NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 3.8156 8.1233 122.3913 51.8239 20.7729 175.2528 3 Y 4.5982 7.2639 115.9113 55.8313 41.5197 173.3800 4 W 5.4417 8.9502 120.8140 56.1369 35.0496 172.4264 5 L 5.6848 8.3344 120.9727 53.8198 45.6594 174.5358 *7 K 4.7840 8.3966 119.2250 56.7949 33.4064 175.7874 8 S 4.6608 9.0239 116.2339 57.2194 66.6772 173.2246 9 E 5.1813 9.1721 126.8631 54.9106 29.0425 175.9513 10 P 4.3653 0.0000 0.0000 66.2519 30.9261 178.2207 11 D 4.4718 8.0619 116.8194 56.1426 40.7945 177.3952 12 E 4.5356 7.2928 119.5334 56.7266 30.3003 176.1548 13 F 4.9088 8.3425 121.7545 56.5546 42.0023 173.6522 14 S 4.6452 8.7694 123.8434 56.2707 66.6518 174.7443 15 I 2.6190 7.4563 120.5009 63.6755 37.5114 177.8638 16 S 3.9785 7.6708 115.8841 61.4254 62.6248 176.0822 17 D 4.3477 7.6403 121.2862 57.2116 40.4709 178.5703 18 L 4.2348 7.5546 120.8107 58.1508 41.8985 178.7383 19 Q 2.6343 7.7843 118.7857 58.5810 28.8781 178.0997 20 R 3.9267 7.5957 118.5799 59.5779 30.3213 178.3631 21 L 4.1880 8.1381 117.7903 55.7171 41.7875 177.9199 22 G 4.5009 9.6268 112.5838 44.7310 0.0000 173.0599 23 K 5.3262 7.5490 116.6183 55.2551 35.9689 174.3808 24 A 4.6588 9.1849 122.5618 51.4622 23.5314 174.5862 25 R 4.8842 8.4193 119.4339 54.9976 31.8305 175.1911 26 W 4.4537 9.4424 135.0000 56.0061 30.8566 174.6345 27 D 4.8011 7.3759 126.8049 52.9106 41.7504 176.3874 28 G 2.4137 8.2358 109.0949 45.9520 0.0000 173.5627 29 V 3.6907 6.6782 118.7968 61.9219 31.5570 176.4307 30 R 2.5201 7.8282 128.6975 54.9494 31.1800 175.5018 31 N 4.9257 7.6285 114.7590 51.3636 42.4863 172.9623 32 Y 4.3963 8.6517 125.3426 61.3352 38.1329 178.5104 33 Q 3.9132 8.3845 119.8251 59.0833 29.1974 177.9771 34 A 4.1994 8.7806 122.1927 55.1360 18.3752 179.5337 35 R 3.8741 8.5958 117.6768 59.7765 29.9905 178.4841 36 N 4.2887 8.3360 115.3767 56.2955 38.7747 177.1503 37 F 4.4980 8.0246 119.1186 60.5193 38.8285 177.2854 38 L 3.5373 7.8957 118.9253 58.3061 41.8833 179.1334 39 R 4.1149 8.0303 116.8229 57.6936 31.0598 178.0553 40 T 4.1802 7.2914 110.6202 59.2150 67.6409 173.6821 *42 A 4.1095 7.2116 131.5997 52.0912 20.2070 176.2336 43 E 4.3826 8.5198 119.2307 58.1530 29.8721 177.4316 44 G 4.0571 9.0209 112.4300 45.3407 0.0000 173.8129 45 D 4.5609 8.0413 119.2495 54.7120 42.1714 175.5923 46 E 5.3802 8.4504 120.0877 54.7974 33.2475 175.0052 47 F 5.6285 8.8041 115.7931 55.5337 41.6015 173.4004 48 F 5.0359 9.5322 120.2930 57.2798 40.5046 174.6891 49 F 4.8740 9.3366 127.2923 57.6780 40.2190 173.4140 50 Y 5.1211 8.8347 128.5549 56.4705 40.8116 173.8797 51 H 5.3972 8.9348 125.4886 55.4691 30.1521 174.7902 52 S 5.0132 9.0389 118.2142 56.1210 66.2662 173.7488 53 S 3.8540 8.5680 114.6259 59.0572 59.1195 170.2042 54 C 4.7454 7.1265 114.6047 56.1418 32.8669 173.8527 55 P 4.4090 0.0000 0.0000 65.0880 31.1967 176.3066 56 E 4.6164 7.2659 115.7100 53.1867 29.5415 172.8432 57 P 4.3529 0.0000 0.0000 61.6098 32.7051 177.5803 58 G 4.3469 6.6073 107.9353 43.9264 0.0000 171.5550 59 I 4.2237 7.9732 121.2989 61.2673 37.1751 176.9619 60 A 4.2826 8.8305 128.5094 51.4582 20.4019 176.3520 61 G 3.4153 6.1183 101.4627 45.3197 0.0000 171.4214 62 I 4.9186 7.5759 119.4524 59.4936 41.3853 175.1466 63 G 4.0344 8.2197 112.2228 44.1073 0.0000 170.9907 64 K 5.3327 9.0531 117.8067 55.0886 36.7500 175.4381 65 I 4.5026 8.8008 122.7476 61.0400 37.6945 176.9078 66 V 4.1534 8.8230 120.6091 61.8908 33.8041 176.5380 67 K 4.7312 7.8220 121.4619 54.5864 35.4150 176.1780 68 T 4.5437 8.7588 117.3142 60.8977 70.0338 173.5737 69 A 4.3197 8.4669 123.2630 53.2535 18.7664 176.4683 70 Y 4.9361 8.5371 118.6219 54.4640 42.3013 172.6008 71 P 4.6805 0.0000 0.0000 63.3670 32.3583 175.5842 72 D 4.4937 9.0970 125.0706 53.4757 41.3096 175.1331 73 P 4.4307 0.0000 0.0000 65.9975 31.2384 178.3213 74 T 3.9628 8.4169 109.5107 64.4653 68.5738 176.3846 75 A 4.3983 8.0090 124.7007 53.9197 18.1728 178.4417 76 L 4.8189 7.5723 114.9543 53.9193 42.3396 176.0691 77 D 4.6928 7.7351 120.6800 51.8061 40.9088 174.9568 78 P 3.6555 0.0000 0.0000 65.1988 31.4121 177.4750 79 D 4.4777 8.1321 115.9496 54.9492 41.5574 176.5314 80 S 4.3839 7.9663 115.5390 57.5144 63.1230 174.5874 81 H 4.2197 8.3602 122.9165 57.9895 28.3737 175.7318 82 Y 4.6742 7.5866 117.1896 57.6448 38.0752 175.0086 83 H 4.4482 7.8377 119.6394 56.5329 30.4464 174.8086 84 D 4.5287 8.8668 124.1790 52.0070 42.1256 175.7186 85 A 3.9865 8.4141 130.0583 54.6755 18.5123 178.5761 86 K 4.1420 8.1740 113.7044 57.8562 32.5220 177.2888 87 A 4.5840 7.9534 122.7332 51.5224 19.4506 176.4794 88 T 4.8242 8.3795 110.7092 59.4905 72.1136 174.3598 89 T 3.9986 8.6031 112.0823 64.6475 68.6687 175.1297 90 E 4.2920 8.0365 119.2558 57.0634 30.2781 176.5005 91 K 4.3462 7.9763 119.8469 54.0511 32.4705 172.0162 92 N 5.0849 8.1776 119.6682 50.6931 40.0239 172.8356 93 P 4.1917 0.0000 0.0000 63.3618 31.9725 176.1475 94 W 5.2111 8.1838 118.7448 54.9665 32.2621 174.9891 95 S 5.1773 8.8561 116.9018 56.8508 66.1383 172.9161 96 A 4.8572 8.4944 124.5259 50.2819 22.9335 174.3060 97 L 4.5060 8.1500 117.0847 55.3271 44.3748 173.8090 98 D 5.6072 8.8361 119.4080 52.8806 43.0589 175.9862 99 I 5.2655 9.2659 115.9715 59.2039 41.4898 174.3370 100 G 4.6984 9.4819 109.2496 44.1922 0.0000 171.7754 101 F 4.7415 9.1429 123.9344 58.4120 39.6757 174.0769 102 V 4.0457 7.2548 123.1423 63.7982 33.3271 174.5800 103 D 4.3741 7.0457 117.6878 52.9959 45.1287 173.2113 104 I 4.8082 8.3419 122.6716 59.1377 40.6769 174.8130 105 F 4.7894 8.7171 128.3210 57.0555 39.1275 176.1140 106 K 4.1303 8.9152 123.7114 58.6079 32.4437 176.9608 107 N 4.9977 7.7869 114.8894 50.8321 41.6563 174.1161 108 V 3.9302 8.3788 123.1704 63.1395 32.8153 175.8755 109 L 4.5095 9.0424 128.2287 53.2022 41.9692 176.3574 110 G 4.3683 8.6870 111.6113 46.0191 0.0000 172.2364 111 L 4.3102 8.9885 123.8453 58.1560 41.9613 179.7653 112 G 3.7141 8.1261 103.8070 48.0317 0.0000 174.4970 113 Y 4.4735 8.0284 121.3479 60.5912 38.9168 177.9013 114 L 3.8128 8.1768 119.9828 57.5157 41.4985 179.4291 115 K 4.1444 8.0201 117.1727 58.5883 32.0610 178.4053 116 Q 4.3979 7.5226 116.2780 55.5112 29.1908 175.5040 117 Q 4.3141 7.4770 121.5472 54.2065 29.5548 176.8103 118 S 4.1515 8.6271 118.9335 61.3607 63.2045 176.3424 119 Q 4.1357 8.0158 118.0960 57.5760 28.7350 176.5207 120 L 4.6499 7.6752 117.4456 54.3204 42.0833 178.0828 121 E 3.9254 7.9634 120.3924 59.2225 29.3688 177.9404 122 Q 4.3243 7.8765 114.9293 55.5639 29.4719 175.0858 123 L 4.2303 7.9255 122.6812 53.6663 42.8325 175.5047 124 P 4.5345 0.0000 0.0000 64.8563 31.5933 177.9585 125 L 3.7892 8.0238 118.5441 57.8456 41.8118 177.8145 126 V 4.1818 7.6421 108.5609 61.0289 31.8498 175.3806 127 Q 4.3915 7.9319 121.3082 53.9851 29.5874 175.3327 128 K 3.8150 8.5459 124.2722 58.1199 32.5576 176.9357 129 G 3.9599 8.9115 113.3742 45.3785 0.0000 173.2400 130 S 4.4309 7.7174 114.9984 58.1199 62.8518 173.8701 131 R 4.6850 8.3161 125.9495 55.7520 31.4112 174.6195 132 L 4.3285 7.6034 119.9950 54.6350 42.5032 176.6740 133 S 4.5592 8.6666 119.9114 58.7598 64.1188 174.1478 134 V 4.8454 7.6171 118.9808 59.0726 34.4190 172.2771 *136 P 3.8628 0.0000 0.0000 62.5552 32.4869 175.6969 137 V 4.6597 7.8289 120.1712 61.2655 34.1435 175.5143 138 T 4.1981 9.2672 118.2585 61.1747 70.0214 175.5310 139 A 4.1715 8.7523 123.8741 55.4634 18.3637 179.9405 140 E 3.9778 8.1378 116.6670 59.6975 29.6661 179.4127 141 Q 4.0369 8.2929 118.1677 58.4776 28.7508 178.4944 142 W 4.1176 8.6056 129.5399 60.5386 30.7483 177.8965 143 A 4.0286 8.2999 120.4657 55.0872 17.5572 179.4496 144 A 3.9103 7.8653 118.4278 55.3929 18.7765 179.6784 145 I 3.6044 7.8011 118.3243 64.3023 37.2105 178.6389 146 L 3.8028 7.8969 119.7000 57.6949 41.4608 179.4724 147 A 3.9936 8.0320 120.6219 54.9554 18.0308 179.6583 148 L 3.9914 7.3443 116.3563 57.4804 41.6114 179.5247 149 R 3.7957 7.1981 117.2800 59.0694 30.1077 176.6126 150 L 4.0802 7.0916 120.6122 55.1281 41.6137 177.0323 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 2 A 8.12 3.82 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 Y 7.26 4.60 0.00 2.89 2.30 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 4 W 8.95 5.44 0.00 3.28 3.06 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 5 L 8.33 5.68 0.00 1.97 1.61 1.08 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *7 K 8.40 4.78 0.00 1.86 2.02 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.63 7.81 8 S 9.02 4.66 0.00 3.67 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 9 E 9.17 5.18 0.00 2.02 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 2.62 2.21 0.00 10 P 0.00 4.37 0.00 2.10 1.79 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 11 D 8.06 4.47 0.00 2.67 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 12 E 7.29 4.54 0.00 2.19 2.19 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 2.33 2.35 0.00 13 F 8.34 4.91 0.00 2.79 2.86 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 14 S 8.77 4.65 0.00 3.86 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 15 I 7.46 2.62 0.97 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 1.42 1.15 0.65 0.00 0.00 16 S 7.67 3.98 0.00 3.79 3.80 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 17 D 7.64 4.35 0.00 2.62 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 18 L 7.55 4.23 0.00 1.96 1.92 1.41 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.78 2.63 0.00 1.28 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 20 R 7.60 3.93 0.00 1.80 2.09 0.00 3.32 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 21 L 8.14 4.19 0.00 1.82 2.02 1.16 0.92 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 22 G 9.63 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.55 5.33 0.00 1.97 1.85 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.54 7.81 24 A 9.18 4.66 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 25 R 8.42 4.88 0.00 1.92 1.82 0.00 3.34 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 26 W 9.44 4.45 0.00 3.39 2.77 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 27 D 7.38 4.80 0.00 3.00 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 28 G 8.24 2.41 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 0.00 29 V 6.68 3.69 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 0.74 0.00 0.00 0.95 0.00 0.00 30 R 7.83 2.52 0.00 1.32 1.05 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.12 0.00 31 N 7.63 4.93 0.00 2.65 2.59 0.00 0.00 7.07 7.56 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 32 Y 8.65 4.40 0.00 3.14 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 33 Q 8.38 3.91 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 34 A 8.78 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 35 R 8.60 3.87 0.00 2.21 2.32 0.00 3.20 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 1.70 1.85 0.00 36 N 8.34 4.29 0.00 2.68 2.71 0.00 0.00 7.12 7.04 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 37 F 8.02 4.50 0.00 3.29 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 38 L 7.90 3.54 0.00 1.60 1.83 0.81 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.03 4.11 0.00 1.94 1.94 0.00 3.19 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 40 T 7.29 4.18 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 1.28 0.00 0.00 *42 A 7.21 4.11 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 43 E 8.52 4.38 0.00 1.98 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 2.34 2.33 0.00 44 G 9.02 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 45 D 8.04 4.56 0.00 2.83 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 46 E 8.45 5.38 0.00 1.55 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 2.21 2.31 0.00 47 F 8.80 5.63 0.00 3.18 3.16 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 0.00 0.00 0.00 48 F 9.53 5.04 0.00 3.17 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 49 F 9.34 4.87 0.00 3.11 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 50 Y 8.83 5.12 0.00 3.22 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 51 H 8.93 5.40 0.00 3.07 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.04 5.01 0.00 4.07 4.34 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 53 S 8.57 3.85 0.00 4.02 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 54 C 7.13 4.75 0.00 3.04 2.99 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 55 P 0.00 4.41 0.00 2.19 2.23 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 56 E 7.27 4.62 0.00 1.88 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 0.00 2.18 2.19 0.00 57 P 0.00 4.35 0.00 2.29 2.17 0.00 3.90 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 58 G 6.61 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 4.22 1.83 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.61 0.00 0.00 60 A 8.83 4.28 0.82 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 61 G 6.12 3.42 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 0.00 62 I 7.58 4.92 1.77 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 0.99 0.00 0.00 63 G 8.22 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 0.00 0.00 0.00 64 K 9.05 5.33 0.00 1.90 1.87 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.48 7.81 65 I 8.80 4.50 2.06 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.88 0.00 0.00 66 V 8.82 4.15 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 0.75 0.00 0.00 1.10 0.00 0.00 67 K 7.82 4.73 0.00 1.84 1.81 0.00 1.69 0.00 0.00 2.06 0.00 0.00 2.64 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.47 7.81 68 T 8.76 4.54 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 69 A 8.47 4.32 1.18 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 70 Y 8.54 4.94 0.00 3.01 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 71 P 0.00 4.68 0.00 2.06 2.13 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 72 D 9.10 4.49 0.00 2.67 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 73 P 0.00 4.43 0.00 2.36 2.39 0.00 3.82 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 74 T 8.42 3.96 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 75 A 8.01 4.40 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.57 4.82 0.00 1.63 1.76 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.74 4.69 0.00 2.78 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 78 P 0.00 3.66 0.00 1.98 1.95 0.00 3.66 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 1.97 1.96 0.00 79 D 8.13 4.48 0.00 2.79 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 80 S 7.97 4.38 0.00 3.83 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 81 H 8.36 4.22 0.00 2.45 2.73 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.59 4.67 0.00 2.97 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 83 H 7.84 4.45 0.00 3.41 3.21 0.00 5.71 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 84 D 8.87 4.53 0.00 2.81 2.67 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 85 A 8.41 3.99 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 86 K 8.17 4.14 0.00 2.01 1.90 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.42 7.81 87 A 7.95 4.58 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 88 T 8.38 4.82 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 1.22 0.00 0.00 89 T 8.60 4.00 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 1.23 0.00 0.00 90 E 8.04 4.29 0.00 1.98 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 2.28 2.29 0.00 91 K 7.98 4.35 0.00 1.76 1.60 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.35 7.81 92 N 8.18 5.08 0.00 2.85 2.71 0.00 0.00 7.32 7.69 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 93 P 0.00 4.19 0.00 0.93 1.66 0.00 3.46 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 1.81 1.92 0.00 94 W 8.18 5.21 0.00 3.29 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 95 S 8.86 5.18 0.00 3.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.15 4.51 0.00 1.99 1.59 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.84 5.61 0.00 2.79 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 99 I 9.27 5.27 2.43 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.86 0.00 0.00 100 G 9.48 4.70 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 0.00 0.00 0.00 101 F 9.14 4.74 0.00 3.30 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 0.00 102 V 7.25 4.05 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 0.78 0.00 0.00 0.85 0.00 0.00 103 D 7.05 4.37 0.00 2.73 2.40 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 0.00 104 I 8.34 4.81 2.17 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 1.39 1.03 1.09 0.00 0.00 105 F 8.72 4.79 0.00 2.95 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 0.00 106 K 8.92 4.13 0.00 1.73 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.46 7.81 107 N 7.79 5.00 0.00 2.65 2.63 0.00 0.00 6.84 7.68 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 0.00 108 V 8.38 3.93 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 0.78 0.00 0.00 0.89 0.00 0.00 109 L 9.04 4.51 0.00 1.68 1.69 0.77 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.69 4.37 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 0.00 111 L 8.99 4.31 0.00 1.99 1.80 1.02 1.10 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 0.00 112 G 8.13 3.71 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 0.00 0.00 0.00 113 Y 8.03 4.47 0.00 2.97 3.18 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 0.00 114 L 8.18 3.81 0.00 1.89 1.64 1.03 0.45 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 0.00 115 K 8.02 4.14 0.00 1.93 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.70 7.81 116 Q 7.52 4.40 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 117 Q 7.48 4.31 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 118 S 8.63 4.15 0.00 3.98 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 0.00 119 Q 8.02 4.14 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.20 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 120 L 7.68 4.65 0.00 1.75 1.60 0.85 0.89 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 0.00 121 E 7.96 3.93 0.00 1.99 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 2.37 0.00 122 Q 7.88 4.32 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 123 L 7.93 4.23 0.00 1.74 1.65 0.99 0.89 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 0.00 124 P 0.00 4.53 0.00 2.21 2.14 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 125 L 8.02 3.79 0.00 1.47 1.66 0.25 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.64 4.18 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 0.73 0.00 0.00 1.07 0.00 0.00 127 Q 7.93 4.39 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 128 K 8.55 3.81 0.00 1.72 1.74 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 129 G 8.91 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 0.00 130 S 7.72 4.43 0.00 3.91 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 0.00 131 R 8.32 4.69 0.00 1.81 1.87 0.00 3.28 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 132 L 7.60 4.33 0.00 1.78 1.62 1.23 1.09 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 0.00 133 S 8.67 4.56 0.00 4.07 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 0.00 134 V 7.62 4.85 2.27 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 0.92 0.00 0.00 0.88 0.00 0.00 *136 P 0.00 3.86 0.00 1.72 1.54 0.00 3.13 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 137 V 7.83 4.66 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 1.14 0.00 0.00 1.17 0.00 0.00 138 T 9.27 4.20 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 1.22 0.00 0.00 139 A 8.75 4.17 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 0.00 140 E 8.14 3.98 0.00 2.09 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 2.41 2.48 0.00 141 Q 8.29 4.04 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 142 W 8.61 4.12 0.00 3.16 2.83 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 0.00 143 A 8.30 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.87 3.91 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 0.00 145 I 7.80 3.60 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.06 0.00 0.00 146 L 7.90 3.80 0.00 1.77 1.64 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.03 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.34 3.99 0.00 1.70 1.72 0.49 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.20 3.80 0.00 1.67 1.61 0.00 2.40 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.42 0.00 150 L 7.09 4.08 0.00 1.85 1.55 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.