NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.2595 8.0327 115.2442 61.2789 68.5776 172.7630 9 E 3.7886 8.6004 126.9084 57.1871 29.9926 174.9401 10 N 4.1961 9.3131 122.7969 53.9315 37.3429 173.8065 11 A 4.2132 7.4734 120.1437 51.3368 19.1402 178.2482 12 A 4.1794 8.2959 123.4645 51.1997 19.1341 176.1753 13 P 4.3495 0.0000 0.0000 62.0356 32.1438 176.3508 14 A 4.1091 8.4758 124.3578 52.8367 18.8194 176.9393 15 Q 4.5263 8.3028 119.9572 53.7534 32.9593 174.9190 16 A 4.1879 8.4972 124.3794 51.3318 19.3632 176.1415 17 P 4.3253 0.0000 0.0000 62.9864 33.0811 178.1514 18 V 3.6492 8.5162 121.8874 65.1296 31.1004 178.4643 19 S 4.1684 8.1716 113.0888 61.5199 62.2476 175.8568 20 D 4.5128 8.1595 120.9253 57.3947 40.6152 178.8913 21 R 3.9646 8.1586 118.4581 59.0930 30.0968 178.8709 22 A 3.9093 8.5013 120.9078 55.1285 18.1699 179.8386 23 W 4.3524 8.2028 115.8950 59.5243 29.1378 178.4370 24 A 4.2626 8.1130 120.5173 55.0230 18.2342 179.0303 25 L 4.1208 8.1452 118.9044 58.1850 42.1290 179.2825 26 F 4.1234 8.0803 116.1481 59.3877 37.5732 176.1229 *28 A 4.2598 7.8833 121.5047 51.9781 20.6306 179.8361 29 L 4.0425 7.7048 115.2041 57.8819 41.7191 179.1079 30 D 4.1991 8.0905 118.5402 57.1620 40.8746 178.2916 31 G 3.7507 7.8892 103.7633 46.2761 0.0000 174.4278 32 K 4.5015 7.0815 117.2077 55.5047 32.5422 176.8072 33 G 3.8664 7.7848 107.1193 46.1602 0.0000 174.7530 34 L 4.1498 7.6324 118.1225 54.7199 42.0484 176.8220 35 V 4.0750 7.2671 118.4233 59.8925 33.1042 173.2194 36 P 4.3915 0.0000 0.0000 62.4643 31.8749 175.7378 37 D 4.5922 8.6367 120.6531 56.1756 41.2274 177.2374 38 G 4.1763 9.1442 110.4275 46.4631 0.0000 174.7027 39 Y 3.9973 8.1739 121.2543 60.9308 38.8443 178.6283 40 V 3.9012 8.1408 112.7429 64.2540 31.6917 178.4009 41 E 4.0787 8.3001 118.4388 59.0619 29.1378 179.2801 42 G 3.3398 7.9737 105.0806 47.6486 0.0000 175.4496 43 W 3.7330 7.7174 121.9503 58.6832 28.8938 179.1429 44 K 4.2005 7.9697 116.9238 57.2534 31.4270 178.5738 *46 T 3.8710 7.8407 114.8829 63.0120 70.1699 176.4336 47 F 4.2700 7.7342 118.6453 60.3759 39.0305 176.6201 48 E 4.2858 8.2153 118.9419 57.7032 29.8338 177.0778 49 E 4.5005 8.0568 116.0994 56.9661 31.9175 176.5058 50 D 4.5817 7.8999 116.5092 56.0335 41.9160 176.9560 51 F 4.7488 7.9416 118.3119 57.9212 39.0046 174.9782 52 S 4.5606 8.1598 119.3799 56.4954 66.1960 173.7557 53 P 4.7087 0.0000 0.0000 62.9218 29.3812 176.6698 *55 R 3.9918 7.8768 122.5823 56.8447 32.6511 178.5959 56 G 3.6543 7.9675 104.1059 47.9804 0.0000 175.3053 57 A 3.8523 8.0866 123.1821 54.7730 18.3431 179.2897 58 E 3.7866 7.9398 117.2384 59.4139 29.7054 178.9252 59 L 3.6734 7.6749 118.9969 57.5425 41.5577 179.7359 60 V 3.1831 7.7329 117.9837 65.7808 31.3074 177.9044 61 A 3.9598 7.8647 120.7941 55.0452 18.2140 179.5425 62 R 3.8111 8.0295 116.9128 59.6149 29.9468 178.5484 63 A 4.2991 8.0067 119.2037 55.2634 18.4456 179.4230 64 W 4.6067 8.4853 116.9406 59.1581 29.1998 177.7559 65 T 4.8447 7.6574 107.1815 60.7758 69.7589 174.1469 66 D 4.7109 8.1934 121.2328 51.7285 42.0424 175.1631 67 P 4.5911 0.0000 0.0000 61.8862 31.0942 177.8226 *69 F 4.7232 8.2082 121.8856 58.3843 41.1939 176.9348 70 R 4.0053 8.2358 118.1764 57.0089 29.8659 177.5939 *72 L 4.0734 8.0698 119.4117 54.3940 43.9444 178.4301 73 L 3.7469 7.8428 119.9668 57.8607 41.6158 178.4712 74 L 4.3090 7.7408 117.2755 56.0776 41.8972 178.0412 75 T 4.4885 7.5504 108.1044 61.8973 71.6592 174.3822 76 D 4.5916 8.3935 120.9564 50.8550 41.8224 175.1135 77 G 3.7717 8.0113 111.6346 46.6790 0.0000 172.4453 78 T 3.7139 7.5250 117.0792 66.3337 68.4652 176.3748 79 A 3.9244 8.0961 122.3629 54.9708 16.8010 179.4884 80 A 3.9202 7.8361 119.2729 55.4442 18.5432 180.1001 81 V 3.9261 8.0831 116.7057 66.1163 31.5975 178.0618 82 A 4.0798 8.3680 120.7069 55.1975 17.9170 179.6066 83 Q 3.9412 7.8734 115.5970 59.0512 28.8822 177.1676 84 Y 3.6774 7.4780 112.6212 57.6813 38.1874 176.0233 85 G 3.8269 7.7868 107.8669 46.8557 0.0000 173.7017 86 Y 5.0170 7.6764 114.2865 57.3739 38.1256 176.3578 87 L 4.3643 7.9970 120.1051 54.9764 42.6284 176.8446 88 G 4.0933 8.0680 107.4916 45.0601 0.0000 170.7001 89 P 4.4813 0.0000 0.0000 64.3414 31.8850 176.2597 90 Q 3.2219 8.7380 120.1358 56.3845 26.3288 174.6313 91 G 4.4742 7.6406 102.2228 44.4232 0.0000 175.8737 92 E 4.2128 8.3286 119.6231 56.6112 31.1232 175.7150 93 Y 4.4451 7.7529 119.2552 55.8435 40.9422 174.0342 94 I 4.7856 8.1009 128.2072 59.4212 40.0893 175.1406 95 V 4.5881 8.3365 125.6619 60.9737 34.2876 173.9139 96 A 5.0525 8.6184 129.6058 50.8731 20.5017 176.3457 97 V 4.4411 8.5955 115.7020 59.3094 34.5965 174.5412 98 E 4.9596 8.7160 123.6840 55.0520 30.5377 175.7947 99 D 4.9200 9.0477 125.1050 54.5309 42.5290 175.4033 100 T 4.7173 8.7720 111.0518 59.2818 72.6079 172.9828 101 P 4.4016 0.0000 0.0000 64.7293 31.4535 177.4085 102 T 4.5607 7.9366 106.9612 60.8436 69.4957 172.9453 103 L 5.0743 8.1067 124.8207 53.7162 45.9421 174.3841 104 K 4.9892 9.5116 127.7305 54.7951 34.4533 174.3567 105 N 5.5750 9.5676 125.2924 52.1940 41.0704 174.3380 106 V 4.7958 8.9085 121.1560 61.4956 35.5453 173.7717 107 I 5.2779 8.8040 127.6254 59.7924 39.7238 175.1798 108 V 4.5068 8.9755 124.2640 60.6636 35.5364 173.5059 109 C 5.2410 7.8493 118.6829 57.2863 32.0482 174.4088 110 S 4.1104 9.5582 121.7315 60.5200 62.9290 176.1764 111 L 4.0223 7.2653 119.9217 56.2974 41.9219 176.6936 *113 A 4.1993 7.5856 119.2979 52.1537 19.5814 175.6903 *115 T 4.0960 8.0961 114.8521 63.2770 69.9664 175.7018 116 A 4.7579 7.9956 127.1458 50.7206 16.3269 177.7336 117 W 4.6114 8.2027 123.5551 58.9903 29.7434 177.4637 118 P 3.8272 0.0000 0.0000 64.2933 31.1625 177.8462 119 I 4.1523 7.6212 109.7869 60.5823 39.1164 176.6798 120 L 4.3060 8.0693 119.4763 53.7659 42.8423 177.7029 121 G 4.1197 8.0861 103.0888 44.7394 0.0000 173.2907 122 L 3.7005 8.0599 118.8526 53.6542 42.0742 175.9920 123 P 4.0364 0.0000 0.0000 61.8942 32.1512 174.5281 124 P 4.3773 0.0000 0.0000 62.3593 32.4680 177.1154 125 T 3.8185 8.6500 116.7087 66.9392 68.4110 176.6356 126 W 4.2809 8.0540 117.7376 59.7533 27.9157 177.5626 127 Y 3.1883 6.4834 119.3131 59.5416 38.1604 176.9308 128 K 4.3009 7.5279 117.0668 55.9948 33.0828 177.4142 129 S 4.2722 7.3274 115.1036 57.8271 63.8330 175.4825 130 F 4.5808 8.4992 121.0588 60.7742 38.5976 177.7961 131 E 4.0504 8.3420 117.9489 59.6595 29.3906 178.6538 132 Y 4.1743 8.2387 119.3411 60.9408 38.7493 177.9770 133 R 3.8014 8.0584 117.4476 59.0679 30.1842 178.5946 134 A 4.1391 8.1931 120.0195 54.7182 18.9461 179.1836 135 R 4.2057 7.9426 116.1889 58.2431 30.5219 179.4666 136 V 3.6304 7.4091 117.5082 64.3722 31.5213 177.7518 137 V 3.5928 7.6038 119.3906 64.9835 31.6530 176.3509 138 R 4.2858 7.8524 118.4002 57.1298 31.5678 175.9037 139 E 4.7656 8.4484 115.0527 53.5137 29.4424 174.6163 140 P 4.2258 0.0000 0.0000 66.4875 31.7930 178.4698 141 R 3.8402 7.8889 118.0359 59.1470 30.0472 178.2420 142 K 3.9237 7.9693 118.9561 59.3608 32.2708 178.6241 143 V 3.5991 7.9442 118.5346 66.1675 31.4331 177.9309 144 L 4.0028 8.1461 118.7732 57.7970 41.4702 179.4825 145 S 4.2771 8.1113 114.3093 61.0458 62.1541 176.0855 146 E 4.0045 8.2049 120.0267 59.5956 29.2859 178.6745 147 M 4.2318 7.7451 116.4867 55.7828 32.2060 177.1168 148 G 3.9867 7.8727 107.7447 45.2757 0.0000 173.5447 149 T 4.3524 8.4314 117.3759 61.4915 69.6701 173.3399 150 E 4.4002 8.6590 127.2576 55.1281 29.8650 176.2018 151 I 4.1628 8.1858 125.4329 59.4196 38.4029 175.8506 152 A 4.0847 8.5746 128.2438 52.5034 18.6935 178.3786 153 S 4.1748 8.7082 117.4664 61.6979 63.0479 175.1516 154 D 4.7564 8.0378 117.9637 54.2344 40.4869 175.3823 155 I 4.6750 7.4216 120.7136 59.1457 39.6400 175.2500 156 E 4.1271 9.1903 129.0716 56.3181 30.7881 175.2535 157 I 4.9019 8.2991 127.1339 59.7027 39.3205 174.7961 158 R 4.4507 9.0980 127.6087 54.4912 32.5538 174.1485 159 V 4.6690 8.2852 126.5753 61.6930 33.1741 174.3142 160 Y 4.1869 9.2392 126.6012 56.6157 39.2767 174.1705 161 D 4.9370 8.5666 125.2446 53.5337 42.1711 177.0392 162 T 4.7368 9.1845 125.4603 63.0412 66.3880 174.5437 163 T 4.4809 8.4052 113.0463 61.4553 71.3879 175.6163 164 A 4.6633 7.3685 125.9643 52.2630 18.6590 177.8490 165 E 4.3815 8.6888 117.2946 58.9651 30.5192 176.3161 166 T 4.2074 7.6756 116.0336 63.7384 69.3098 173.7615 167 R 4.4971 8.7585 124.6896 54.5601 33.0984 174.4654 168 Y 5.9523 8.8892 120.9552 55.9245 40.5409 174.9263 169 M 4.8974 8.2877 118.0316 53.5152 35.1306 174.1713 170 V 4.1829 8.6576 122.0637 62.5172 32.8788 175.5020 171 L 4.4975 8.9759 131.4034 53.0612 42.2267 174.0211 172 P 5.2735 0.0000 0.0000 61.5477 32.6706 176.1643 173 Q 4.2659 8.6418 119.5252 55.9549 29.5087 176.3095 174 R 2.7194 8.0975 123.6418 54.4071 30.2025 174.5351 175 P 4.2085 0.0000 0.0000 61.9575 32.2230 175.8252 176 A 4.1228 7.9784 123.0788 53.4919 18.7892 178.1916 177 G 3.8609 8.8999 109.1346 45.5348 0.0000 174.3012 178 T 2.4800 6.6581 108.4476 60.2474 68.8653 173.8905 179 E 4.0054 7.6303 122.0910 58.1727 29.6739 177.5332 180 G 4.0667 8.9412 111.5257 45.1554 0.0000 173.7459 181 W 4.5873 7.9211 119.7407 56.5231 29.7452 176.2338 182 S 4.5702 9.2964 116.4688 57.9724 63.4098 176.1112 183 Q 4.4381 8.4889 118.0106 56.2817 27.7134 178.9678 *185 Q 4.2485 8.1913 118.5593 56.0857 30.7227 177.0339 186 L 4.6830 8.5383 117.0637 58.0951 41.9990 179.8230 187 Q 4.1460 8.4993 120.7424 55.4284 27.8115 178.1136 *189 I 4.1440 7.7489 110.4181 60.2672 39.4350 175.6632 190 V 3.9916 7.5962 121.6364 62.1476 30.5330 175.8684 191 T 4.4363 7.9741 118.5373 59.8706 71.8333 175.1008 192 K 3.8450 8.5261 121.0519 60.1399 32.0444 178.1718 193 D 4.6077 8.2029 118.2619 57.5195 40.5049 178.4138 194 C 4.6626 7.6044 117.9022 62.3864 28.3323 175.8130 195 L 4.1630 7.9248 120.1509 57.7052 41.1735 179.5637 196 I 3.9170 7.9589 120.1650 63.2868 36.9321 177.5429 197 G 4.3442 8.0475 104.5994 46.1965 0.0000 174.8701 198 V 3.8949 7.9662 111.8069 62.5183 32.2021 175.7512 199 A 4.8997 7.7003 121.3091 49.0663 21.9729 174.4833 200 I 4.5862 7.9901 120.1254 58.5210 39.2676 174.4411 201 P 4.3996 0.0000 0.0000 63.1514 31.7566 175.6013 202 Q 4.6200 8.5879 121.1578 54.0431 30.8421 175.0523 203 V 4.2874 8.1254 121.9163 60.5521 32.7834 173.8999 204 P 4.4919 0.0000 0.0000 63.2652 31.1714 175.9553 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 8 T 8.03 4.26 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 9 E 8.60 3.79 0.00 2.05 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 2.30 2.40 0.00 10 N 9.31 4.20 0.00 2.92 2.90 0.00 0.00 7.01 7.35 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 11 A 7.47 4.21 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 12 A 8.30 4.18 1.26 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 0.00 0.00 13 P 0.00 4.35 0.00 2.20 2.07 0.00 3.80 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 2.00 1.97 0.00 14 A 8.48 4.11 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 15 Q 8.30 4.53 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 16 A 8.50 4.19 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 17 P 0.00 4.33 0.00 2.34 2.04 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 18 V 8.52 3.65 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 0.86 0.00 0.00 0.92 0.00 0.00 19 S 8.17 4.17 0.00 4.01 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 20 D 8.16 4.51 0.00 2.99 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 21 R 8.16 3.96 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 22 A 8.50 3.91 1.10 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 23 W 8.20 4.35 0.00 3.46 3.32 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 24 A 8.11 4.26 1.48 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 0.00 0.00 25 L 8.15 4.12 0.00 1.80 1.88 0.93 0.77 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 26 F 8.08 4.12 0.00 3.18 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 A 7.88 4.26 1.39 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 0.00 0.00 29 L 7.70 4.04 0.00 1.58 1.62 0.91 0.82 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 30 D 8.09 4.20 0.00 1.60 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 0.00 0.00 0.00 31 G 7.89 3.75 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 0.00 0.00 0.00 32 K 7.08 4.50 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.54 7.81 33 G 7.78 3.87 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 0.00 0.00 0.00 34 L 7.63 4.15 0.00 1.75 1.65 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.27 4.07 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 1.06 0.00 0.00 0.82 0.00 0.00 36 P 0.00 4.39 0.00 2.37 2.02 0.00 3.06 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 37 D 8.64 4.59 0.00 2.71 2.68 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 38 G 9.14 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 0.00 0.00 0.00 0.00 39 Y 8.17 4.00 0.00 3.40 3.15 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 40 V 8.14 3.90 2.17 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 1.18 0.00 0.00 0.94 0.00 0.00 41 E 8.30 4.08 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 42 G 7.97 3.34 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 43 W 7.72 3.73 0.00 3.24 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.97 4.20 0.00 1.97 1.92 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.54 7.81 *46 T 7.84 3.87 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 0.17 0.00 0.00 47 F 7.73 4.27 0.00 3.05 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.29 0.00 2.02 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 2.32 2.41 0.00 49 E 8.06 4.50 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 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 F 8.50 4.58 0.00 3.07 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 0.00 131 E 8.34 4.05 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 132 Y 8.24 4.17 0.00 3.35 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 0.00 133 R 8.06 3.80 0.00 2.00 2.14 0.00 3.28 0.00 0.00 3.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 134 A 8.19 4.14 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 0.00 135 R 7.94 4.21 0.00 2.01 1.96 0.00 3.17 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 136 V 7.41 3.63 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 -0.09 0.00 0.00 0.89 0.00 0.00 137 V 7.60 3.59 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 0.71 0.00 0.00 0.82 0.00 0.00 138 R 7.85 4.29 0.00 1.76 1.88 0.00 3.20 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 139 E 8.45 4.77 0.00 2.07 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 2.25 2.21 0.00 140 P 0.00 4.23 0.00 2.29 2.48 0.00 3.67 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 2.06 2.00 0.00 141 R 7.89 3.84 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 142 K 7.97 3.92 0.00 1.86 1.92 0.00 1.78 0.00 0.00 2.00 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.50 7.81 143 V 7.94 3.60 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 1.16 0.00 0.00 0.98 0.00 0.00 144 L 8.15 4.00 0.00 1.95 1.92 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.11 4.28 0.00 3.94 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 0.00 146 E 8.20 4.00 0.00 2.12 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 2.35 2.48 0.00 147 M 7.75 4.23 0.00 1.78 2.12 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.36 0.00 148 G 7.87 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 0.00 149 T 8.43 4.35 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 1.23 0.00 0.00 150 E 8.66 4.40 0.00 1.95 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 2.27 2.26 0.00 151 I 8.19 4.16 1.88 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 1.37 0.81 0.93 0.00 0.00 152 A 8.57 4.08 1.26 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 0.00 0.00 153 S 8.71 4.17 0.00 3.87 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 0.00 154 D 8.04 4.76 0.00 2.66 2.68 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 0.00 155 I 7.42 4.67 2.00 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 1.29 0.62 0.97 0.00 0.00 156 E 9.19 4.13 0.00 2.04 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 2.30 2.28 0.00 157 I 8.30 4.90 1.87 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 1.25 0.74 0.93 0.00 0.00 158 R 9.10 4.45 0.00 1.79 1.78 0.00 3.11 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.25 0.00 159 V 8.29 4.67 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 0.80 0.00 0.00 0.90 0.00 0.00 160 Y 9.24 4.19 0.00 2.56 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 0.00 0.00 0.00 161 D 8.57 4.94 0.00 2.66 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 0.00 162 T 9.18 4.74 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 0.00 163 T 8.41 4.48 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 1.28 0.00 0.00 164 A 7.37 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.69 4.38 0.00 1.81 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 2.15 2.16 0.00 166 T 7.68 4.21 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 0.56 0.00 0.00 167 R 8.76 4.50 0.00 1.56 1.68 0.00 3.30 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 168 Y 8.89 5.95 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 0.00 169 M 8.29 4.90 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 170 V 8.66 4.18 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 0.84 0.00 0.00 1.10 0.00 0.00 171 L 8.98 4.50 0.00 1.76 1.59 0.75 0.74 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 0.00 172 P 0.00 5.27 0.00 2.38 2.17 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 173 Q 8.64 4.27 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 174 R 8.10 2.72 0.00 0.67 1.13 0.00 2.47 0.00 0.00 2.78 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 175 P 0.00 4.21 0.00 2.06 2.03 0.00 2.96 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 176 A 7.98 4.12 1.15 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 0.00 0.00 177 G 8.90 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 0.00 178 T 6.66 2.48 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 -0.03 0.00 0.00 179 E 7.63 4.01 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 180 G 8.94 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 0.00 0.00 0.00 181 W 7.92 4.59 0.00 3.36 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 0.00 182 S 9.30 4.57 0.00 4.02 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 0.00 183 Q 8.49 4.44 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.52 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 *185 Q 8.19 4.25 0.00 2.27 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 7.07 0.00 0.00 0.00 0.00 0.00 1.95 2.27 0.00 186 L 8.54 4.68 0.00 2.05 2.21 1.26 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 8.50 4.15 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.45 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 *189 I 7.75 4.14 2.18 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.84 1.31 0.00 0.00 190 V 7.60 3.99 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 0.68 0.00 0.00 0.77 0.00 0.00 191 T 7.97 4.44 4.28 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 1.26 0.00 0.00 192 K 8.53 3.84 0.00 1.86 1.93 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.69 7.81 193 D 8.20 4.61 0.00 2.81 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 0.00 194 C 7.60 4.66 0.00 3.12 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 0.00 195 L 7.92 4.16 0.00 1.90 1.70 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 196 I 7.96 3.92 2.10 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 1.28 0.00 0.00 197 G 8.05 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 0.00 198 V 7.97 3.89 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 1.04 0.00 0.00 0.98 0.00 0.00 199 A 7.70 4.90 1.24 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 0.00 200 I 7.99 4.59 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.94 0.00 0.00 201 P 0.00 4.40 0.00 2.20 2.39 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 202 Q 8.59 4.62 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 203 V 8.13 4.29 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 0.91 0.00 0.00 0.74 0.00 0.00 204 P 0.00 4.49 0.00 2.18 2.04 0.00 4.12 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.