6026 178.2667 17 R 3.8845 7.9329 117.2466 59.1587 29.9259 178.6795 18 A 3.7808 7.8584 120.5419 55.0675 18.3758 179.7166 19 L 3.8199 7.6686 117.3170 57.9046 41.5600 180.0017 20 R 4.0496 8.2537 118.2640 59.2244 29.8934 178.4972 21 Y 4.2394 8.1536 119.3654 61.1285 38.8148 177.5505 22 Y 4.2831 8.1512 117.7712 61.1767 37.7773 178.3885 23 D 4.6180 8.2369 120.1885 56.7808 41.1971 178.1912 24 K 4.0280 8.1621 119.4581 59.0241 32.2605 177.7784 25 I 4.1199 7.5781 110.7423 59.7511 37.8714 174.8245 26 N 4.1801 7.7093 116.8035 54.9997 37.8834 175.2832 27 L 4.0621 8.3183 119.8213 56.4107 42.2464 176.4697 28 L 4.5316 7.6945 121.6646 53.7337 43.7772 174.2490 29 K 4.7721 8.4196 125.4370 53.5903 34.4732 174.8044 30 P 3.9298 0.0000 0.0000 62.7860 31.4842 177.0603 31 S 4.3539 8.9575 119.2129 60.1584 63.4975 173.7947 32 D 4.8771 7.5638 118.8245 52.6500 44.2872 173.3534 33 Y 4.9230 8.2008 119.7158 56.1304 41.9816 175.4062 34 T 4.2985 9.1547 117.3761 61.5102 68.1667 175.7503 35 E 4.0742 8.7742 124.9398 58.6906 29.6524 178.1266 36 G 3.9231 8.0392 106.3273 45.2203 0.0000 173.7126 37 G 4.0843 8.0847 109.4945 45.4379 0.0000 174.6828 38 H 4.4581 7.9511 116.3837 55.7314 29.8904 175.4383 39 R 3.4415 8.5725 121.1660 56.0667 30.9244 176.4272 40 L 4.6365 8.2965 122.7741 53.0219 44.4737 175.2703 41 Y 4.2131 8.8780 123.0698 57.8576 39.2883 175.7980 42 T 4.8544 8.5188 119.4480 61.8580 71.5224 175.6446 43 K 4.1048 8.7920 122.7211 60.0198 31.9457 178.3186 44 D 4.1986 7.9409 118.6376 57.4750 40.8168 178.3805 45 D 4.4312 7.9007 118.8776 57.0907 40.9762 178.3459 46 L 4.0297 7.9187 121.2014 58.1818 41.9042 178.7511 47 Y 4.3689 7.5138 116.3509 61.1583 37.7941 178.3001 48 V 3.6508 7.7171 119.3747 65.8260 31.4842 177.7534 49 L 3.9484 8.0959 120.0089 58.4649 41.9913 179.0928 50 Q 3.9794 8.0113 117.5592 58.8887 28.5357 178.9706 51 Q 4.1256 8.3792 119.3867 59.0782 28.8518 178.5340 52 I 3.7664 8.0645 121.0957 64.7029 37.1747 178.5670 53 Q 4.0576 8.4019 118.8051 59.0751 28.1378 178.7389 54 S 4.0883 8.6475 116.5061 61.8212 62.8834 176.7846 55 F 4.4463 8.5570 119.8412 59.6825 38.6692 178.3528 56 K 4.1101 8.2536 118.7063 59.8394 31.7062 178.5298 57 H 3.8519 8.5640 117.4945 59.3899 29.7368 176.4190 58 L 4.1933 7.4306 117.1255 55.2789 41.7453 177.7271 59 G 3.8767 8.5758 108.2270 45.0426 0.0000 173.8871 60 F 4.4080 7.9132 118.0818 56.8635 39.7358 176.0800 61 S 4.6660 8.9974 118.7268 57.5738 65.4352 175.5079 62 L 4.0798 8.4798 122.0833 57.7507 41.4070 180.0337 63 G 3.5734 8.0469 105.1801 47.8279 0.0000 175.2948 64 E 3.9260 7.8306 120.8020 59.2708 29.5468 179.6069 65 I 3.4588 8.0655 119.9996 64.2118 37.0691 178.3336 66 Q 3.8511 8.1384 120.5947 59.1869 28.6932 177.9284 67 N 4.2499 7.6751 115.9854 56.3641 38.8556 177.1768 68 I 3.6502 7.5212 120.8688 64.4407 37.0510 178.3405 69 I 3.9020 7.7268 118.0819 62.7461 37.0047 177.3210 70 L 4.5311 7.3584 118.9726 53.9040 41.9153 176.1889 71 Q 4.4464 7.4023 117.2251 54.2475 30.5048 175.2213 72 R 4.0559 8.8076 123.0060 58.5611 30.2741 176.1970 73 D 4.7935 7.6347 113.8135 51.5892 42.5190 174.2685 74 I 4.5043 7.7544 120.0925 58.8872 40.4348 175.7349 75 E 4.0416 8.6723 123.1144 56.6148 30.2943 177.5522 76 T 3.9290 8.5746 124.1880 66.8844 68.7325 175.3131 77 E 3.9570 8.6477 121.0005 59.6330 29.6701 179.2241 78 V 3.6600 7.7929 117.5739 65.6446 31.4236 177.4594 79 F 4.1383 8.3567 119.9794 61.5051 39.4060 176.7588 80 L 4.1345 8.0998 117.1685 57.6651 41.6714 179.1829 81 R 4.1626 7.8861 118.4578 59.5461 30.1094 179.9676 82 Q 3.9698 7.9887 115.9231 56.5584 28.7457 177.8311 *84 H 4.6443 8.1871 121.9637 56.2791 32.0189 175.0022 85 F 4.1046 8.4397 120.9167 61.4502 39.3640 176.8859 86 Q 3.8696 8.2182 118.9470 59.2025 28.8342 178.2970 87 R 3.8442 7.4946 118.4094 59.1199 29.9350 178.4737 88 E 3.7981 7.8026 118.7524 59.1140 29.4467 179.1171 89 V 3.3778 7.3686 117.7673 66.1304 31.4592 177.9503 90 L 3.9366 7.6485 118.1581 57.7058 41.4099 179.5192 91 L 3.9520 7.6994 118.3590 57.2959 41.4133 179.3923 92 A 3.8996 8.1985 121.2547 55.1643 18.3216 179.4283 93 E 3.8364 8.1198 117.0687 59.5791 29.4195 179.2362 94 Q 3.9300 8.1045 119.4830 59.5061 28.9437 178.5649 95 E 3.9474 8.1767 119.3693 59.1577 29.4365 179.3493 96 R 3.8734 8.1953 118.9382 59.6712 30.2635 178.6384 97 I 3.7200 8.1432 119.6693 64.3142 36.9983 178.3394 98 A 4.0016 7.7018 121.8046 54.9159 18.1958 179.8678 99 K 3.7801 7.7605 117.1918 59.4240 31.9112 179.5562 100 V 3.5851 7.4077 117.2035 66.1207 31.4944 177.6033 101 L 4.1413 7.6195 117.0061 57.9120 41.8560 179.0558 102 S 4.3759 7.9705 112.8284 61.7727 62.0452 177.1400 103 H 4.8416 8.3236 115.2761 56.6356 28.7758 176.1595 *105 D 4.6527 8.0949 123.0433 54.6097 42.7584 177.6388 106 E 3.7577 7.7322 115.5760 57.2660 29.1214 178.1937 *108 T 4.3484 7.9982 115.6973 63.1562 70.3582 176.1959 109 K 3.9423 7.8059 120.2113 59.2075 32.1011 178.8392 110 K 3.7864 7.7610 118.0618 59.0512 32.2577 178.5821 111 F 4.5108 7.9131 115.0194 57.0386 39.0649 177.0675 112 Q 3.9224 7.6391 121.0285 58.9031 28.8112 177.7852 113 K 4.4809 7.9355 113.4535 55.9694 32.4538 175.4100 114 E 4.6815 7.9430 119.1491 54.5773 31.1680 176.1203 115 E 4.1399 8.7880 123.2307 58.2808 30.1470 177.1330 116 R 4.6332 7.7376 115.3276 54.0652 33.6393 174.5272 117 V 4.1321 8.1167 120.7113 61.1420 32.7465 175.2420 118 N 4.5936 8.7319 126.1708 52.6536 39.8208 174.8281 119 V 3.5002 8.5576 127.6108 66.5181 31.6082 177.7330 120 A 4.0623 8.0924 119.5752 54.9862 18.2621 179.2448 121 L 4.0623 8.4166 119.0008 58.1801 42.1730 178.7465 122 F 4.3651 8.8798 121.1090 61.6832 39.3500 176.8098 123 S 4.1656 8.5202 112.6165 61.7664 62.0210 176.4478 124 S 4.1104 8.0670 117.1293 61.6499 62.5450 176.7113 125 F 4.0228 8.3054 120.5386 60.2843 38.5506 177.5402 126 L 3.9419 8.1338 120.2486 58.3275 41.9404 179.1067 127 Q 4.0431 8.2021 117.9888 59.3262 28.5839 178.9044 128 T 3.9877 8.2289 117.0118 66.3955 68.4848 176.6719 129 F 4.2522 8.5619 122.7332 61.3895 39.2941 177.2231 130 I 3.4930 7.8969 118.4640 64.1796 37.3203 177.9782 131 W 4.1018 8.3422 129.0746 60.3668 30.3513 177.5370 132 E 3.9793 8.6569 118.9938 58.1080 29.6272 177.9282 133 K 4.3280 7.4252 118.5686 56.3592 32.6023 175.8837 134 E 3.9864 7.3930 124.4978 57.1754 29.5048 174.8696 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 1 L 8.18 4.18 0.00 1.43 0.99 0.99 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.53 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 10.10 5.29 0.00 3.28 3.17 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 4 L 9.41 4.84 0.00 1.68 1.67 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.59 3.91 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 1.01 0.00 0.00 6 S 8.10 4.19 0.00 3.97 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 7 E 8.33 4.12 0.00 2.42 2.28 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 2.50 2.51 0.00 8 F 8.82 3.98 0.00 3.24 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 9 A 8.01 3.78 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 10 S 8.20 4.01 0.00 3.92 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 11 V 7.53 3.68 1.77 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 0.68 0.00 0.00 1.18 0.00 0.00 12 G 7.21 3.55 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 0.00 0.00 0.00 13 D 7.39 4.28 0.00 2.67 2.61 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 0.00 0.00 0.00 0.00 14 V 7.92 4.43 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 0.72 0.00 0.00 0.92 0.00 0.00 15 T 7.94 4.29 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 1.17 0.00 0.00 16 V 8.09 3.60 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 1.10 0.00 0.00 0.95 0.00 0.00 17 R 7.93 3.88 0.00 1.83 1.91 0.00 3.14 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 18 A 7.86 3.78 1.02 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 0.00 0.00 19 L 7.67 3.82 0.00 1.89 1.80 0.83 0.87 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 20 R 8.25 4.05 0.00 2.07 2.05 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 21 Y 8.15 4.24 0.00 3.06 3.09 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 22 Y 8.15 4.28 0.00 3.19 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 23 D 8.24 4.62 0.00 3.10 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 24 K 8.16 4.03 0.00 1.95 2.04 0.00 1.94 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 25 I 7.58 4.12 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.60 0.00 0.00 26 N 7.71 4.18 0.00 2.81 2.88 0.00 0.00 7.00 8.76 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 27 L 8.32 4.06 0.00 1.45 1.63 0.78 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.69 4.53 0.00 1.75 1.66 1.06 0.78 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 29 K 8.42 4.77 0.00 1.81 1.75 0.00 1.95 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 30 P 0.00 3.93 0.00 0.96 0.52 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 31 S 8.96 4.35 0.00 3.85 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 32 D 7.56 4.88 0.00 2.59 2.47 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 33 Y 8.20 4.92 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 9.15 4.30 4.49 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 1.39 0.00 0.00 35 E 8.77 4.07 0.00 2.01 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 2.32 2.26 0.00 36 G 8.04 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.08 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 0.00 0.00 0.00 38 H 7.95 4.46 0.00 3.13 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.57 3.44 0.00 1.41 0.98 0.00 3.22 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 40 L 8.30 4.64 0.00 1.39 1.43 0.91 0.81 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 41 Y 8.88 4.21 0.00 2.28 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 42 T 8.52 4.85 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 1.26 0.00 0.00 43 K 8.79 4.10 0.00 1.89 1.74 0.00 1.81 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.12 1.66 7.81 44 D 7.94 4.20 0.00 2.72 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 45 D 7.90 4.43 0.00 2.88 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 46 L 7.92 4.03 0.00 1.38 1.56 0.36 0.84 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 47 Y 7.51 4.37 0.00 3.21 2.92 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 0.00 0.00 0.00 48 V 7.72 3.65 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 1.12 0.00 0.00 1.06 0.00 0.00 49 L 8.10 3.95 0.00 1.91 1.73 0.86 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.01 3.98 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 51 Q 8.38 4.13 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 52 I 8.06 3.77 2.05 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.76 0.00 0.00 53 Q 8.40 4.06 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 54 S 8.65 4.09 0.00 3.85 3.65 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 0.00 0.00 0.00 0.00 55 F 8.56 4.45 0.00 3.26 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 56 K 8.25 4.11 0.00 2.14 1.94 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.74 7.81 57 H 8.56 3.85 0.00 3.09 3.64 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.43 4.19 0.00 2.09 1.71 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.58 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 60 F 7.91 4.41 0.00 3.43 3.05 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 61 S 9.00 4.67 0.00 4.13 4.07 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 0.00 0.00 0.00 62 L 8.48 4.08 0.00 1.74 1.72 1.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.05 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 64 E 7.83 3.93 0.00 2.34 2.00 0.00 0.00 0.00 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 2.43 0.00 65 I 8.07 3.46 1.97 0.00 0.00 1.00 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 0.86 0.00 0.00 66 Q 8.14 3.85 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 67 N 7.68 4.25 0.00 2.82 2.79 0.00 0.00 7.13 7.26 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 68 I 7.52 3.65 1.46 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.26 0.19 0.00 0.00 69 I 7.73 3.90 1.80 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.46 0.97 0.00 0.00 70 L 7.36 4.53 0.00 1.75 1.67 0.90 1.08 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 71 Q 7.40 4.45 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.24 0.00 72 R 8.81 4.06 0.00 1.78 2.05 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 73 D 7.63 4.79 0.00 2.64 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 74 I 7.75 4.50 1.93 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 1.44 0.66 1.02 0.00 0.00 75 E 8.67 4.04 0.00 2.01 1.87 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 2.38 2.35 0.00 76 T 8.57 3.93 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 1.27 0.00 0.00 77 E 8.65 3.96 0.00 2.05 2.37 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 2.34 2.49 0.00 78 V 7.79 3.66 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 0.99 0.00 0.00 0.99 0.00 0.00 79 F 8.36 4.14 0.00 3.02 3.30 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 80 L 8.10 4.13 0.00 1.75 1.80 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.89 4.16 0.00 2.04 2.16 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 82 Q 7.99 3.97 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.16 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 *84 H 8.19 4.64 0.00 3.28 3.58 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.44 4.10 0.00 3.24 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 86 Q 8.22 3.87 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 1.28 2.06 0.00 87 R 7.49 3.84 0.00 1.94 2.00 0.00 3.14 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 88 E 7.80 3.80 0.00 1.88 1.71 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 2.20 2.27 0.00 89 V 7.37 3.38 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 0.97 0.00 0.00 0.63 0.00 0.00 90 L 7.65 3.94 0.00 1.85 1.61 0.80 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.70 3.95 0.00 1.77 1.65 0.86 0.71 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 92 A 8.20 3.90 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 93 E 8.12 3.84 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 2.29 2.43 0.00 94 Q 8.10 3.93 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 95 E 8.18 3.95 0.00 2.17 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 2.29 2.58 0.00 96 R 8.20 3.87 0.00 1.85 2.12 0.00 3.10 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 97 I 8.14 3.72 1.99 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 1.45 0.65 0.90 0.00 0.00 98 A 7.70 4.00 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 99 K 7.76 3.78 0.00 1.85 1.68 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.59 7.81 100 V 7.41 3.59 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 0.88 0.00 0.00 1.00 0.00 0.00 101 L 7.62 4.14 0.00 1.83 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.97 4.38 0.00 3.99 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 0.00 103 H 8.32 4.84 0.00 3.39 3.43 0.00 5.76 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 D 8.09 4.65 0.00 2.91 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 0.00 106 E 7.73 3.76 0.00 1.21 1.28 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 1.47 1.65 0.00 *108 T 8.00 4.35 4.40 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 1.25 0.00 0.00 109 K 7.81 3.94 0.00 1.78 1.94 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 110 K 7.76 3.79 0.00 1.70 1.15 0.00 0.61 0.00 0.00 1.11 0.00 0.00 2.73 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.06 0.79 7.81 111 F 7.91 4.51 0.00 3.16 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 0.00 112 Q 7.64 3.92 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 113 K 7.94 4.48 0.00 1.73 1.78 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.40 7.81 114 E 7.94 4.68 0.00 2.17 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 2.23 2.36 0.00 115 E 8.79 4.14 0.00 1.92 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 2.29 2.39 0.00 116 R 7.74 4.63 0.00 1.81 1.77 0.00 3.39 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 117 V 8.12 4.13 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 -0.17 0.00 0.00 0.67 0.00 0.00 118 N 8.73 4.59 0.00 2.90 2.85 0.00 0.00 6.78 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 0.00 119 V 8.56 3.50 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 1.00 0.00 0.00 0.86 0.00 0.00 120 A 8.09 4.06 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 0.00 121 L 8.42 4.06 0.00 1.99 2.14 1.18 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.88 4.37 0.00 2.85 3.17 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 0.00 123 S 8.52 4.17 0.00 4.14 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 0.00 124 S 8.07 4.11 0.00 4.04 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.31 4.02 0.00 3.34 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 0.00 126 L 8.13 3.94 0.00 1.36 1.69 0.94 1.17 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 0.00 127 Q 8.20 4.04 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 128 T 8.23 3.99 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 1.27 0.00 0.00 129 F 8.56 4.25 0.00 3.28 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 0.00 130 I 7.90 3.49 1.89 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 0.88 0.83 0.91 0.00 0.00 131 W 8.34 4.10 0.00 3.45 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 0.00 132 E 8.66 3.98 0.00 2.46 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 2.36 2.46 0.00 133 K 7.43 4.33 0.00 1.72 1.47 0.00 1.00 0.00 0.00 1.27 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.88 1.11 7.81 134 E 7.39 3.99 0.00 1.60 1.22 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 1.98 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.