NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 N 4.7197 8.4244 117.7897 52.1630 39.9299 174.1456 9 D 4.9828 8.1831 120.3339 57.1491 41.4358 177.0708 10 T 3.9632 8.0515 115.8859 66.4293 69.0343 176.1664 11 R 3.7467 7.7661 120.4910 59.3532 30.2608 178.2526 12 E 3.9913 8.0522 117.9855 59.2440 29.5066 179.1210 13 Q 3.9412 8.0154 117.6184 59.1003 28.6760 178.5538 14 A 3.8615 7.6179 120.2467 55.0722 17.8658 179.0131 15 N 4.3835 7.8461 115.1908 56.8608 39.1780 177.3777 16 G 3.8806 8.1905 106.4503 46.9704 0.0000 175.0226 17 E 4.8436 8.5159 123.6972 58.8369 29.3005 178.6480 18 R 3.7644 7.3501 116.9683 57.9309 29.8038 176.8429 19 W 4.9766 7.9217 117.4765 56.7091 29.8647 176.0304 20 D 4.7496 8.5699 118.2768 54.0503 41.8715 178.8374 21 G 3.9242 7.8799 108.8571 46.6715 0.0000 175.1208 22 G 3.6421 8.7619 111.8206 47.8115 0.0000 174.7521 23 S 4.2560 7.7522 114.7550 57.0672 63.5012 172.3722 24 G 4.3700 7.9733 104.9760 43.8055 0.0000 173.9191 25 G 4.0667 8.3084 106.6954 44.9074 0.0000 173.1425 26 I 3.9113 7.9022 120.4282 60.7044 38.3778 175.5418 27 T 4.0398 8.6509 124.6537 64.2662 68.8562 173.3141 28 S 4.1725 8.1911 118.3780 55.6959 65.6576 172.2186 29 P 4.3048 0.0000 0.0000 64.5226 31.4501 177.0420 30 F 5.1600 7.4971 116.6106 56.9206 39.7347 175.6291 31 K 4.6889 9.3042 122.2404 56.0237 32.8001 176.1949 32 L 4.8172 7.7919 118.5638 51.9196 45.3294 174.6027 33 P 4.3934 0.0000 0.0000 62.3984 31.8265 175.6500 34 D 4.4531 8.3397 118.8863 55.0014 41.5638 175.4991 35 E 4.8433 8.7655 121.5739 55.8865 31.0649 176.3431 36 S 3.9413 8.6899 115.9171 58.0301 63.3396 173.1577 37 P 4.5932 0.0000 0.0000 62.2056 32.1864 176.8145 38 S 4.4511 8.3668 114.8501 57.7004 65.3682 174.8448 39 W 4.5291 8.8593 131.8417 61.2124 30.2821 178.1888 40 T 3.6200 7.9215 114.9672 66.7032 67.8144 176.1374 41 E 4.0742 8.0542 119.4307 59.3775 29.7628 177.5653 42 W 4.2553 8.4783 129.8900 59.4273 30.5280 177.5757 43 R 3.6092 8.9242 115.5809 59.6095 28.7326 178.7655 44 L 3.8809 7.7255 119.9572 58.0109 42.4757 178.0263 45 Y 4.0933 8.2503 119.8941 59.7034 39.5013 175.5588 46 N 4.8559 7.1688 118.7642 52.0681 37.7027 174.8411 47 D 4.6323 7.1624 113.9172 54.0107 46.4338 176.4534 48 E 3.6250 7.6890 119.1610 57.3227 28.5508 176.2187 *55 N 4.5451 8.6090 111.0598 52.1529 40.7077 172.6546 56 P 4.5179 0.0000 0.0000 63.1185 32.4174 176.2374 57 L 3.9393 8.9270 123.1978 57.7300 42.7258 176.3038 58 G 4.2559 7.4399 104.3340 45.3707 0.0000 171.0272 59 F 5.1598 7.3572 114.6801 54.9321 42.2410 173.7002 60 K 5.0224 8.6943 119.1145 54.6581 35.4544 174.5088 61 E 5.3100 9.2768 123.4519 55.3948 33.7829 173.8610 62 S 5.3094 8.3259 113.3789 57.1829 66.9161 173.1196 63 W 4.9615 9.4290 121.4891 54.8521 32.6901 174.6712 64 G 4.1120 9.1954 111.0086 44.6128 0.0000 171.6707 65 F 5.0445 8.9868 124.9206 54.5828 39.3210 177.2361 66 G 4.0984 9.2889 117.9014 46.3151 0.0000 174.7499 67 K 3.9992 8.7673 126.3816 57.5845 32.4212 176.8236 68 V 3.5943 7.2787 118.8552 61.8453 29.8413 173.5956 69 V 4.5976 7.5506 124.5763 60.8821 33.1350 174.9471 70 F 5.0792 9.5188 125.3694 55.7971 42.0564 174.5536 71 K 5.3637 8.6832 119.9388 55.2524 36.4846 175.7097 72 R 4.5326 8.6744 119.2926 55.0472 35.1504 173.5182 73 Y 4.7126 8.8558 123.9756 55.6797 41.5750 174.1541 74 L 4.8660 7.2312 126.1316 52.5514 45.1425 176.3181 75 R 4.6153 8.8967 122.6251 56.5967 30.8223 175.9634 76 Y 4.8434 8.9883 124.3944 56.5164 42.1427 174.4423 77 D 4.5857 8.4538 125.8909 52.9396 39.6614 177.6248 78 R 3.3292 6.1013 115.5060 56.8985 27.9474 176.3322 79 T 4.3441 8.0013 109.4762 60.6403 70.3034 175.8420 80 E 3.9570 8.8411 121.3126 59.4962 29.4770 179.2663 81 A 4.0083 8.0358 120.2317 55.4478 18.4619 179.3792 82 S 4.1396 8.1425 111.4428 61.3846 62.4381 176.0098 83 L 4.0127 8.6161 123.4039 58.6625 41.6776 178.3728 84 H 4.1110 8.2180 116.7034 59.2083 29.9917 176.8944 85 R 3.9983 8.1170 120.3351 59.7155 30.0513 179.0763 86 V 3.8144 7.8890 111.7599 63.8759 31.3295 178.2506 87 L 4.0503 7.8249 117.9055 56.3585 41.4228 177.7642 88 G 3.8576 7.3473 106.8507 45.1207 0.0000 174.5089 89 S 4.3388 7.9758 117.2571 60.9193 62.4793 173.8892 90 W 5.3500 7.2183 113.9818 54.8645 30.5136 173.1408 91 T 4.7242 9.1365 109.5184 59.0801 72.7844 175.0434 92 G 3.6974 8.6544 107.2322 48.0350 0.0000 175.5301 93 D 4.3185 8.0383 121.0432 57.2158 41.0831 178.7248 94 S 4.1909 8.3340 115.0167 61.6555 62.7664 176.7741 95 V 3.2362 8.0131 121.8417 65.4761 31.1861 177.8762 96 N 4.1817 8.5302 116.6449 56.3332 38.1832 176.6761 97 Y 3.8964 8.1114 119.8327 60.7535 38.7130 177.8733 98 A 3.6742 7.6705 120.7950 54.7008 18.3292 179.5273 99 A 3.1367 7.2628 119.6648 54.9697 18.2803 179.7991 100 S 3.8971 7.7261 112.7589 61.8176 62.5490 176.9310 101 R 3.5102 6.8298 118.7149 57.4585 29.7295 177.0862 102 F 4.8052 7.4740 114.5274 56.6626 40.5731 174.6348 103 L 4.6107 7.3461 121.7108 53.1412 42.9747 177.2751 104 G 3.8971 8.4104 116.1660 45.5765 0.0000 173.3417 105 A 4.2971 8.5712 124.5706 52.5601 19.1044 177.0376 106 N 4.8680 7.7270 113.3540 51.7479 40.9003 173.4965 107 Q 5.2244 8.1900 120.1451 54.2284 30.8427 174.7750 108 V 4.6341 8.1833 117.4247 59.1681 36.9348 174.6871 109 G 4.0511 8.6373 109.4205 46.6506 0.0000 172.5867 110 C 5.5659 9.0269 121.8755 58.5849 32.4042 173.0995 111 T 4.8369 8.5019 115.6200 62.7561 73.3980 172.1433 112 Y 4.2188 8.5209 126.1102 55.4588 42.0631 174.1308 113 S 4.6424 7.5405 120.0851 56.5029 66.4154 172.3219 114 I 5.0670 8.5159 126.1175 59.1846 41.5717 173.7122 115 R 5.1731 8.8471 127.5850 54.6967 33.1812 173.6575 116 F 5.0406 9.5612 127.0405 57.9271 43.5290 174.1051 117 R 3.1952 9.2056 123.6026 57.0435 27.8141 176.2133 118 G 4.3105 8.5027 107.7286 45.6715 0.0000 175.3359 119 V 3.7340 7.2550 119.3208 62.3509 32.1083 174.5968 120 S 4.9672 8.4826 120.1524 56.3408 64.9310 172.7794 121 V 4.4521 8.8684 127.8824 61.3945 33.7738 174.2670 122 T 4.8750 8.4496 123.4629 61.8209 71.5450 173.0602 123 I 4.6216 8.8300 127.9029 59.6475 39.4015 175.0117 124 S 4.9745 8.0458 119.8722 56.8342 66.1640 173.3846 125 G 3.9903 7.9162 107.9553 46.1375 0.0000 172.3179 126 G 4.1887 7.9844 108.6271 44.9643 0.0000 174.9741 127 S 4.2645 8.7434 117.6508 61.3949 63.0504 177.7357 128 R 4.0190 8.2961 119.4197 58.6607 29.3530 182.9913 129 T 4.5389 7.9684 106.3089 61.9848 69.0164 175.9488 130 L 3.9519 7.7215 125.7072 59.0507 41.9286 179.0103 131 Q 3.9938 8.0174 118.7465 59.5716 29.1344 177.7971 132 H 4.4340 8.1604 116.7696 58.8233 28.7380 177.5383 133 L 4.1181 8.2784 121.0975 58.1877 41.4617 179.4333 134 C 4.5575 8.3650 116.6412 62.7243 28.1466 176.0848 135 E 4.0611 8.1821 119.9228 59.6629 29.1366 179.1889 136 M 4.0908 8.2897 118.5108 58.3268 31.9505 178.6884 137 A 4.0111 8.4813 121.3183 55.2557 18.6536 179.5648 138 I 3.5864 8.1302 117.2013 64.1028 37.9547 178.4600 139 R 3.8969 7.9960 118.7562 59.3112 29.9662 178.9834 140 S 4.1175 8.5106 115.3681 61.4877 62.8782 176.4253 141 K 3.7819 8.3863 122.7475 59.8687 31.6702 178.7157 142 Q 3.9021 7.6574 115.8297 59.1027 28.7021 178.0326 143 E 4.0716 8.3484 120.5848 59.2104 29.3657 178.8762 144 L 3.9854 8.0687 119.3015 58.1929 42.2229 178.4029 145 L 4.2101 7.7079 116.0434 55.6970 41.6399 177.3540 146 Q 4.7325 7.7328 117.1647 55.2534 29.7206 175.4473 147 L 4.0016 8.6122 118.6627 56.1008 42.0652 177.4482 148 T 3.5808 7.8330 118.1649 61.3180 66.5798 170.9181 149 P 4.2343 0.0000 0.0000 62.6372 31.8502 177.1854 150 V 3.4342 8.5723 120.6028 66.2497 31.7595 176.8271 151 E 4.0493 8.3832 118.0064 59.3584 29.4351 177.1835 152 V 3.8789 7.1667 120.6168 62.9595 31.4994 175.3660 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 N 8.42 4.72 0.00 2.48 2.66 0.00 0.00 6.64 7.17 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 9 D 8.18 4.98 0.00 2.87 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 10 T 8.05 3.96 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 1.34 0.00 0.00 11 R 7.77 3.75 0.00 1.80 1.92 0.00 3.19 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 12 E 8.05 3.99 0.00 2.18 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 2.39 2.38 0.00 13 Q 8.02 3.94 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 14 A 7.62 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.85 4.38 0.00 2.90 3.02 0.00 0.00 7.02 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 16 G 8.19 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 17 E 8.52 4.84 0.00 2.24 2.33 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 2.48 2.64 0.00 18 R 7.35 3.76 0.00 1.44 1.00 0.00 2.82 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 19 W 7.92 4.98 0.00 3.26 3.14 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 0.00 0.00 0.00 0.00 20 D 8.57 4.75 0.00 2.81 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 21 G 7.88 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 22 G 8.76 3.64 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 0.00 0.00 0.00 23 S 7.75 4.26 0.00 4.03 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 24 G 7.97 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 25 G 8.31 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 26 I 7.90 3.91 2.02 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.17 1.10 0.00 0.00 27 T 8.65 4.04 4.13 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 0.00 0.00 0.00 1.21 0.00 0.00 28 S 8.19 4.17 0.00 3.86 3.69 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 29 P 0.00 4.30 0.00 1.21 1.57 0.00 2.90 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 1.74 0.00 30 F 7.50 5.16 0.00 3.14 3.01 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 0.00 0.00 0.00 31 K 9.30 4.69 0.00 1.75 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 32 L 7.79 4.82 0.00 1.60 1.53 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.39 0.00 2.20 2.09 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 34 D 8.34 4.45 0.00 2.44 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.77 4.84 0.00 2.13 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 2.26 2.43 0.00 36 S 8.69 3.94 0.00 4.11 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 37 P 0.00 4.59 0.00 2.28 2.06 0.00 3.27 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 38 S 8.37 4.45 0.00 4.13 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 39 W 8.86 4.53 0.00 3.38 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.92 3.62 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 1.12 0.00 0.00 41 E 8.05 4.07 0.00 2.03 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 2.39 2.38 0.00 42 W 8.48 4.26 0.00 3.69 3.59 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 43 R 8.92 3.61 0.00 2.15 2.55 0.00 2.66 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 44 L 7.73 3.88 0.00 1.78 1.79 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.25 4.09 0.00 3.18 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 46 N 7.17 4.86 0.00 2.24 2.42 0.00 0.00 6.79 7.95 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 47 D 7.16 4.63 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.62 0.00 1.73 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 2.06 2.12 0.00 *55 N 8.61 4.55 0.00 2.81 2.87 0.00 0.00 6.83 8.02 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 56 P 0.00 4.52 0.00 2.29 2.19 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.11 0.00 57 L 8.93 3.94 0.00 1.39 1.81 -0.13 0.92 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 58 G 7.44 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 0.00 0.00 0.00 0.00 59 F 7.36 5.16 0.00 3.28 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 60 K 8.69 5.02 0.00 1.92 1.70 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.52 7.81 61 E 9.28 5.31 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.59 0.00 62 S 8.33 5.31 0.00 4.00 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 63 W 9.43 4.96 0.00 3.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.20 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 0.00 0.00 0.00 65 F 8.99 5.04 0.00 3.14 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 66 G 9.29 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 67 K 8.77 4.00 0.00 1.72 1.81 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.38 7.81 68 V 7.28 3.59 1.84 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 -0.05 0.00 0.00 0.81 0.00 0.00 69 V 7.55 4.60 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 0.84 0.00 0.00 0.85 0.00 0.00 70 F 9.52 5.08 0.00 3.18 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 71 K 8.68 5.36 0.00 1.49 1.60 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 72 R 8.67 4.53 0.00 0.93 1.28 0.00 2.92 0.00 0.00 2.79 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.50 0.00 73 Y 8.86 4.71 0.00 3.04 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 74 L 7.23 4.87 0.00 0.55 1.19 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.90 4.62 0.00 1.74 1.91 0.00 3.45 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 76 Y 8.99 4.84 0.00 3.11 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 77 D 8.45 4.59 0.00 2.79 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 78 R 6.10 3.33 0.00 1.85 2.06 0.00 3.34 0.00 0.00 2.49 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 79 T 8.00 4.34 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 1.29 0.00 0.00 80 E 8.84 3.96 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 2.42 2.41 0.00 81 A 8.04 4.01 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 82 S 8.14 4.14 0.00 4.04 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 83 L 8.62 4.01 0.00 2.04 1.94 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.22 4.11 0.00 3.17 3.52 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.12 4.00 0.00 1.98 2.14 0.00 3.18 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 1.66 1.69 0.00 86 V 7.89 3.81 2.35 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 0.89 0.00 0.00 0.89 0.00 0.00 87 L 7.82 4.05 0.00 1.66 1.54 0.88 0.64 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 88 G 7.35 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 89 S 7.98 4.34 0.00 4.19 4.14 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 0.00 0.00 0.00 0.00 90 W 7.22 5.35 0.00 3.57 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 9.14 4.72 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 1.15 0.00 0.00 92 G 8.65 3.70 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 93 D 8.04 4.32 0.00 2.69 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 94 S 8.33 4.19 0.00 4.07 4.16 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 95 V 8.01 3.24 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 -0.09 0.00 0.00 0.14 0.00 0.00 96 N 8.53 4.18 0.00 2.89 2.80 0.00 0.00 6.66 7.49 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 97 Y 8.11 3.90 0.00 2.83 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 98 A 7.67 3.67 1.03 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 99 A 7.26 3.14 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 0.00 100 S 7.73 3.90 0.00 3.87 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 0.00 101 R 6.83 3.51 0.00 0.99 1.02 0.00 2.92 0.00 0.00 2.94 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.19 0.00 102 F 7.47 4.81 0.00 2.98 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 0.00 103 L 7.35 4.61 0.00 1.73 1.60 0.95 0.97 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 0.00 104 G 8.41 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 0.00 0.00 0.00 105 A 8.57 4.30 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 0.00 106 N 7.73 4.87 0.00 2.73 2.77 0.00 0.00 6.83 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 0.00 107 Q 8.19 5.22 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 108 V 8.18 4.63 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 0.73 0.00 0.00 1.02 0.00 0.00 109 G 8.64 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 0.00 110 C 9.03 5.57 0.00 2.92 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 0.00 111 T 8.50 4.84 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 1.04 0.00 0.00 112 Y 8.52 4.22 0.00 1.43 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 0.00 113 S 7.54 4.64 0.00 3.60 3.29 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 0.00 114 I 8.52 5.07 1.78 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.40 0.93 0.00 0.00 115 R 8.85 5.17 0.00 1.91 1.77 0.00 3.19 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 116 F 9.56 5.04 0.00 3.09 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 0.00 117 R 9.21 3.20 0.00 1.56 1.73 0.00 2.99 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 118 G 8.50 4.31 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 0.00 119 V 7.25 3.73 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 1.00 0.00 0.00 0.94 0.00 0.00 120 S 8.48 4.97 0.00 3.81 3.67 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 0.00 121 V 8.87 4.45 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 1.01 0.00 0.00 0.95 0.00 0.00 122 T 8.45 4.87 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 1.16 0.00 0.00 123 I 8.83 4.62 1.84 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 1.36 1.01 0.94 0.00 0.00 124 S 8.05 4.97 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 0.00 125 G 7.92 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 0.00 126 G 7.98 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.74 4.26 0.00 4.10 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 0.00 128 R 8.30 4.02 0.00 1.87 1.89 0.00 3.25 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 129 T 7.97 4.54 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 1.25 0.00 0.00 130 L 7.72 3.95 0.00 1.94 1.77 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.02 3.99 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 132 H 8.16 4.43 0.00 3.42 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.28 4.12 0.00 2.04 1.92 1.04 1.04 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 0.00 134 C 8.37 4.56 0.00 3.30 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 0.00 135 E 8.18 4.06 0.00 2.25 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 2.38 2.42 0.00 136 M 8.29 4.09 0.00 2.07 2.24 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 2.64 2.82 0.00 137 A 8.48 4.01 1.04 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 0.00 0.00 138 I 8.13 3.59 1.78 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.04 1.00 0.00 0.00 139 R 8.00 3.90 0.00 2.08 1.96 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 140 S 8.51 4.12 0.00 3.91 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 0.00 141 K 8.39 3.78 0.00 2.03 1.99 0.00 1.96 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.26 7.81 142 Q 7.66 3.90 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 143 E 8.35 4.07 0.00 2.04 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 2.33 2.41 0.00 144 L 8.07 3.99 0.00 1.63 1.87 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.71 4.21 0.00 1.38 1.17 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.73 4.73 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 147 L 8.61 4.00 0.00 1.72 1.66 0.97 0.97 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 0.00 148 T 7.83 3.58 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 0.00 149 P 0.00 4.23 0.00 2.40 2.25 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 150 V 8.57 3.43 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 0.80 0.00 0.00 0.95 0.00 0.00 151 E 8.38 4.05 0.00 1.98 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 0.00 2.33 2.40 0.00 152 V 7.17 3.88 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 0.73 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.