NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3811 8.4449 118.8053 56.2868 31.7725 177.0091 4 L 3.8548 8.1315 118.6557 56.2181 41.8065 175.5012 5 I 4.1399 7.5500 119.7079 59.7473 38.8789 174.7082 6 T 4.7010 8.0317 115.6830 59.3521 71.3788 173.9085 7 E 4.2755 8.8015 120.9839 58.6069 29.7902 175.9242 8 N 5.5242 8.0487 114.6859 51.6982 41.5778 174.0708 9 M 4.9786 9.2776 121.9377 54.1407 37.0935 174.1272 10 H 5.3715 8.3614 115.4495 54.8778 32.0675 173.8618 11 M 5.1861 9.0153 118.8039 53.7494 36.4860 174.7580 12 K 5.1638 8.8207 120.3934 54.7397 36.8829 175.1678 13 L 5.4496 9.1382 124.8739 53.6031 46.2710 174.2420 14 Y 5.1740 9.1578 125.3019 56.0500 42.1066 173.7670 15 M 5.0754 8.4735 125.6254 53.7220 36.1450 173.4206 16 E 4.4990 8.5717 125.2442 54.5591 33.8569 175.1241 17 G 3.9801 6.6483 109.3629 46.6743 0.0000 171.5797 18 T 5.4781 8.0102 113.9595 60.4410 71.5131 174.6828 19 V 4.6186 8.6150 126.0857 62.4676 34.3508 175.3412 20 N 4.1876 9.7902 125.9916 54.6476 36.5449 174.7877 21 N 4.3028 8.2639 110.8155 53.8651 36.9549 174.0044 22 H 4.7180 8.2591 120.1132 54.9898 30.5016 173.7703 23 H 5.1731 8.6011 127.3598 56.4334 31.3571 173.6150 24 F 5.1912 8.0097 117.2746 56.1635 41.6368 172.8591 25 K 4.9210 9.1153 118.3229 54.9854 36.4795 175.3635 26 C 5.6431 9.1225 120.7837 58.2524 32.5708 173.1215 27 T 5.3914 8.8263 111.0220 60.3467 72.0985 172.7581 28 S 5.2120 9.1408 116.2281 57.4426 67.2339 172.4938 29 E 5.1213 9.0268 119.2826 55.1557 33.7418 175.4373 30 G 4.7028 8.9892 108.4152 47.0863 0.0000 171.3334 31 E 5.1266 8.2670 116.1496 55.7225 33.4279 174.5777 32 G 4.3422 8.7312 106.0169 46.1802 0.0000 172.4056 33 K 5.3833 9.0324 119.3544 52.6622 33.1417 175.1358 34 P 3.9451 0.0000 0.0000 65.3554 31.3404 177.7662 35 Y 4.3154 7.7799 113.7665 59.5717 38.2678 176.0202 36 E 4.2787 8.3837 117.2809 56.1463 30.2733 176.7585 37 G 4.0961 8.3162 107.4069 45.9990 0.0000 172.7913 38 T 5.2643 7.5282 108.8699 59.8149 71.9379 172.6729 39 Q 4.8457 8.1577 119.0928 55.7866 32.4215 172.9399 40 T 5.0748 8.6418 117.0912 62.1266 72.6791 172.7899 41 M 5.1414 9.0440 124.8413 53.5435 35.9086 174.6846 42 R 4.7067 9.2681 122.3726 54.4949 32.7067 175.0747 43 I 4.9522 8.2819 125.1021 59.2239 40.8272 174.7396 44 K 5.0650 8.9795 125.3668 54.5201 35.4493 175.4890 45 V 4.4697 8.9528 125.9078 62.9199 31.2941 175.9142 46 V 4.4280 8.9715 121.6191 61.7228 33.2652 176.1992 47 E 4.5685 7.9421 119.6198 55.4227 33.9263 176.1328 48 G 4.2209 8.6118 110.5126 46.7427 0.0000 173.4720 49 G 4.0547 7.8129 107.5417 43.0034 0.0000 172.5217 50 P 4.4093 0.0000 0.0000 61.8875 32.1617 176.3841 51 L 3.9651 7.9769 120.7020 54.1449 42.0204 175.7838 52 P 4.6178 0.0000 0.0000 62.8672 31.3334 175.5021 53 F 4.9536 6.4890 111.3188 54.5803 41.2852 174.2633 54 A 3.9977 8.5839 124.7624 52.3424 18.6574 178.8457 55 F 4.0712 9.2754 125.5126 61.2532 39.2194 176.8286 56 D 4.9110 8.5536 118.6209 57.6711 40.3372 178.4549 57 I 4.4241 7.6554 112.4677 62.1954 38.0482 177.0891 58 L 4.4229 8.3084 120.3849 54.8671 41.6267 177.9992 59 A 4.5812 8.2021 122.3728 54.9606 18.4212 179.3010 60 T 4.1260 7.8185 102.0763 62.7991 69.0660 175.1170 61 S 4.8092 7.9529 117.8168 59.5253 63.4459 174.3116 62 F 4.5599 7.7496 118.7652 58.0514 39.4400 176.5382 *66 S 4.1972 7.7696 113.7599 58.4507 62.5246 174.4957 67 K 3.9392 7.8751 119.4821 58.3543 32.5551 179.1767 68 T 4.1082 8.2339 115.0467 65.8956 69.1815 174.9116 69 F 4.5666 8.1767 122.4329 57.0009 38.2288 175.4056 70 I 4.6557 7.1426 120.0204 59.2216 40.5746 177.0090 71 N 4.5427 9.0130 125.8817 54.1347 39.2530 173.7014 72 H 4.8944 8.7778 124.7217 55.0533 29.0572 175.5571 73 T 4.1785 8.2603 114.8882 60.5941 71.0349 174.7456 74 Q 3.3756 9.2717 116.5628 56.7698 26.1243 174.5096 75 G 3.9492 8.4669 102.5082 46.1746 0.0000 174.3531 76 I 3.5937 7.3577 119.4529 59.8271 37.2726 174.4195 77 P 4.0780 0.0000 0.0000 62.9609 31.7809 176.2536 78 D 4.3426 8.2704 122.1702 52.3469 41.3349 176.2260 79 F 3.8497 8.2372 129.0169 61.0462 39.5842 176.4971 80 F 3.8010 7.3874 116.6366 60.4790 38.9959 177.8640 81 K 4.3962 8.6011 118.0081 59.6458 31.6113 179.4702 82 Q 4.1681 7.9932 117.4102 58.5592 28.7678 178.3080 83 S 4.0530 7.7611 115.6081 59.2607 62.9417 174.3487 84 F 4.7127 6.8628 119.2772 56.3327 39.3331 174.0555 85 P 4.7337 0.0000 0.0000 64.8441 31.8393 177.5405 86 E 3.9499 8.1394 118.7519 57.7472 29.9279 177.4888 87 G 3.2392 9.3910 105.9068 44.0896 0.0000 171.0890 88 F 5.4921 7.3665 112.8294 56.1064 42.1207 173.0521 89 T 5.2981 9.5522 108.8757 59.7256 72.3469 172.8715 90 W 5.9241 8.5667 118.2192 55.0183 32.2517 173.4935 91 E 5.1494 9.4286 122.3933 54.6811 32.5463 174.1983 92 R 5.1469 9.4690 126.5075 54.5359 34.4184 173.7405 93 V 4.7935 8.7076 124.5325 61.4956 34.4359 174.1277 94 T 4.8994 9.0433 125.5499 62.2761 70.7862 173.6114 95 T 4.9343 8.6874 124.4845 61.9591 70.7489 173.7311 96 Y 4.6129 9.1896 125.4107 57.4289 39.1010 176.9374 97 E 4.2629 9.2665 122.0473 58.1413 29.7938 177.4641 98 D 4.8135 8.1151 117.5965 53.1347 39.7189 176.4108 99 G 4.0308 8.1831 110.3390 45.9532 0.0000 175.3802 100 G 2.4200 7.5080 106.9447 45.8086 0.0000 173.0052 101 V 4.9450 8.1542 123.1837 60.7002 34.7664 173.8228 102 L 5.2815 9.4019 131.0447 53.7299 44.2902 174.8134 103 T 5.1692 9.2030 117.7538 60.3214 71.1419 173.7106 104 A 5.3358 9.0686 125.6348 50.5626 23.1784 174.9087 105 T 4.7518 8.6263 110.6297 59.8482 72.4044 172.7590 106 Q 4.4286 8.3460 124.2511 54.1814 33.0140 172.7755 107 D 5.0826 8.6831 124.3451 52.6163 44.3902 174.5180 108 T 5.2721 8.6785 122.5923 61.8785 71.2090 173.4094 109 S 5.2254 9.2899 120.6456 56.3274 67.3333 172.3880 110 L 5.1776 8.5014 120.6324 53.3961 44.7665 175.3532 111 Q 4.3705 8.8668 126.5893 55.5207 31.8408 174.4444 112 D 4.4584 9.7217 125.7241 55.6027 37.3028 174.4362 113 G 3.8551 8.1796 103.3018 46.0779 0.0000 172.3381 114 C 5.0776 8.0299 121.1609 57.1199 33.7339 173.0932 115 L 4.5472 8.7448 126.8489 54.7554 42.7984 176.0355 116 I 4.7661 8.8581 123.9148 59.8222 40.4043 173.8822 117 Y 5.4853 8.9277 125.6375 56.2597 40.6849 174.3769 118 N 5.5119 9.1067 122.3457 51.8085 42.1088 173.0886 119 V 4.6693 8.8394 125.6028 60.8943 35.2370 174.0556 120 K 5.0991 8.7632 126.4256 54.5963 35.2839 175.0410 121 I 4.9735 8.3124 125.0106 59.4482 40.8224 174.6889 122 R 4.9179 9.4019 126.5025 54.7314 33.2047 173.7136 123 G 4.6782 9.2700 114.5820 44.6646 0.0000 172.2412 124 V 4.7832 8.6009 117.1917 60.0545 36.4786 175.3586 125 N 4.3629 8.9643 118.6802 54.3982 37.1307 173.9702 126 F 3.9823 8.2706 115.9180 55.8123 39.2814 173.7144 127 P 4.4020 0.0000 0.0000 62.5098 31.6373 177.6484 128 S 4.0944 8.8164 116.8720 60.8734 63.0467 174.6453 129 N 4.7786 8.0921 115.8483 52.9000 38.8536 175.4852 130 G 3.9688 8.0715 107.2701 43.3306 0.0000 173.3385 131 P 4.3596 0.0000 0.0000 65.2064 31.2082 179.0281 132 V 3.4849 7.6700 118.1604 66.4603 31.4526 177.8110 133 M 4.1845 7.9826 116.2469 57.7349 31.9954 177.6389 134 Q 4.2475 7.9132 115.9286 54.6659 29.9645 175.3999 135 K 3.8443 7.8234 118.2834 58.1014 29.6790 175.1114 136 K 4.7773 8.2630 112.6748 56.4977 33.1094 177.4205 137 T 4.9031 7.9390 108.6401 59.6522 71.5725 173.6271 138 L 4.6521 8.3591 121.8709 54.6193 43.3537 177.7157 139 G 3.8046 8.5470 106.9320 44.7038 0.0000 172.5636 140 W 5.2894 8.1543 117.5602 54.8796 30.8070 176.7854 141 E 4.4488 9.1563 123.4438 55.7694 29.9219 176.6129 142 A 4.5143 8.5861 122.9226 52.9308 19.2636 176.8083 143 S 4.7312 8.9702 113.0991 57.3010 67.2872 172.7856 144 T 5.0608 8.4246 116.4671 61.7689 71.2897 173.0932 145 E 4.7759 9.2846 127.3323 54.6897 32.3092 173.9220 146 M 4.7861 8.8902 126.7893 54.0086 34.2839 174.4774 147 L 5.2166 8.2009 126.2162 53.2277 45.1418 175.0080 148 Y 5.1544 7.8961 119.0611 54.8976 41.6834 172.2127 149 P 4.8010 0.0000 0.0000 62.9873 32.6598 175.8813 150 A 4.3941 8.9445 125.4001 52.2744 22.2120 175.8991 151 D 4.1314 9.7940 124.3110 55.4681 39.6211 174.4281 152 G 3.9611 8.4791 103.5183 45.6349 0.0000 173.4750 153 G 4.4931 7.7223 108.1218 44.1715 0.0000 171.5840 154 L 4.9605 8.0026 120.8932 53.1179 45.1248 176.3853 155 E 4.8167 8.5271 125.4175 54.6865 31.9586 175.2305 156 G 4.8411 8.8252 109.3867 43.5571 0.0000 171.8415 157 R 5.2605 8.8365 119.7005 54.4907 34.7857 174.2696 158 S 4.8074 8.8567 116.6939 57.1078 66.4134 172.1463 159 D 5.3196 8.6388 125.3536 53.0478 42.6233 175.6293 160 M 4.9743 9.0830 121.6620 53.4122 36.3671 174.2588 161 A 5.1565 8.7843 122.9286 50.2549 21.9175 174.9445 162 L 4.0796 9.1500 126.1103 53.3876 43.5110 176.2401 163 K 4.4209 8.9367 126.8058 56.4515 33.4158 176.0948 164 L 5.1296 8.2064 122.5289 52.3380 45.5458 176.4148 165 V 3.5700 8.2513 122.2458 65.0042 31.6139 176.4770 166 G 3.9160 8.7012 115.6672 44.6799 0.0000 173.9714 167 G 3.9661 8.1120 107.2139 45.2016 0.0000 174.4648 168 G 4.0007 7.7189 108.4625 45.1655 0.0000 171.8378 169 H 5.3628 8.4393 114.4767 53.9935 33.2858 172.7355 170 L 4.7986 8.9274 123.2198 53.5296 44.4263 175.3420 171 I 5.1459 8.4676 126.6151 60.1770 39.8315 174.2565 172 C 5.1254 9.0758 118.9176 56.5182 33.5674 172.0441 173 N 5.3309 8.7642 118.1827 51.7889 41.7584 172.8589 174 L 5.0367 9.1599 125.8142 52.8553 44.5829 175.3865 175 K 4.8957 8.8483 123.1099 54.9101 35.0190 175.3492 176 T 4.8771 8.7683 121.4368 61.8189 72.6387 173.0589 177 T 4.8526 8.6926 121.8525 61.9309 71.5978 172.5244 178 Y 5.3877 8.9872 124.6091 56.3617 40.6668 175.0542 179 R 5.1964 9.3275 122.6371 54.5231 33.9342 174.6993 180 S 4.8664 8.8939 117.1137 57.3950 63.4299 174.0184 181 K 4.3124 8.7108 124.3723 57.1316 32.5824 177.2820 182 K 4.1586 7.6241 121.6810 54.8293 33.0347 174.8241 183 P 4.3703 0.0000 0.0000 62.1226 32.2740 177.0848 184 A 3.9718 8.9331 124.3302 55.7121 18.5295 180.3147 185 K 4.0159 7.8583 113.9427 59.5825 32.1324 177.1289 186 N 4.8748 8.1487 112.5844 52.5712 38.7291 174.3761 187 L 4.7571 7.7687 118.5083 52.6483 44.4080 175.9209 188 K 4.3403 9.3634 125.3372 55.0438 32.5195 176.0213 189 M 4.3506 8.4391 126.8628 54.2886 32.7213 174.7181 190 P 4.5853 0.0000 0.0000 62.2001 32.9439 176.4321 191 G 4.0841 8.1849 108.0746 44.7936 0.0000 173.0462 192 V 4.1396 8.3350 120.5307 63.5123 32.3848 176.2427 193 Y 4.7677 8.4195 124.5049 56.4250 41.9296 172.6683 194 Y 5.0417 9.0560 115.3798 56.2615 42.7098 175.0068 195 V 4.7755 8.9808 122.6004 61.3267 34.4637 173.8353 196 D 5.4721 8.9721 128.3862 53.1170 42.8888 175.8438 197 R 5.1814 8.9227 118.1730 55.1088 33.7740 173.8454 198 R 5.0421 8.8392 118.5454 54.3178 33.8005 174.7255 199 L 4.9709 8.6442 123.8744 53.5340 44.6176 175.1427 200 E 4.8620 9.3211 126.3566 54.3775 33.2024 175.3123 201 R 4.3087 8.7139 124.4666 56.4159 30.2319 175.6199 202 I 4.2697 8.7450 127.7994 62.9181 38.6855 176.0304 203 K 4.7557 7.5626 120.6129 55.2231 35.5592 174.4115 204 E 5.1571 8.5979 121.4316 54.7570 32.9382 174.2090 205 A 4.6170 8.7591 122.1483 50.4592 23.3742 175.4009 206 D 4.0941 8.9994 117.2035 56.0442 38.5838 174.3137 207 K 3.9923 8.5141 112.2663 57.9375 29.7641 175.8423 208 E 3.6118 8.9544 110.8652 57.6425 27.9390 176.6623 209 T 4.1399 7.5606 109.9701 63.0699 69.6331 173.2351 210 Y 5.1151 7.9396 124.2806 55.6823 42.0762 174.3778 211 V 4.2620 7.6869 125.5482 60.9262 35.4112 173.1125 212 E 4.8574 8.6563 128.7571 54.4966 31.7335 174.2762 213 Q 5.0367 8.9347 127.2461 54.5682 33.0417 173.1324 214 H 5.2625 9.2936 124.3166 54.3368 33.6877 171.6395 215 E 5.3172 8.9679 125.3047 54.2421 33.3061 174.5986 216 V 5.0677 8.4681 124.3417 59.9117 34.7163 174.3409 217 A 5.2293 9.1752 125.5458 50.3583 22.9553 174.9196 218 V 4.8601 8.9597 121.4850 61.0824 34.8090 174.2563 219 A 5.2586 9.1027 130.2472 51.2183 20.8741 176.0530 220 R 4.4989 9.0361 116.1702 55.2376 33.7226 174.2937 221 Y 5.2147 8.7577 118.7153 56.8658 40.3517 174.5262 222 C 4.0504 9.0686 120.9002 60.1980 31.6660 172.8693 223 D 4.7204 8.6255 126.0028 54.7301 41.1644 176.7943 224 L 4.2969 7.5551 119.5970 53.1986 42.4733 175.0246 225 P 4.4094 0.0000 0.0000 62.9341 31.8763 175.5740 226 S 4.7562 8.3102 113.8302 56.7118 64.8784 173.9233 227 K 4.3635 8.5719 123.8265 56.4654 32.5526 176.8408 228 L 4.3001 7.8983 124.8799 54.7766 41.7289 176.1581 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 E 8.44 4.38 0.00 2.11 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 2.19 2.37 0.00 4 L 8.13 3.85 0.00 1.80 1.77 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.55 4.14 1.87 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.53 0.00 0.00 6 T 8.03 4.70 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 1.26 0.00 0.00 7 E 8.80 4.28 0.00 2.06 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 2.44 2.42 0.00 8 N 8.05 5.52 0.00 2.63 2.69 0.00 0.00 6.65 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 9 M 9.28 4.98 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 10 H 8.36 5.37 0.00 3.04 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 9.02 5.19 0.00 1.66 1.81 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 12 K 8.82 5.16 0.00 1.60 1.64 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.35 7.81 13 L 9.14 5.45 0.00 1.94 1.67 1.26 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.16 5.17 0.00 3.14 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 15 M 8.47 5.08 0.00 1.97 1.63 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 16 E 8.57 4.50 0.00 1.93 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 2.03 2.17 0.00 17 G 6.65 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.01 5.48 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 1.24 0.00 0.00 19 V 8.61 4.62 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 0.00 0.00 0.14 0.00 0.00 0.34 0.00 0.00 20 N 9.79 4.19 0.00 2.85 2.88 0.00 0.00 7.13 8.82 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 21 N 8.26 4.30 0.00 2.95 3.02 0.00 0.00 7.08 8.16 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 22 H 8.26 4.72 0.00 3.28 3.53 0.00 5.58 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.60 5.17 0.00 3.25 3.14 0.00 5.76 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.01 5.19 0.00 3.39 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 25 K 9.12 4.92 0.00 1.68 1.51 0.00 1.96 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.21 1.34 7.81 26 C 9.12 5.64 0.00 3.10 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 27 T 8.83 5.39 4.38 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 1.39 0.00 0.00 28 S 9.14 5.21 0.00 4.06 4.10 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 29 E 9.03 5.12 0.00 1.91 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 0.00 2.26 2.42 0.00 30 G 8.99 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 31 E 8.27 5.13 0.00 1.97 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 2.24 0.00 32 G 8.73 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 0.00 0.00 0.00 33 K 9.03 5.38 0.00 1.87 1.84 0.00 1.76 0.00 0.00 2.02 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.41 7.81 34 P 0.00 3.95 0.00 1.29 1.49 0.00 3.94 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.22 0.00 35 Y 7.78 4.32 0.00 3.00 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 36 E 8.38 4.28 0.00 2.05 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 2.34 2.40 0.00 37 G 8.32 4.10 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 0.00 0.00 0.00 38 T 7.53 5.26 4.30 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 1.28 0.00 0.00 39 Q 8.16 4.85 0.00 1.51 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 40 T 8.64 5.07 4.23 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 1.25 0.00 0.00 41 M 9.04 5.14 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 42 R 9.27 4.71 0.00 1.84 1.95 0.00 3.20 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 43 I 8.28 4.95 1.49 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.52 0.81 0.00 0.00 44 K 8.98 5.06 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.51 7.81 45 V 8.95 4.47 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 0.89 0.00 0.00 1.14 0.00 0.00 46 V 8.97 4.43 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 0.88 0.00 0.00 1.02 0.00 0.00 47 E 7.94 4.57 0.00 2.02 1.86 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 2.37 2.39 0.00 48 G 8.61 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 0.00 0.00 0.00 0.00 49 G 7.81 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 50 P 0.00 4.41 0.00 2.11 2.01 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 51 L 7.98 3.97 0.00 0.91 0.13 0.44 0.78 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 52 P 0.00 4.62 0.00 2.18 2.05 0.00 3.36 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.72 0.00 53 F 6.49 4.95 0.00 2.86 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 54 A 8.58 4.00 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 55 F 9.28 4.07 0.00 3.23 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 56 D 8.55 4.91 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 4.42 1.87 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.77 0.76 0.00 0.00 58 L 8.31 4.42 0.00 1.28 1.68 0.57 0.62 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 59 A 8.20 4.58 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 60 T 7.82 4.13 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 0.77 0.00 0.00 61 S 7.95 4.81 0.00 3.84 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 62 F 7.75 4.56 0.00 3.17 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 *66 S 7.77 4.20 0.00 4.22 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 67 K 7.88 3.94 0.00 0.80 0.74 0.00 1.42 0.00 0.00 1.35 0.00 0.00 2.19 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.25 0.67 7.81 68 T 8.23 4.11 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 0.97 0.00 0.00 69 F 8.18 4.57 0.00 3.21 3.07 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 70 I 7.14 4.66 1.96 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 1.18 0.63 0.84 0.00 0.00 71 N 9.01 4.54 0.00 2.92 2.88 0.00 0.00 6.84 7.18 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 72 H 8.78 4.89 0.00 3.03 3.19 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.26 4.18 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 74 Q 9.27 3.38 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 75 G 8.47 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 0.00 0.00 0.00 76 I 7.36 3.59 1.50 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.56 -0.07 0.00 0.00 77 P 0.00 4.08 0.00 2.08 2.03 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 78 D 8.27 4.34 0.00 2.54 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.24 3.85 0.00 2.56 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 0.00 0.00 0.00 80 F 7.39 3.80 0.00 3.25 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 81 K 8.60 4.40 0.00 1.84 1.94 0.00 1.67 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.39 1.55 7.81 82 Q 7.99 4.17 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 83 S 7.76 4.05 0.00 3.77 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 84 F 6.86 4.71 0.00 3.17 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 85 P 0.00 4.73 0.00 2.25 2.25 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 86 E 8.14 3.95 0.00 2.03 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 2.29 2.37 0.00 87 G 9.39 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 0.00 0.00 0.00 88 F 7.37 5.49 0.00 3.42 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 89 T 9.55 5.30 4.32 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 1.20 0.00 0.00 90 W 8.57 5.92 0.00 3.17 3.47 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 91 E 9.43 5.15 0.00 2.01 1.78 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 2.19 2.38 0.00 92 R 9.47 5.15 0.00 1.89 1.91 0.00 2.86 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 93 V 8.71 4.79 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 0.93 0.00 0.00 0.94 0.00 0.00 94 T 9.04 4.90 4.45 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 0.96 0.00 0.00 95 T 8.69 4.93 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 1.20 0.00 0.00 96 Y 9.19 4.61 0.00 3.09 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 97 E 9.27 4.26 0.00 2.07 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 2.36 2.40 0.00 98 D 8.12 4.81 0.00 2.79 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 99 G 8.18 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 0.00 100 G 7.51 2.42 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 0.00 101 V 8.15 4.95 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 1.04 0.00 0.00 0.94 0.00 0.00 102 L 9.40 5.28 0.00 2.16 1.79 0.97 0.55 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 0.00 103 T 9.20 5.17 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 1.24 0.00 0.00 104 A 9.07 5.34 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 0.00 105 T 8.63 4.75 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 1.18 0.00 0.00 106 Q 8.35 4.43 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 107 D 8.68 5.08 0.00 2.63 2.39 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 0.00 108 T 8.68 5.27 3.27 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 1.32 0.00 0.00 109 S 9.29 5.23 0.00 3.88 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 0.00 110 L 8.50 5.18 0.00 1.72 1.71 0.76 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.87 4.37 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.07 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 112 D 9.72 4.46 0.00 2.83 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 0.00 113 G 8.18 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 0.00 0.00 0.00 114 C 8.03 5.08 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 0.00 115 L 8.74 4.55 0.00 1.61 1.52 0.96 0.31 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 0.00 116 I 8.86 4.77 1.89 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 1.37 1.11 0.93 0.00 0.00 117 Y 8.93 5.49 0.00 2.95 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 0.00 118 N 9.11 5.51 0.00 2.85 2.61 0.00 0.00 6.28 7.29 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 0.00 119 V 8.84 4.67 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 0.74 0.00 0.00 0.86 0.00 0.00 120 K 8.76 5.10 0.00 1.59 1.57 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.29 7.81 121 I 8.31 4.97 1.88 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 1.03 1.38 1.04 0.00 0.00 122 R 9.40 4.92 0.00 1.79 1.75 0.00 3.05 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 123 G 9.27 4.68 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 0.00 0.00 0.00 124 V 8.60 4.78 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 0.74 0.00 0.00 0.92 0.00 0.00 125 N 8.96 4.36 0.00 2.77 2.86 0.00 0.00 7.06 7.02 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 0.00 126 F 8.27 3.98 0.00 3.21 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 0.00 127 P 0.00 4.40 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 128 S 8.82 4.09 0.00 4.02 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 0.00 129 N 8.09 4.78 0.00 2.71 2.87 0.00 0.00 6.89 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 0.00 130 G 8.07 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 0.00 131 P 0.00 4.36 0.00 2.25 2.31 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 132 V 7.67 3.48 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 0.67 0.00 0.00 0.79 0.00 0.00 133 M 7.98 4.18 0.00 2.06 2.41 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 134 Q 7.91 4.25 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 135 K 7.82 3.84 0.00 1.84 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.39 7.81 136 K 8.26 4.78 0.00 1.60 1.73 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.47 7.81 137 T 7.94 4.90 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 1.18 0.00 0.00 138 L 8.36 4.65 0.00 1.38 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.55 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 0.00 0.00 0.00 140 W 8.15 5.29 0.00 3.27 3.19 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 0.00 141 E 9.16 4.45 0.00 1.96 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 2.63 2.46 0.00 142 A 8.59 4.51 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 0.00 143 S 8.97 4.73 0.00 3.83 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 0.00 144 T 8.42 5.06 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 1.33 0.00 0.00 145 E 9.28 4.78 0.00 1.90 1.68 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 2.11 2.29 0.00 146 M 8.89 4.79 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 147 L 8.20 5.22 0.00 0.47 1.05 0.47 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.90 5.15 0.00 2.96 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 0.00 149 P 0.00 4.80 0.00 2.11 2.07 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 150 A 8.94 4.39 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 0.00 151 D 9.79 4.13 0.00 2.76 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 0.00 152 G 8.48 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 0.00 153 G 7.72 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 0.00 0.00 0.00 0.00 154 L 8.00 4.96 0.00 0.58 1.07 0.68 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.53 4.82 0.00 1.16 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 1.96 2.24 0.00 156 G 8.83 4.84 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 0.00 0.00 0.00 157 R 8.84 5.26 0.00 1.75 1.79 0.00 3.32 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 158 S 8.86 4.81 0.00 3.80 3.52 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 0.00 159 D 8.64 5.32 0.00 2.58 2.55 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 0.00 160 M 9.08 4.97 0.00 1.79 1.65 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 161 A 8.78 5.16 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 0.00 0.00 0.00 0.00 0.00 162 L 9.15 4.08 0.00 0.98 1.57 -0.16 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 163 K 8.94 4.42 0.00 1.85 1.60 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.44 7.81 164 L 8.21 5.13 0.00 1.52 1.47 0.92 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 0.00 165 V 8.25 3.57 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 0.71 0.00 0.00 0.89 0.00 0.00 166 G 8.70 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 0.00 167 G 8.11 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 0.00 168 G 7.72 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 0.00 0.00 0.00 169 H 8.44 5.36 0.00 2.97 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.93 4.80 0.00 1.78 1.57 1.04 1.73 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 0.00 171 I 8.47 5.15 2.06 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 1.43 0.43 1.01 0.00 0.00 172 C 9.08 5.13 0.00 2.29 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 0.00 0.00 0.00 173 N 8.76 5.33 0.00 2.74 2.60 0.00 0.00 7.36 6.28 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 0.00 174 L 9.16 5.04 0.00 1.58 1.38 0.67 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.85 4.90 0.00 1.63 1.64 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.34 7.81 176 T 8.77 4.88 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 0.18 0.00 0.00 177 T 8.69 4.85 4.18 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 1.21 0.00 0.00 178 Y 8.99 5.39 0.00 2.76 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 0.00 179 R 9.33 5.20 0.00 1.88 1.90 0.00 3.16 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 180 S 8.89 4.87 0.00 3.13 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 0.00 181 K 8.71 4.31 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.38 7.81 182 K 7.62 4.16 0.00 1.90 1.54 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.35 7.81 183 P 0.00 4.37 0.00 2.20 1.94 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 2.10 2.07 0.00 184 A 8.93 3.97 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 0.00 185 K 7.86 4.02 0.00 1.75 1.90 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.52 7.81 186 N 8.15 4.87 0.00 2.66 2.79 0.00 0.00 6.89 7.39 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 0.00 187 L 7.77 4.76 0.00 1.57 1.49 0.71 0.52 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 0.00 188 K 9.36 4.34 0.00 1.64 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.39 7.81 189 M 8.44 4.35 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 190 P 0.00 4.59 0.00 2.20 2.08 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 191 G 8.18 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 0.00 192 V 8.34 4.14 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 0.67 0.00 0.00 0.96 0.00 0.00 193 Y 8.42 4.77 0.00 2.99 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 0.00 194 Y 9.06 5.04 0.00 3.02 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 0.00 195 V 8.98 4.78 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 0.91 0.00 0.00 0.87 0.00 0.00 196 D 8.97 5.47 0.00 2.66 2.57 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 0.00 197 R 8.92 5.18 0.00 1.84 1.94 0.00 2.80 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 198 R 8.84 5.04 0.00 1.80 1.87 0.00 3.11 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 199 L 8.64 4.97 0.00 1.58 1.59 0.97 0.74 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 0.00 200 E 9.32 4.86 0.00 1.96 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 2.27 2.28 0.00 201 R 8.71 4.31 0.00 1.84 1.85 0.00 3.21 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 202 I 8.75 4.27 1.94 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 1.12 0.98 0.99 0.00 0.00 203 K 7.56 4.76 0.00 1.81 1.62 0.00 1.71 0.00 0.00 2.01 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.47 7.81 204 E 8.60 5.16 0.00 1.76 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 2.09 2.31 0.00 205 A 8.76 4.62 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 0.00 0.00 0.00 0.00 0.00 206 D 9.00 4.09 0.00 2.85 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 0.00 207 K 8.51 3.99 0.00 1.83 1.80 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.35 7.81 208 E 8.95 3.61 0.00 1.97 1.81 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 2.07 2.13 0.00 209 T 7.56 4.14 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 1.22 0.00 0.00 210 Y 7.94 5.12 0.00 2.97 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 0.00 211 V 7.69 4.26 0.99 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 0.36 0.00 0.00 -0.16 0.00 0.00 212 E 8.66 4.86 0.00 1.96 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 2.17 2.17 0.00 213 Q 8.93 5.04 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 214 H 9.29 5.26 0.00 3.23 3.08 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.97 5.32 0.00 1.99 1.65 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 2.16 2.41 0.00 216 V 8.47 5.07 2.14 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 0.76 0.00 0.00 0.97 0.00 0.00 217 A 9.18 5.23 1.25 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 0.00 0.00 218 V 8.96 4.86 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 1.02 0.00 0.00 0.96 0.00 0.00 219 A 9.10 5.26 1.19 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 0.00 0.00 0.00 220 R 9.04 4.50 0.00 1.91 2.02 0.00 2.93 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 221 Y 8.76 5.21 0.00 3.15 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 0.00 222 C 9.07 4.05 0.00 2.96 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 0.00 223 D 8.63 4.72 0.00 2.72 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 0.00 224 L 7.56 4.30 0.00 1.63 1.59 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 225 P 0.00 4.41 0.00 2.17 2.06 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 1.99 1.95 0.00 226 S 8.31 4.76 0.00 3.80 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 0.00 227 K 8.57 4.36 0.00 1.78 1.82 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.44 7.81 228 L 7.90 4.30 0.00 1.61 1.54 0.92 0.66 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 * Residues marked with a * may have inaccurate shift predictions.