NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3778 8.2493 123.5837 52.4525 19.9558 176.2489 2 T 4.6932 8.3071 110.2570 59.7866 71.3984 171.9205 3 K 5.3656 8.3782 123.1250 54.8881 37.1505 176.1706 4 A 5.3683 9.0338 123.9948 50.9193 23.3531 175.1722 5 V 4.9856 8.9138 117.6921 60.7657 35.5378 173.5107 6 C 4.9129 9.2207 121.9089 57.9940 35.3597 172.6227 7 V 4.5658 8.4645 125.9828 61.5141 33.0003 174.1564 8 L 4.8672 8.8635 129.1835 53.8773 43.3463 176.1376 9 K 4.9167 8.8686 121.3804 55.8879 37.1319 175.9027 10 G 4.4550 7.9551 108.7026 45.6150 0.0000 172.1991 11 D 4.5786 8.8320 118.3036 55.3783 42.0823 177.1523 12 G 4.2155 7.6499 109.6445 44.3920 0.0000 171.9520 13 P 4.4766 0.0000 0.0000 63.1433 32.1478 176.1904 14 V 4.1805 7.5619 120.7788 63.1530 31.8874 174.9211 15 Q 4.8087 8.4404 124.9192 55.2219 32.4645 173.7348 16 G 4.2438 7.6667 106.6552 46.5871 0.0000 171.4707 17 I 5.1355 7.6420 119.2964 59.3837 40.7230 175.0708 18 I 4.5904 8.7128 126.9754 59.5066 40.5400 174.4530 19 N 5.0208 8.3822 123.7704 51.4595 41.4387 173.8734 20 F 5.4372 8.8036 118.7834 56.0870 43.8780 173.5908 21 E 5.3629 9.4697 121.7544 55.2272 33.9422 174.1178 22 Q 4.8027 9.4997 128.0890 54.9508 31.0552 175.2607 23 K 4.1531 8.9315 127.2186 58.2385 32.8237 177.5909 24 E 4.7310 7.8562 118.9708 53.7647 32.0140 176.6377 25 S 4.4127 8.9115 122.7057 61.7452 63.2271 175.6911 26 N 4.5291 8.1219 116.6406 53.6010 37.8299 179.8381 27 G 3.9785 8.0933 105.4656 44.6605 0.0000 171.5610 28 P 4.5223 0.0000 0.0000 63.1525 32.2906 176.0376 29 V 4.5599 8.8796 123.1844 61.5254 33.3672 175.1929 30 K 4.9371 9.4085 127.9534 56.0969 34.0028 176.1849 31 V 5.0460 9.0106 123.0783 61.2732 35.0742 173.9532 32 W 5.8951 7.6043 123.2747 56.1168 31.8630 175.0124 33 G 3.6228 7.6887 106.4443 45.8895 0.0000 170.9388 34 S 5.0674 7.7315 114.7317 57.0433 66.6079 174.5068 35 I 4.9781 8.8767 126.8978 59.3971 40.9234 174.7931 36 K 4.7326 9.5309 125.9284 55.4514 36.0801 176.6848 37 G 3.6963 8.7653 105.5298 46.0078 0.0000 173.2588 38 L 4.6362 7.5647 119.2603 52.4577 43.7208 176.3644 39 T 4.2987 8.1349 111.0483 60.9561 69.6120 174.1526 40 E 4.0082 8.6297 124.5671 57.7623 30.4402 175.2159 41 G 3.8138 8.5750 110.5080 43.9948 0.0000 171.8337 42 L 4.8433 8.2826 119.3406 54.4930 43.0091 176.4385 43 H 4.8486 9.1647 119.9991 53.5976 32.8774 173.2747 44 G 4.0854 9.1312 111.2402 46.6386 0.0000 172.0877 45 F 5.6710 9.3741 125.4262 56.4757 42.4467 173.8006 46 R 4.8907 8.9358 124.3499 54.5991 35.1710 174.2639 47 V 4.4952 8.6838 122.7281 62.3671 33.1527 174.8040 48 H 5.1991 9.2996 124.9439 54.0280 31.1758 175.3623 49 E 3.6843 8.7662 122.1827 58.9822 29.5037 177.1434 50 F 4.9366 7.9902 118.0601 54.9011 41.4309 176.9524 51 G 4.2032 8.3712 112.7371 44.4357 0.0000 173.9558 52 D 4.8430 7.9565 117.9644 52.6500 42.8041 174.9198 53 N 5.4636 8.6534 124.8630 52.1897 39.6011 177.0728 54 T 3.8965 8.4988 111.5574 63.8503 68.9274 174.3975 55 A 4.6972 7.6642 125.1638 51.4896 20.2867 177.9062 56 G 3.8524 7.8767 109.6762 48.0819 0.0000 176.4741 57 C 4.1872 8.5331 116.1417 62.8155 27.8352 175.6688 58 T 3.9552 7.9542 117.5782 66.3740 67.8426 175.5737 59 S 4.4638 7.8881 112.6575 59.2325 63.8379 175.2031 60 A 4.4724 7.5216 126.4637 53.6991 18.3458 178.6779 61 G 4.1545 7.9745 106.0140 44.0123 0.0000 170.9105 62 P 4.7112 0.0000 0.0000 61.9518 33.7829 175.0693 63 H 4.3491 8.3542 116.6652 55.7921 28.7489 175.5453 64 F 4.2554 8.8807 128.1547 58.6598 40.3604 175.8128 *65 N 4.5953 8.5451 119.6681 52.1202 39.3267 171.0434 *78 E 4.1301 8.1517 118.1226 56.4217 30.7787 175.2881 79 R 4.5186 8.0044 120.2785 55.5811 32.8081 174.0455 80 H 4.8816 9.1755 122.7595 53.5364 31.4775 175.6684 81 V 3.4183 8.3952 121.4701 66.5440 31.1517 177.3802 82 G 3.8530 9.3874 104.4567 47.3244 0.0000 173.3897 83 D 4.9246 8.2110 122.6679 53.2080 39.3357 176.9556 84 L 4.0206 8.3647 121.5971 54.7351 42.4474 177.2505 85 G 4.1982 7.8906 104.0687 44.1328 0.0000 174.1289 86 N 5.5860 8.6623 120.7095 51.3985 42.2286 173.4519 87 V 4.3036 8.8322 115.0000 60.1154 35.1153 174.9770 88 T 5.0373 8.2034 118.4906 61.8670 71.3395 172.9213 89 A 4.8720 8.9123 129.6273 50.7890 20.9035 177.2069 90 D 4.6743 8.7417 122.6981 51.8862 41.3904 177.0979 91 K 4.1149 8.5109 117.2327 59.2777 32.4441 177.0634 92 D 4.5346 8.3108 118.0904 54.2942 41.5103 177.0262 93 G 4.2700 8.8090 108.9278 44.2372 0.0000 172.4364 94 V 4.7300 8.3435 120.0647 60.7970 33.7899 174.3618 95 A 5.3147 8.8658 130.2006 49.6785 20.7890 175.0860 96 D 4.8103 8.6295 122.8187 54.0068 42.2016 176.3456 97 V 4.2925 8.7478 123.9512 61.3018 34.2963 174.9422 98 S 4.6781 8.4598 122.2171 57.9247 63.7127 172.8752 99 I 4.8526 9.1760 120.5989 59.3723 41.5847 173.5783 100 E 5.1909 8.7841 121.7198 54.6540 32.3453 175.0829 101 D 4.8783 9.5382 123.8815 52.1552 44.4905 175.8829 102 S 4.9265 8.8410 120.5163 58.2485 63.7473 174.8349 103 V 4.1073 8.9213 122.3823 65.1975 32.3498 176.3305 104 I 4.2013 7.8926 110.9278 60.7558 38.6043 174.1406 105 S 4.6556 8.4070 114.1125 57.4397 65.3948 173.9598 106 L 4.4816 9.4909 122.8568 54.3017 41.6645 176.2519 107 S 4.4639 7.9420 112.3866 58.0134 66.4746 175.2869 108 G 3.9145 8.5209 108.4626 45.1571 0.0000 173.7104 109 D 4.4351 8.8149 117.4188 57.5381 41.0184 176.7770 110 H 4.9591 8.1430 114.7617 55.6536 28.9343 174.1594 111 C 4.4630 8.0210 120.8929 59.7044 31.8599 173.4277 112 I 3.8532 8.0730 118.7019 60.2431 37.8392 175.5231 113 I 3.7054 7.2342 122.8913 62.9379 37.3530 176.3322 114 G 3.8060 9.3991 113.2065 45.4626 0.0000 173.0135 115 R 4.8841 7.4136 119.4618 54.7575 33.6076 174.5842 116 T 5.0116 8.0012 114.9838 62.1488 71.6578 173.4198 117 L 4.9041 8.6820 128.0971 53.6785 44.2355 175.2899 118 V 4.9745 9.0369 125.6855 61.0228 35.2480 174.1168 119 V 5.0618 8.6135 126.7908 60.5013 33.5667 174.4822 120 H 5.2277 9.1325 122.0181 54.0317 30.4532 174.6115 121 E 4.2126 9.1791 123.0539 58.8461 29.9897 177.3593 122 K 4.5948 7.9566 116.8998 53.8170 34.9927 175.4662 123 A 4.4246 8.3807 125.9524 52.9901 18.9379 177.8443 124 D 4.6475 9.9193 123.4681 53.5538 40.6477 177.9117 *125 D 4.5862 8.5324 121.3729 53.7059 41.2183 175.0367 *142 S 4.3185 7.6700 111.7670 58.4666 64.0261 172.9835 143 R 4.4562 8.4761 125.2837 55.2639 30.1884 176.1972 144 L 4.3371 9.0416 125.7458 57.2812 43.1067 177.0050 145 A 5.0937 7.6527 118.0174 51.2980 23.0040 174.6519 146 C 4.9787 9.0048 113.1683 58.1284 33.5477 172.7869 147 G 4.5599 8.3761 104.7067 46.2186 0.0000 172.6051 148 V 4.4021 8.2561 120.8870 62.1430 32.9112 175.5093 149 I 4.1951 8.8308 129.4659 60.8528 37.9497 175.2594 150 G 4.4063 8.8128 114.6994 43.8388 0.0000 172.1658 151 I 4.3813 8.3344 121.7690 61.2880 37.5689 175.4745 152 A 4.7940 8.7181 128.3711 49.8848 22.2348 176.1660 153 Q 4.0944 8.4767 118.6203 56.3976 29.2187 175.5903 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 1 A 8.25 4.38 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 2 T 8.31 4.69 4.35 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 0.00 0.00 0.00 1.28 0.00 0.00 3 K 8.38 5.37 0.00 1.88 1.74 0.00 1.74 0.00 0.00 2.09 0.00 0.00 3.30 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.55 1.50 7.81 4 A 9.03 5.37 1.14 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 0.00 0.00 5 V 8.91 4.99 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 0.66 0.00 0.00 0.93 0.00 0.00 6 C 9.22 4.91 0.00 3.13 2.88 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 7 V 8.46 4.57 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.86 4.87 0.00 1.64 1.59 1.05 0.41 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 9 K 8.87 4.92 0.00 1.68 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 10 G 7.96 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.83 4.58 0.00 2.68 2.73 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 12 G 7.65 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.48 0.00 2.18 2.16 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 14 V 7.56 4.18 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 0.80 0.00 0.00 0.91 0.00 0.00 15 Q 8.44 4.81 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 16 G 7.67 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 0.00 0.00 0.00 17 I 7.64 5.14 1.81 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 1.31 1.51 0.81 0.00 0.00 18 I 8.71 4.59 1.84 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 1.26 1.37 0.52 0.00 0.00 19 N 8.38 5.02 0.00 1.44 1.42 0.00 0.00 6.43 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 20 F 8.80 5.44 0.00 2.94 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 E 9.47 5.36 0.00 2.45 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 2.32 2.51 0.00 22 Q 9.50 4.80 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 23 K 8.93 4.15 0.00 1.81 1.87 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.46 7.81 24 E 7.86 4.73 0.00 2.06 1.76 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 2.25 1.82 0.00 25 S 8.91 4.41 0.00 4.03 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 26 N 8.12 4.53 0.00 2.77 2.77 0.00 0.00 6.65 7.51 0.00 0.00 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 G 8.09 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 28 P 0.00 4.52 0.00 1.98 2.06 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 29 V 8.88 4.56 2.24 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 1.28 0.00 0.00 1.07 0.00 0.00 30 K 9.41 4.94 0.00 1.88 1.80 0.00 1.58 0.00 0.00 1.42 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.43 7.81 31 V 9.01 5.05 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 0.83 0.00 0.00 1.12 0.00 0.00 32 W 7.60 5.90 0.00 3.50 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 33 G 7.69 3.62 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 0.00 0.00 0.00 34 S 7.73 5.07 0.00 3.82 3.62 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 I 8.88 4.98 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.48 0.95 0.00 0.00 36 K 9.53 4.73 0.00 1.74 1.89 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.34 7.81 37 G 8.77 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 38 L 7.56 4.64 0.00 1.65 1.37 0.81 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.13 4.30 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 1.24 0.00 0.00 40 E 8.63 4.01 0.00 1.95 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 0.00 2.30 2.47 0.00 41 G 8.58 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.28 4.84 0.00 1.50 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.16 4.85 0.00 3.04 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.13 4.09 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 0.00 0.00 0.00 45 F 9.37 5.67 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.94 4.89 0.00 1.81 1.60 0.00 2.84 0.00 0.00 2.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 47 V 8.68 4.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.87 0.00 0.00 48 H 9.30 5.20 0.00 3.02 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.77 3.68 0.00 1.70 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 1.47 2.03 0.00 50 F 7.99 4.94 0.00 3.17 2.84 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 51 G 8.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.96 4.84 0.00 2.63 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 53 N 8.65 5.46 0.00 2.77 2.73 0.00 0.00 7.37 7.05 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 54 T 8.50 3.90 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 1.23 0.00 0.00 55 A 7.66 4.70 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 56 G 7.88 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 57 C 8.53 4.19 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.95 3.96 4.36 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 1.23 0.00 0.00 59 S 7.89 4.46 0.00 4.12 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.52 4.47 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 61 G 7.97 4.15 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 0.00 62 P 0.00 4.71 0.00 2.05 2.21 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 63 H 8.35 4.35 0.00 2.60 3.10 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.88 4.26 0.00 2.85 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 *65 N 8.55 4.60 0.00 2.53 2.62 0.00 0.00 6.89 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 E 8.15 4.13 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 79 R 8.00 4.52 0.00 1.66 1.69 0.00 3.19 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 80 H 9.18 4.88 0.00 3.22 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.40 3.42 1.50 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 0.57 0.00 0.00 0.50 0.00 0.00 82 G 9.39 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 83 D 8.21 4.92 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.02 0.00 1.89 1.95 1.01 0.78 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 85 G 7.89 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.66 5.59 0.00 2.58 2.70 0.00 0.00 6.66 7.68 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 87 V 8.83 4.30 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.83 0.00 0.00 88 T 8.20 5.04 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 1.20 0.00 0.00 89 A 8.91 4.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.74 4.67 0.00 2.91 2.84 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 91 K 8.51 4.11 0.00 1.88 2.11 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.31 4.53 0.00 2.79 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 93 G 8.81 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.34 4.73 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 0.99 0.00 0.00 0.92 0.00 0.00 95 A 8.87 5.31 1.14 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 0.00 0.00 96 D 8.63 4.81 0.00 2.56 2.61 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 0.00 97 V 8.75 4.29 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 0.84 0.00 0.00 0.66 0.00 0.00 98 S 8.46 4.68 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.18 4.85 1.94 0.00 0.00 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 1.50 0.76 0.96 0.00 0.00 100 E 8.78 5.19 0.00 1.86 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 2.23 2.28 0.00 101 D 9.54 4.88 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.84 4.93 0.00 4.01 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 0.00 103 V 8.92 4.11 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 0.84 0.00 0.00 0.95 0.00 0.00 104 I 7.89 4.20 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 1.04 0.00 0.00 105 S 8.41 4.66 0.00 3.84 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 0.00 106 L 9.49 4.48 0.00 1.74 1.64 1.04 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.94 4.46 0.00 3.94 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 0.00 108 G 8.52 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 0.00 0.00 0.00 109 D 8.81 4.44 0.00 2.73 2.85 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 0.00 110 H 8.14 4.96 0.00 3.22 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.02 4.46 0.00 3.11 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.07 3.85 1.56 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.18 0.90 0.00 0.00 113 I 7.23 3.71 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.83 0.00 0.00 114 G 9.40 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.41 4.88 0.00 1.55 1.83 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.00 116 T 8.00 5.01 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 1.24 0.00 0.00 117 L 8.68 4.90 0.00 1.75 1.52 0.43 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.04 4.97 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 0.71 0.00 0.00 0.78 0.00 0.00 119 V 8.61 5.06 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 0.84 0.00 0.00 1.06 0.00 0.00 120 H 9.13 5.23 0.00 3.20 3.32 0.00 5.67 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 0.00 121 E 9.18 4.21 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 122 K 7.96 4.59 0.00 1.90 1.68 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.46 7.81 123 A 8.38 4.42 1.23 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 0.00 124 D 9.92 4.65 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.59 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 S 7.67 4.32 0.00 3.95 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 0.00 143 R 8.48 4.46 0.00 1.69 1.77 0.00 3.23 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 144 L 9.04 4.34 0.00 1.60 1.70 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.65 5.09 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 0.00 146 C 9.00 4.98 0.00 3.02 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 0.00 147 G 8.38 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.26 4.40 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 0.83 0.00 0.00 0.99 0.00 0.00 149 I 8.83 4.20 1.79 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.30 0.43 0.00 0.00 150 G 8.81 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 0.00 0.00 0.00 0.00 151 I 8.33 4.38 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.72 4.79 1.23 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 0.00 153 Q 8.48 4.09 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.