NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4072 8.3349 115.2879 58.4151 62.6043 173.2377 3 L 3.9457 7.8888 123.4127 54.4041 42.1902 175.0005 4 K 3.9241 8.0502 118.7505 58.6329 32.7197 176.7123 5 G 3.9781 8.9642 113.2255 44.9618 0.0000 173.0006 6 K 4.3692 7.8999 119.8410 56.0489 33.8221 176.2729 7 R 4.6796 9.8002 125.3971 55.4200 31.3415 175.0426 8 I 4.7509 8.7785 129.2223 59.4045 39.2646 175.6341 9 G 3.9444 8.9084 115.9309 45.8648 0.0000 172.9862 10 F 4.3345 9.4807 125.8151 56.1440 42.0786 173.4958 11 G 4.6776 8.7216 114.2839 45.4609 0.0000 170.9834 12 F 5.3183 8.5996 120.5872 55.4295 42.3075 174.3059 13 T 4.5036 8.6491 112.8938 61.0420 71.3434 173.9765 14 G 4.0322 8.9514 107.1693 44.1713 0.0000 173.3251 15 S 4.1708 8.4006 115.5311 58.5082 63.0410 175.0943 16 H 3.4153 8.3545 122.7706 58.8327 28.6392 177.8114 17 C 3.6207 7.4327 113.1653 60.3047 29.7135 174.8243 18 T 4.1654 6.7008 108.9457 62.9585 68.4578 174.5194 19 Y 4.8753 7.4659 119.7910 58.7811 38.3689 176.9954 20 E 4.1786 8.2598 119.6895 58.5166 29.7749 177.7646 21 E 4.2480 8.2682 116.0050 58.1532 31.0743 177.8050 22 V 4.3591 7.6531 115.1416 59.5471 30.6665 175.0517 *24 P 4.3357 0.0000 0.0000 62.8232 33.9938 179.2983 25 H 4.4007 8.3868 118.7999 58.1735 28.4603 177.0410 26 L 3.7008 7.8235 121.6815 58.1187 41.7219 178.6709 27 E 3.9094 7.9078 118.6580 59.1361 29.6122 178.5709 28 K 3.9508 7.9351 118.5794 59.5345 32.2224 179.2620 29 L 4.0334 8.0497 119.3358 57.8115 41.5968 179.6773 30 I 3.9489 7.6307 112.9016 63.9258 37.3601 177.9219 31 A 4.1251 8.0214 120.9953 53.7104 18.3225 178.0366 32 E 4.3614 7.6781 116.3426 56.0375 30.1548 176.3704 33 G 3.9307 8.2831 106.8417 46.0008 0.0000 172.4626 34 A 4.9713 7.4870 120.0735 50.0538 21.1243 177.3356 35 E 4.3724 8.9471 122.6813 55.2669 30.9719 175.0733 36 V 5.3373 8.3731 127.2579 60.6607 33.5704 174.8931 37 R 4.3952 8.2994 127.2785 53.8285 31.7927 173.9287 38 P 5.0197 0.0000 0.0000 62.5678 32.9045 175.8182 39 V 4.9236 9.0703 123.4783 61.1875 34.6941 174.4942 40 V 5.0885 8.6815 120.3527 59.4735 34.6590 176.6722 41 S 3.6710 8.6013 118.9470 61.6551 62.9652 174.1101 42 Y 4.7514 7.8197 114.6159 58.7064 39.6365 176.3867 *57 W 4.9784 8.8572 120.8096 57.1974 31.2117 178.3030 58 I 3.1769 5.9895 119.8103 63.6626 36.2796 177.9885 59 K 3.7342 7.7154 118.4330 59.6103 31.8577 178.8765 60 K 3.8742 7.9655 118.9058 59.6528 32.0632 178.5970 61 I 3.6898 7.6265 119.7096 64.5764 37.0425 178.3631 62 E 4.2254 8.1555 120.5447 58.4780 28.9445 179.1805 63 E 3.8732 8.1477 119.3536 59.3789 29.8712 178.4433 64 I 3.8078 8.1969 118.8493 64.2404 36.9545 177.5099 65 T 4.3849 8.3778 113.0739 61.5263 67.5798 176.3107 66 G 3.7592 8.2524 107.4248 45.2294 0.0000 173.0750 67 F 4.8993 7.3883 117.8719 54.8548 42.0836 175.1043 68 K 4.8492 8.9088 122.2575 55.9656 32.5075 176.6272 69 A 4.4022 8.6570 125.4495 51.5037 19.1444 177.6572 70 I 3.8657 8.4240 125.3776 61.7395 37.4394 176.3322 71 N 5.2622 8.7241 120.4572 52.0346 38.4214 173.8040 72 S 4.7263 7.6817 111.3471 56.0662 66.3951 174.6578 73 I 3.8276 8.4416 122.5536 64.6834 37.0377 178.9277 74 V 3.7327 7.8673 118.7263 65.8537 31.1641 178.0017 75 G 3.7331 7.8764 103.9099 46.8543 0.0000 174.8403 76 A 4.3267 7.9451 122.5753 54.0876 19.0818 179.1973 77 E 3.9504 7.7621 116.3082 59.1581 29.4629 177.6407 78 P 4.3664 0.0000 0.0000 64.8795 31.4817 178.2125 79 L 4.2755 7.8760 117.7126 57.7692 41.1850 178.1742 80 G 3.8753 8.1618 106.8053 45.9273 0.0000 172.8951 81 P 4.4415 0.0000 0.0000 63.8368 32.7620 177.8112 82 K 4.3111 8.1574 116.7414 57.3980 33.7292 176.8769 83 I 4.5081 7.4032 109.8244 58.1100 36.8623 173.7596 84 P 4.7669 0.0000 0.0000 63.1182 31.9813 177.0805 85 L 4.2903 8.1866 121.5733 54.6427 42.4990 176.5254 86 D 4.5544 8.6686 121.2941 56.9808 41.7625 175.8150 87 C 4.8417 7.3271 116.8380 58.8731 34.9974 172.2299 *89 V 4.0095 8.3484 115.6246 62.9730 32.9229 175.6307 90 I 4.4830 7.8885 127.1154 59.5284 40.2042 174.7425 91 A 4.5680 7.9844 127.7594 50.4588 21.9467 174.2152 92 P 4.5378 0.0000 0.0000 62.6540 33.8173 175.0681 93 L 4.7919 8.4021 123.3408 53.4468 43.4764 176.3596 94 T 4.6041 8.5653 117.3480 60.7800 69.8175 175.1135 95 G 3.8814 8.5816 110.5506 48.2329 0.0000 174.7787 96 N 4.4573 8.3246 118.2952 56.7804 39.3144 178.6057 97 S 4.3526 7.8449 112.7969 58.8380 62.5525 176.4458 *99 S 4.3595 8.2813 116.3536 58.4063 63.8384 175.7743 100 K 3.9990 8.1726 118.2308 59.4115 32.0081 178.7507 101 F 4.6030 8.8499 120.9257 61.5264 39.1511 177.1092 102 A 3.8189 8.0427 118.2506 54.4251 18.2689 178.1022 103 N 4.7589 7.7445 111.8915 51.6080 39.3532 171.8099 104 A 3.4821 7.5514 130.1384 51.9656 16.2367 178.2488 *106 T 4.2367 7.8706 115.1859 62.4220 70.1298 174.3796 107 D 4.7802 8.1721 117.8009 54.2194 40.1513 175.7806 108 S 4.6340 7.5770 112.2180 57.3292 65.9836 172.2027 109 P 4.3093 0.0000 0.0000 66.0081 31.5590 178.3463 110 V 3.6161 7.7820 117.1552 65.9859 31.7730 179.1041 111 L 3.9833 7.4108 117.0057 55.0995 40.9064 178.9731 *113 A 4.1352 8.2139 123.3171 52.2423 20.5906 179.7577 114 A 3.8255 7.9764 117.5503 55.1195 18.2212 179.6732 115 K 3.8940 8.1771 117.8923 59.7801 32.4028 178.8401 116 A 3.9983 7.9891 119.9347 54.7666 18.3049 179.4277 117 T 4.0749 7.5110 114.6009 66.3994 68.9442 177.2469 118 L 4.1220 8.1606 120.5454 57.1012 41.3169 179.2230 119 R 3.8446 7.9923 119.3516 59.3163 29.9457 176.7631 120 N 4.6533 8.1557 111.3302 52.7012 38.7494 175.2059 121 G 3.8824 7.9048 106.0216 46.2887 0.0000 173.8597 122 K 4.7788 7.6029 117.9888 53.4563 34.4447 174.7295 123 P 4.8989 0.0000 0.0000 63.0245 32.8881 175.0371 124 V 4.3904 9.0800 123.0144 61.0860 34.2442 174.1347 125 V 4.8141 8.2356 126.9797 61.0480 34.2244 173.8107 126 L 4.6885 8.7851 127.4665 52.8230 44.8404 175.4603 127 A 4.9486 8.4308 126.2613 49.8261 19.8920 175.8810 128 V 3.9668 8.1220 120.7619 62.9086 33.1947 176.0717 129 S 4.6963 8.4597 117.3076 58.0778 63.8931 172.6977 130 T 4.7871 7.9817 119.0618 60.4705 70.6153 173.2137 131 N 4.7536 9.0312 124.2116 53.6729 38.0896 174.9688 132 D 4.9134 7.7965 118.1087 53.1686 39.9887 177.8310 133 A 3.9316 8.1254 125.5856 55.2274 18.4732 179.6521 134 L 4.7920 8.1862 113.5671 54.8564 43.4396 177.7158 135 G 4.2203 7.5056 107.9443 44.7089 0.0000 178.0367 136 L 4.1276 8.6370 125.7692 56.9107 41.7744 177.1707 137 N 4.6875 8.1197 115.4093 54.2999 38.8895 176.6170 138 G 3.7941 7.7599 106.4860 47.8749 0.0000 175.9362 139 V 3.7846 7.6811 113.3363 64.1077 31.9963 177.9968 140 N 4.5374 7.9566 115.9243 55.9662 38.2064 177.4008 141 L 4.0708 7.5078 117.3554 55.7528 41.9116 177.6048 *143 R 4.3494 7.8331 117.7855 55.9943 31.5650 179.0002 144 L 3.9291 7.4946 117.8067 54.5814 40.8899 178.6899 *146 A 4.2380 8.0113 120.7211 51.8156 20.2092 177.8292 147 T 4.2495 7.8430 113.9649 61.8717 69.5144 174.6151 148 K 3.7946 8.3898 124.0644 58.5971 32.5679 176.6088 149 N 4.5377 8.9537 118.7438 53.6479 35.7421 172.9473 150 I 4.9220 6.7473 117.4035 59.7031 39.3424 174.7682 151 Y 5.0883 8.9892 123.4585 56.2460 42.4673 174.1932 152 F 5.1448 9.3541 120.2501 55.5807 41.7911 175.8669 153 V 4.3342 8.6246 117.4308 60.1273 32.1329 174.4610 154 P 4.6404 0.0000 0.0000 63.6176 32.5640 175.0075 155 F 5.2639 8.2310 116.8350 56.1599 42.0956 173.0457 156 G 5.0253 8.1470 104.1953 46.6041 0.0000 172.6909 157 Q 5.2961 8.7628 119.2545 55.8777 28.9708 177.3539 158 D 4.6624 9.1189 123.6726 55.0450 40.8108 177.3479 159 A 4.7573 7.6062 120.7560 50.5248 20.2577 174.4462 160 P 4.3086 0.0000 0.0000 64.4813 32.2937 178.8672 161 E 4.2196 8.0169 116.1150 58.3690 30.3387 177.6740 162 K 4.1816 8.0522 116.4056 58.8671 32.6044 177.6193 163 K 4.5970 8.3800 118.7276 53.4108 32.5614 174.8329 164 P 4.4372 0.0000 0.0000 64.5046 31.9035 177.2020 165 N 4.6720 8.0510 113.3825 53.2287 38.9581 174.6049 166 S 5.4390 7.8194 115.2189 56.7845 64.9478 172.6208 *168 V 4.4710 8.0936 119.5329 62.5332 32.4898 174.7013 169 A 4.8776 8.9598 129.0454 52.0286 19.5118 177.4492 170 R 4.2215 8.9605 119.7981 55.1992 31.4222 177.5940 *172 E 4.5057 8.3852 115.4573 56.1180 31.2778 176.8960 173 L 4.5034 8.0936 119.5100 54.3317 41.9634 177.4330 174 L 3.9000 7.7971 121.9266 58.5262 41.4756 178.5295 175 E 3.9643 8.1832 117.4435 59.6824 29.5210 178.8792 176 D 4.4307 8.1452 118.1603 57.7729 40.9511 178.9531 177 T 3.8326 8.0631 116.0516 66.7791 68.5704 176.7746 178 V 3.5515 8.1576 120.4121 65.8386 31.1410 178.0673 179 L 3.9119 8.0752 118.7853 57.9541 41.5460 179.3508 180 E 3.7595 8.1593 118.2203 59.2775 29.3515 179.3444 181 A 3.2752 7.8149 122.1558 54.2728 18.1328 179.5164 182 L 4.0484 7.4692 116.4131 57.7227 41.7261 178.8384 183 Q 4.3787 7.2231 114.9587 55.1289 28.8704 176.1215 184 G 3.9178 8.2103 108.2828 46.1073 0.0000 173.7475 185 K 4.6360 8.0110 118.4731 54.0106 34.8420 175.1810 186 Q 4.8039 8.5921 123.1724 54.4089 29.8099 175.3120 187 L 4.0477 8.6089 127.4528 55.5585 42.6574 175.9106 188 Q 4.8309 8.2875 123.6476 53.0879 31.9794 173.5457 189 P 4.4439 0.0000 0.0000 62.8145 32.3349 176.5774 190 V 3.9363 8.2019 119.5568 62.4101 33.4630 175.0940 191 V 4.1090 7.5145 120.9944 61.2495 32.4256 174.9829 192 V 4.4139 8.2805 120.6070 59.4052 36.5502 175.8482 193 E 4.5332 8.4059 121.9856 54.1452 27.9507 176.9347 194 K 3.9239 8.3271 124.3423 59.3834 32.6622 178.5934 195 F 4.4960 7.7110 112.6960 59.4701 37.8117 176.2610 196 R 4.0403 7.2781 118.5436 56.9496 30.2362 176.0453 197 Y 4.2737 7.8733 121.2028 58.0325 38.3944 175.2786 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 S 8.33 4.41 0.00 3.84 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 3 L 7.89 3.95 0.00 1.88 1.69 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.05 3.92 0.00 1.74 1.81 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 5 G 8.96 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 6 K 7.90 4.37 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.51 7.81 7 R 9.80 4.68 0.00 1.80 1.76 0.00 3.15 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 8 I 8.78 4.75 1.90 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 1.16 0.80 0.98 0.00 0.00 9 G 8.91 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 0.00 0.00 0.00 10 F 9.48 4.33 0.00 2.99 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 11 G 8.72 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 12 F 8.60 5.32 0.00 2.97 2.25 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 13 T 8.65 4.50 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 1.14 0.00 0.00 14 G 8.95 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 15 S 8.40 4.17 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.35 3.42 0.00 2.71 2.13 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.43 3.62 0.00 2.93 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 18 T 6.70 4.17 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 1.12 0.00 0.00 19 Y 7.47 4.88 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.26 4.18 0.00 1.99 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 2.33 2.47 0.00 21 E 8.27 4.25 0.00 2.18 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 2.42 2.47 0.00 22 V 7.65 4.36 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 1.04 0.00 0.00 1.33 0.00 0.00 *24 P 0.00 4.34 0.00 2.16 2.32 0.00 3.72 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 1.85 1.97 0.00 25 H 8.39 4.40 0.00 3.44 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.82 3.70 0.00 1.50 1.57 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.91 3.91 0.00 2.10 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 0.00 2.37 2.45 0.00 28 K 7.94 3.95 0.00 2.16 1.87 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.73 7.81 29 L 8.05 4.03 0.00 1.89 1.74 1.05 0.52 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 30 I 7.63 3.95 1.89 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 1.46 0.91 0.99 0.00 0.00 31 A 8.02 4.13 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 32 E 7.68 4.36 0.00 2.10 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 2.27 2.36 0.00 33 G 8.28 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 0.00 0.00 0.00 34 A 7.49 4.97 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 35 E 8.95 4.37 0.00 2.11 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 0.00 0.00 0.00 1.98 2.45 0.00 36 V 8.37 5.34 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 1.09 0.00 0.00 1.00 0.00 0.00 37 R 8.30 4.40 0.00 1.64 1.72 0.00 2.89 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 38 P 0.00 5.02 0.00 2.19 2.19 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 39 V 9.07 4.92 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 1.02 0.00 0.00 0.94 0.00 0.00 40 V 8.68 5.09 2.26 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 0.94 0.00 0.00 0.95 0.00 0.00 41 S 8.60 3.67 0.00 3.53 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 42 Y 7.82 4.75 0.00 3.18 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 *57 W 8.86 4.98 0.00 3.65 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 58 I 5.99 3.18 1.29 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.59 0.00 0.00 59 K 7.72 3.73 0.00 1.69 1.81 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.37 7.81 60 K 7.97 3.87 0.00 1.84 2.00 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 61 I 7.63 3.69 2.01 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.51 0.99 0.00 0.00 62 E 8.16 4.23 0.00 2.10 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 0.00 2.31 2.23 0.00 63 E 8.15 3.87 0.00 1.92 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 2.31 2.33 0.00 64 I 8.20 3.81 2.00 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 1.41 0.92 0.95 0.00 0.00 65 T 8.38 4.38 4.48 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 1.47 0.00 0.00 66 G 8.25 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.39 4.90 0.00 2.91 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 68 K 8.91 4.85 0.00 1.77 1.77 0.00 1.78 0.00 0.00 2.50 0.00 0.00 3.26 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.49 7.81 69 A 8.66 4.40 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 70 I 8.42 3.87 1.87 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 1.36 0.56 0.94 0.00 0.00 71 N 8.72 5.26 0.00 2.77 2.84 0.00 0.00 6.02 7.64 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 72 S 7.68 4.73 0.00 3.95 3.83 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 73 I 8.44 3.83 1.88 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 1.52 0.87 0.91 0.00 0.00 74 V 7.87 3.73 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 1.05 0.00 0.00 0.94 0.00 0.00 75 G 7.88 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 0.00 0.00 0.00 76 A 7.95 4.33 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 77 E 7.76 3.95 0.00 2.10 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 2.33 2.52 0.00 78 P 0.00 4.37 0.00 2.14 2.09 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 79 L 7.88 4.28 0.00 1.99 1.69 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.16 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 81 P 0.00 4.44 0.00 2.19 2.18 0.00 3.91 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 1.98 1.98 0.00 82 K 8.16 4.31 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 83 I 7.40 4.51 1.81 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 1.40 0.69 0.89 0.00 0.00 84 P 0.00 4.77 0.00 2.18 2.10 0.00 3.44 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 85 L 8.19 4.29 0.00 1.61 1.73 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.67 4.55 0.00 2.60 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 87 C 7.33 4.84 0.00 2.91 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 *89 V 8.35 4.01 1.53 0.00 0.00 0.00 0.00 0.00 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0.00 *143 R 7.83 4.35 0.00 1.87 2.10 0.00 3.39 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 144 L 7.49 3.93 0.00 2.23 1.79 0.99 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *146 A 8.01 4.24 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 0.00 147 T 7.84 4.25 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 148 K 8.39 3.79 0.00 1.70 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.46 7.81 149 N 8.95 4.54 0.00 2.94 3.19 0.00 0.00 6.93 7.32 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 0.00 150 I 6.75 4.92 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.78 0.00 0.00 151 Y 8.99 5.09 0.00 2.86 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 0.00 152 F 9.35 5.14 0.00 3.02 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.62 4.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.05 0.00 0.00 154 P 0.00 4.64 0.00 2.01 2.08 0.00 3.61 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 155 F 8.23 5.26 0.00 3.19 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 0.00 156 G 8.15 5.03 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 0.00 157 Q 8.76 5.30 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.32 0.00 158 D 9.12 4.66 0.00 2.78 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.61 4.76 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 0.00 160 P 0.00 4.31 0.00 1.90 1.90 0.00 3.40 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.82 0.00 161 E 8.02 4.22 0.00 1.91 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 2.17 2.20 0.00 162 K 8.05 4.18 0.00 1.75 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.41 7.81 163 K 8.38 4.60 0.00 1.74 1.69 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.39 7.81 164 P 0.00 4.44 0.00 2.04 2.11 0.00 3.72 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 165 N 8.05 4.67 0.00 2.91 2.84 0.00 0.00 6.80 7.57 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 0.00 166 S 7.82 5.44 0.00 3.95 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 *168 V 8.09 4.47 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.05 0.00 0.00 169 A 8.96 4.88 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 0.00 170 R 8.96 4.22 0.00 1.89 1.78 0.00 2.84 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 *172 E 8.39 4.51 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 173 L 8.09 4.50 0.00 1.75 1.69 0.82 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.80 3.90 0.00 1.66 1.62 0.84 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.18 3.96 0.00 2.12 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 2.45 2.52 0.00 176 D 8.15 4.43 0.00 2.86 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 0.00 177 T 8.06 3.83 4.42 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 1.29 0.00 0.00 178 V 8.16 3.55 2.20 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 1.00 0.00 0.00 0.92 0.00 0.00 179 L 8.08 3.91 0.00 1.94 1.67 0.91 0.83 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 0.00 180 E 8.16 3.76 0.00 2.04 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 0.00 2.45 2.45 0.00 181 A 7.81 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.47 4.05 0.00 1.78 1.71 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 183 Q 7.22 4.38 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.43 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 184 G 8.21 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 0.00 185 K 8.01 4.64 0.00 1.84 1.67 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.44 7.81 186 Q 8.59 4.80 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 187 L 8.61 4.05 0.00 1.63 1.60 0.91 0.73 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 0.00 188 Q 8.29 4.83 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 189 P 0.00 4.44 0.00 2.10 2.00 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 190 V 8.20 3.94 2.25 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 0.65 0.00 0.00 1.03 0.00 0.00 191 V 7.51 4.11 1.92 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 0.67 0.00 0.00 0.66 0.00 0.00 192 V 8.28 4.41 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 0.61 0.00 0.00 0.84 0.00 0.00 193 E 8.41 4.53 0.00 1.69 1.12 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 2.39 2.23 0.00 194 K 8.33 3.92 0.00 1.98 2.06 0.00 1.71 0.00 0.00 2.05 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.67 7.81 195 F 7.71 4.50 0.00 3.15 3.33 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 0.00 196 R 7.28 4.04 0.00 1.29 1.48 0.00 2.91 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.00 197 Y 7.87 4.27 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.