NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1604 8.0249 120.7872 60.8200 39.1812 174.6544 3 Q 4.5274 8.4155 124.2694 52.3132 32.1873 173.3372 4 S 4.9652 9.1406 116.1467 56.7378 67.2171 173.0045 5 Q 4.6234 8.7631 121.1732 54.6905 30.1546 175.8996 6 I 4.4575 8.1514 110.8563 60.1313 39.2117 174.7822 7 N 4.9225 7.8366 120.3247 51.0273 41.1341 174.8845 8 R 4.0020 8.6044 123.0177 59.1291 29.5060 178.3804 9 N 4.3878 9.0453 117.7398 55.7449 38.3840 177.4022 10 I 3.6898 7.4850 121.9026 64.5788 37.2036 178.5782 11 R 4.0613 7.8909 118.1103 58.8211 30.1310 178.8522 12 L 4.0479 8.1710 119.1434 57.5326 41.6295 179.1199 13 D 4.3554 8.3585 119.3661 57.1265 40.7147 178.3913 14 L 3.9187 7.9542 120.6647 58.1245 42.0116 178.7100 15 A 4.1442 8.3295 121.0261 55.5620 18.2924 179.3969 16 D 4.2981 8.1364 116.7539 57.3338 40.8464 178.8833 17 A 4.0095 7.9871 121.2009 55.0852 18.4034 179.6758 18 I 3.6442 8.1704 118.7088 64.6407 37.2601 178.5790 19 L 4.0210 8.2288 120.0442 57.7900 41.4390 179.4433 20 L 3.9498 8.0446 120.2009 58.0204 42.0297 178.9362 21 S 4.0312 8.1920 113.1332 61.2730 62.3935 175.7997 22 K 3.7433 8.4686 122.4541 59.6968 31.9024 178.4864 23 A 3.9646 8.0807 120.7470 55.0935 18.0648 179.7821 24 K 3.9558 8.0009 116.1429 59.2045 32.2276 178.9608 25 K 4.1484 8.0287 116.1259 55.6536 32.7634 175.9788 26 D 4.3019 7.6373 117.6518 55.1252 39.9653 173.1856 27 L 4.6523 7.7363 116.7672 53.5544 43.6717 177.3280 28 S 4.6298 8.1758 115.4875 56.8784 66.5516 175.3525 29 F 4.2096 8.3247 121.2645 60.5537 38.8002 177.7695 30 A 4.0765 8.1227 120.1162 55.3923 18.0358 179.4304 31 E 4.5026 8.1860 117.4450 58.9859 29.5570 179.3055 32 I 3.8496 7.6444 119.1534 64.2102 37.6460 177.8295 33 A 4.2610 8.2134 120.4518 52.7753 18.7634 177.2138 34 D 4.5197 7.4285 118.5467 55.8014 41.3235 177.7065 35 G 4.0626 9.0393 112.1802 45.5206 0.0000 174.2369 36 T 4.0625 7.6073 108.5308 62.0388 69.3939 176.2853 37 G 3.9434 8.4647 108.6965 45.2320 0.0000 172.7025 38 L 4.7565 7.5320 118.0812 51.8431 44.9365 176.9965 39 A 4.1779 8.2928 122.8257 52.0023 20.2691 178.4444 40 E 3.8906 8.9188 122.7578 59.6020 29.6675 179.4851 41 A 3.9126 7.9572 120.2030 54.8473 18.4906 179.3387 42 F 3.8684 8.0972 118.7826 61.4816 39.6191 177.5481 43 V 3.6265 8.1440 118.0488 66.1817 31.3071 178.0959 44 T 3.7370 8.1860 115.5695 66.5497 68.2153 176.3563 45 A 3.8219 7.7811 122.4048 54.9990 18.3136 179.5486 46 A 4.1376 7.5489 120.4215 54.8380 18.2490 179.7523 47 L 4.0109 7.8096 116.3301 57.7703 41.7343 178.8598 48 L 4.4639 7.6790 116.2104 54.5857 41.6114 177.5198 49 G 3.9343 8.0939 107.0938 45.5544 0.0000 174.3678 50 Q 4.5159 8.1687 116.1098 55.4217 30.0168 174.7934 51 Q 4.6110 7.4371 115.9398 54.5285 33.8756 172.8329 52 A 4.9084 8.4785 121.7851 50.4632 21.0532 176.4468 53 L 4.6826 8.8041 122.4168 52.8697 43.6675 175.2621 54 P 4.5006 0.0000 0.0000 62.2887 32.3388 177.1749 55 A 4.0048 8.8400 122.7760 55.9301 18.2063 180.1441 56 D 4.2847 8.1100 116.3478 57.3031 40.8440 178.7296 57 A 4.0491 8.0225 120.8588 54.8350 18.4265 179.3128 58 A 3.9529 8.3259 119.6591 55.5131 18.4394 180.1257 59 R 3.8696 8.2732 116.7750 59.0661 30.1774 179.0380 60 L 3.9362 8.0194 120.1320 58.4611 42.1655 179.6155 61 V 3.7919 8.2101 112.7310 64.0042 31.3356 178.6784 62 G 3.6801 8.3357 105.6017 47.9952 0.0000 175.5474 63 A 4.0046 8.1854 123.7712 54.6679 18.1522 179.8565 64 K 3.9445 7.8872 115.9071 58.8788 32.2084 178.5538 65 L 4.4097 7.7080 116.0528 53.1506 42.6556 175.6393 66 D 4.3464 7.5635 117.6749 55.0968 40.0537 173.5566 67 L 4.3274 7.9642 117.4866 54.1053 43.0302 177.8075 68 D 4.7147 8.2761 121.6490 52.7179 42.0143 177.3614 69 E 4.0006 8.5924 119.0744 59.6854 29.3053 179.3994 70 D 4.3904 8.0378 118.5185 57.4509 40.9537 178.8102 71 S 4.1507 8.8671 116.1820 61.6308 62.5818 176.8002 72 I 3.7744 7.6389 121.7777 64.0938 37.0632 177.9731 73 L 4.2694 7.9317 121.4295 58.1437 41.7447 178.9975 74 L 4.0569 8.1100 118.3115 57.6737 41.7443 179.2288 75 L 4.1414 8.1053 118.7151 56.6533 42.5331 177.4086 76 Q 4.8048 7.4285 119.7471 53.8350 27.5235 175.3627 *78 I 4.0887 7.2431 119.3103 60.5503 39.3289 175.3404 79 P 4.7562 0.0000 0.0000 62.0060 33.1844 175.8703 80 L 4.3618 8.2728 122.8997 53.9744 41.5178 176.3794 81 R 4.1566 8.3380 124.9701 55.6030 30.9628 175.0909 82 G 3.0188 8.2725 107.1836 44.8987 0.0000 173.3707 83 C 4.3222 8.1718 122.3448 58.3203 30.7069 174.1234 84 I 4.1248 7.4828 122.0219 60.1338 37.7256 174.6467 85 D 4.4903 8.9100 125.7486 57.1179 41.4553 176.7377 86 D 4.6445 7.3537 114.8970 53.1621 41.5614 173.9743 87 R 4.3180 8.2296 126.8851 56.4048 29.3037 177.1921 88 I 4.1325 7.1572 115.9656 58.2808 39.4168 173.9456 89 P 4.4612 0.0000 0.0000 63.0078 31.7945 176.2265 90 T 4.3168 8.2123 109.7969 62.4070 70.1157 174.8685 91 D 4.5165 7.9765 121.9319 53.2386 42.1602 173.8762 92 P 4.5006 0.0000 0.0000 66.3204 31.5058 178.9380 93 T 3.8319 7.6213 109.0858 64.9519 67.9462 174.3451 *95 Y 4.6349 7.9050 125.0805 57.6921 40.4228 177.2230 96 R 3.9485 8.0512 117.7698 59.4201 30.0550 178.7216 97 F 4.1235 7.9681 116.3389 60.4237 39.1985 176.5590 98 Y 4.1199 7.9281 118.8817 60.2109 38.8339 178.4562 99 E 3.9786 7.9521 122.4061 55.6238 29.4047 178.2641 *101 L 4.1760 7.9464 120.8682 54.8750 44.0812 178.3369 102 Q 3.7896 7.6446 116.8660 58.4624 28.5054 178.4844 103 V 3.6808 7.6480 118.3905 64.9511 32.1109 176.8054 104 Y 4.5750 7.4652 113.0927 57.4525 38.5941 177.5424 105 G 3.6928 8.2750 109.6004 48.1266 0.0000 176.1923 106 T 4.0159 7.8126 111.6298 64.6677 68.9688 176.9055 107 T 3.8968 7.8967 118.1711 66.3543 68.4618 176.3305 108 L 4.0016 8.4751 121.3728 57.6029 41.6400 179.2060 109 K 3.7432 8.1590 119.2363 59.5976 32.0634 178.4153 110 A 4.0325 8.1686 120.7752 55.4483 18.2887 179.7081 111 L 3.9903 8.3560 117.7049 57.6136 41.5811 179.9323 112 V 3.8335 8.2109 118.9270 66.4215 31.3510 177.8860 113 H 5.1180 8.3081 117.4154 58.4176 28.3078 177.4698 114 E 3.9462 8.2652 120.4634 59.1880 29.5719 178.6272 115 K 3.9586 8.1962 117.6443 57.9193 32.2324 177.5306 116 F 4.1077 8.3753 115.5446 59.7032 41.1583 174.1576 117 G 3.8875 7.4363 104.7841 43.3702 0.0000 172.3820 118 D 4.6340 8.7416 118.5742 54.7981 42.1655 175.6118 119 G 4.1337 7.9053 110.4364 45.2386 0.0000 172.5302 120 I 4.7944 8.2553 113.9484 59.3524 41.7695 174.5016 121 I 4.5719 8.1441 123.9613 60.0664 37.9235 175.9155 122 S 4.2308 9.1505 122.9743 58.3400 62.8560 173.7240 123 A 3.9731 8.4759 127.2824 51.9539 19.3747 176.9446 124 I 4.2552 7.6833 116.1485 63.3029 39.1154 176.4726 125 N 4.7737 8.0902 123.9996 52.1926 37.9543 172.5911 126 F 5.3806 8.2141 123.4501 56.8315 42.7585 172.4381 127 K 4.4766 7.8789 123.0932 55.4230 36.1575 174.4535 128 L 5.6074 8.2168 120.2184 53.2558 43.9959 174.8272 129 D 4.7677 8.2718 117.2885 52.2068 43.0576 173.8815 130 V 4.8217 8.3134 119.1934 61.1625 33.8243 174.7120 131 K 4.7410 8.9958 126.7176 54.4351 35.8895 174.8285 132 K 4.9725 8.6149 124.4589 55.1797 33.7827 175.9006 133 V 4.6437 8.5540 119.4751 59.2585 35.7338 175.0043 134 A 4.4138 8.6495 125.9834 51.9866 19.4186 176.2743 135 D 4.7311 8.8938 121.5656 52.4785 42.2160 175.9910 136 P 4.2470 0.0000 0.0000 65.7908 31.4918 176.9409 137 E 4.1675 8.5838 116.5265 55.9570 29.6025 176.3784 138 G 3.9917 8.5770 109.0391 45.9484 0.0000 174.9943 139 G 3.8525 9.5378 109.6655 43.9185 0.0000 171.5178 140 E 5.1655 8.2597 116.2427 54.7458 33.7404 175.4248 141 R 4.8359 9.3062 120.1413 54.4174 34.5020 174.1379 142 A 5.1855 8.5661 122.5526 50.3770 21.4493 176.6359 143 V 4.2015 8.8756 122.6061 61.3962 33.5299 174.3051 144 I 4.9070 8.3823 129.1899 59.9612 39.1029 175.3140 145 T 4.5490 8.7410 124.7264 61.8203 70.5584 173.5604 146 L 4.7876 8.5646 126.6730 53.1476 43.6863 175.7223 147 D 4.6325 8.6075 123.5937 52.4120 43.4682 174.1712 148 G 4.6542 8.5321 111.8272 43.7686 0.0000 170.5933 149 K 4.3440 8.8381 123.7112 56.0786 33.5670 175.4334 150 Y 4.6956 8.5554 128.4142 57.4715 39.7661 174.3731 151 L 4.4769 8.4508 126.8916 51.9391 44.5003 174.3250 152 P 4.5616 0.0000 0.0000 62.8632 32.4176 175.9430 153 T 4.5097 8.6288 119.0582 62.3025 69.7833 174.1983 154 K 4.7175 8.4905 125.5308 53.4478 35.2740 174.5874 155 P 4.3971 0.0000 0.0000 62.7318 31.9724 176.6616 156 F 4.5720 7.7792 114.4804 57.1171 37.9686 174.8177 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 I 8.02 4.16 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.42 4.53 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.14 4.97 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.76 4.62 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 6 I 8.15 4.46 1.87 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 1.30 0.66 0.91 0.00 0.00 7 N 7.84 4.92 0.00 2.76 2.66 0.00 0.00 6.95 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 8 R 8.60 4.00 0.00 2.06 2.26 0.00 3.11 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 9.05 4.39 0.00 2.80 2.91 0.00 0.00 6.84 7.31 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 10 I 7.48 3.69 1.87 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 1.52 0.88 0.91 0.00 0.00 11 R 7.89 4.06 0.00 1.81 1.95 0.00 3.28 0.00 0.00 3.51 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.17 4.05 0.00 1.68 1.71 0.91 0.85 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 13 D 8.36 4.36 0.00 2.88 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 14 L 7.95 3.92 0.00 1.78 1.83 0.93 1.28 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 15 A 8.33 4.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.14 4.30 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.99 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 3.64 2.04 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 1.54 0.64 0.96 0.00 0.00 19 L 8.23 4.02 0.00 1.82 1.76 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.04 3.95 0.00 1.77 1.81 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.19 4.03 0.00 3.92 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 22 K 8.47 3.74 0.00 1.75 1.94 0.00 1.12 0.00 0.00 1.17 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.27 7.81 23 A 8.08 3.96 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 24 K 8.00 3.96 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 25 K 8.03 4.15 0.00 1.70 1.82 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.54 7.81 26 D 7.64 4.30 0.00 2.79 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 27 L 7.74 4.65 0.00 1.55 1.46 0.87 0.64 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 28 S 8.18 4.63 0.00 4.03 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 29 F 8.32 4.21 0.00 3.24 3.11 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 30 A 8.12 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.50 0.00 2.06 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 2.34 2.21 0.00 32 I 7.64 3.85 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 0.96 0.00 0.00 33 A 8.21 4.26 1.44 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 0.00 0.00 34 D 7.43 4.52 0.00 2.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.61 4.06 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 1.25 0.00 0.00 37 G 8.46 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 38 L 7.53 4.76 0.00 1.71 1.64 1.03 0.64 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 39 A 8.29 4.18 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 40 E 8.92 3.89 0.00 2.08 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 2.43 2.63 0.00 41 A 7.96 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.10 3.87 0.00 3.19 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 43 V 8.14 3.63 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 1.12 0.00 0.00 1.13 0.00 0.00 44 T 8.19 3.74 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 0.24 0.00 0.00 45 A 7.78 3.82 1.17 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 0.00 0.00 46 A 7.55 4.14 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 47 L 7.81 4.01 0.00 1.84 1.84 1.15 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.68 4.46 0.00 1.53 1.63 0.74 0.92 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 49 G 8.09 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 50 Q 8.17 4.52 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.44 4.61 0.00 1.27 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.03 1.48 0.00 52 A 8.48 4.91 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 53 L 8.80 4.68 0.00 1.63 1.65 0.95 0.98 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 54 P 0.00 4.50 0.00 2.20 1.98 0.00 3.72 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 2.12 2.11 0.00 55 A 8.84 4.00 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 56 D 8.11 4.28 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.02 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.33 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.27 3.87 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 60 L 8.02 3.94 0.00 1.87 1.79 0.93 0.81 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 61 V 8.21 3.79 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 0.78 0.00 0.00 1.05 0.00 0.00 62 G 8.34 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 0.00 0.00 0.00 0.00 63 A 8.19 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.89 3.94 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 65 L 7.71 4.41 0.00 1.74 1.68 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.56 4.35 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 67 L 7.96 4.33 0.00 1.67 1.58 0.93 1.34 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 68 D 8.28 4.71 0.00 2.95 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 69 E 8.59 4.00 0.00 2.00 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 2.40 2.35 0.00 70 D 8.04 4.39 0.00 2.76 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 71 S 8.87 4.15 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.64 3.77 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 1.57 0.47 0.92 0.00 0.00 73 L 7.93 4.27 0.00 1.88 1.87 0.93 0.64 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 74 L 8.11 4.06 0.00 1.79 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.11 4.14 0.00 1.88 1.73 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.43 4.80 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.39 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 *78 I 7.24 4.09 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 1.62 0.88 0.92 0.00 0.00 79 P 0.00 4.76 0.00 2.12 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 80 L 8.27 4.36 0.00 1.67 1.65 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.34 4.16 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 82 G 8.27 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 0.00 0.00 0.00 83 C 8.17 4.32 0.00 3.05 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 84 I 7.48 4.12 1.85 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 1.29 0.55 0.89 0.00 0.00 85 D 8.91 4.49 0.00 2.60 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 86 D 7.35 4.64 0.00 2.58 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 87 R 8.23 4.32 0.00 1.99 2.06 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.16 4.13 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.53 0.00 0.00 89 P 0.00 4.46 0.00 2.18 2.04 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 90 T 8.21 4.32 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 1.19 0.00 0.00 91 D 7.98 4.52 0.00 2.68 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 92 P 0.00 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.62 3.83 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 *95 Y 7.91 4.63 0.00 3.20 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 96 R 8.05 3.95 0.00 1.52 1.74 0.00 3.39 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 97 F 7.97 4.12 0.00 3.11 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 98 Y 7.93 4.12 0.00 2.96 2.66 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 99 E 7.95 3.98 0.00 1.94 1.94 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 2.29 2.33 0.00 *101 L 7.95 4.18 0.00 1.68 1.52 0.89 0.77 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 0.00 102 Q 7.64 3.79 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 1.69 2.35 0.00 103 V 7.65 3.68 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 0.21 0.00 0.00 0.83 0.00 0.00 104 Y 7.47 4.57 0.00 3.01 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 0.00 105 G 8.27 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 0.00 0.00 0.00 106 T 7.81 4.02 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 1.20 0.00 0.00 107 T 7.90 3.90 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 108 L 8.48 4.00 0.00 1.82 1.73 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.16 3.74 0.00 1.82 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.46 7.81 110 A 8.17 4.03 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 0.00 111 L 8.36 3.99 0.00 1.78 1.76 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.21 3.83 2.21 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 1.08 0.00 0.00 1.01 0.00 0.00 113 H 8.31 5.12 0.00 3.27 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.27 3.95 0.00 1.97 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 0.00 2.28 2.33 0.00 115 K 8.20 3.96 0.00 1.50 1.13 0.00 1.69 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.48 7.81 116 F 8.38 4.11 0.00 2.45 1.45 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 0.00 117 G 7.44 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.74 4.63 0.00 2.71 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 0.00 119 G 7.91 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 0.00 0.00 0.00 0.00 120 I 8.26 4.79 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.17 0.92 0.00 0.00 121 I 8.14 4.57 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.92 0.00 0.00 122 S 9.15 4.23 0.00 3.89 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 0.00 123 A 8.48 3.97 0.98 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 0.00 124 I 7.68 4.26 1.87 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 1.27 0.95 0.93 0.00 0.00 125 N 8.09 4.77 0.00 2.79 2.74 0.00 0.00 6.74 7.24 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 0.00 126 F 8.21 5.38 0.00 3.14 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 0.00 127 K 7.88 4.48 0.00 1.65 1.68 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.11 1.14 7.81 128 L 8.22 5.61 0.00 1.67 1.49 0.88 0.93 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 0.00 129 D 8.27 4.77 0.00 2.66 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 0.00 130 V 8.31 4.82 2.08 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.00 4.74 0.00 1.72 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.46 7.81 132 K 8.61 4.97 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.47 7.81 133 V 8.55 4.64 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 0.64 0.00 0.00 0.98 0.00 0.00 134 A 8.65 4.41 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 0.00 135 D 8.89 4.73 0.00 2.74 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 0.00 136 P 0.00 4.25 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 137 E 8.58 4.17 0.00 2.07 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 2.34 2.25 0.00 138 G 8.58 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 0.00 139 G 9.54 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.26 5.17 0.00 1.81 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 2.21 2.32 0.00 141 R 9.31 4.84 0.00 1.67 1.78 0.00 3.21 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.57 5.19 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 0.00 143 V 8.88 4.20 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 0.98 0.00 0.00 0.94 0.00 0.00 144 I 8.38 4.91 2.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.96 0.00 0.00 145 T 8.74 4.55 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 1.18 0.00 0.00 146 L 8.56 4.79 0.00 1.66 1.99 1.02 1.18 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 0.00 147 D 8.61 4.63 0.00 2.58 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.53 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.84 4.34 0.00 1.88 1.69 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 150 Y 8.56 4.70 0.00 2.41 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 0.00 151 L 8.45 4.48 0.00 1.40 1.37 0.86 0.75 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 0.00 152 P 0.00 4.56 0.00 2.05 1.92 0.00 3.46 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 153 T 8.63 4.51 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 1.30 0.00 0.00 154 K 8.49 4.72 0.00 1.76 1.73 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.43 7.81 155 P 0.00 4.40 0.00 2.02 1.92 0.00 3.64 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 2.02 2.06 0.00 156 F 7.78 4.57 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.