NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3397 8.2649 123.5830 51.9123 19.9419 175.9491 3 E 4.5266 8.4549 121.7678 53.1916 32.1914 173.9699 4 D 4.4273 8.7803 123.2560 54.2150 42.7724 175.1165 5 G 4.2006 8.0756 113.6834 43.8742 0.0000 170.4917 6 P 4.3042 0.0000 0.0000 65.1589 31.3474 177.3451 7 Q 4.3816 7.7365 117.5637 54.3489 27.3378 174.2840 8 K 4.6163 7.7487 119.4894 54.3788 36.6941 176.1110 9 Q 4.2732 8.6545 122.1217 56.0559 29.6096 175.1300 10 Q 5.1421 8.6851 122.1105 54.0100 33.0526 174.6379 11 L 4.7612 9.0564 121.4426 53.1520 45.1237 175.9878 12 E 5.5740 8.9330 124.5438 53.0361 32.3138 172.6736 *14 P 4.2064 0.0000 0.0000 62.4483 32.1909 175.7524 15 L 4.6533 8.4599 120.6597 53.7020 42.5442 176.1060 16 V 4.3771 8.9284 125.3001 60.7100 33.5711 174.9108 17 L 2.8803 8.3570 129.6817 55.3563 42.7211 176.6288 18 D 4.7172 8.7150 127.1602 52.4470 40.3617 176.2569 19 Q 4.0176 8.4893 122.9742 58.7156 29.0319 178.0253 20 D 4.5337 8.0342 119.3775 56.2291 39.3272 178.1396 21 L 3.9816 7.8720 120.6791 57.9736 42.1604 178.7085 22 T 4.0868 7.8755 115.0382 66.6806 68.7035 176.0367 23 Q 4.1722 8.5532 121.8371 59.1147 29.0298 178.5312 24 Q 4.0039 8.1431 117.1814 57.1751 28.9931 178.0128 *26 R 4.2389 7.8748 118.4163 55.8273 32.3435 177.4681 27 L 3.9206 8.3063 119.4014 58.1735 41.9627 178.7307 28 R 3.8781 7.9956 118.5127 59.8886 29.8845 178.9160 29 V 3.6762 7.7457 111.4116 64.0930 31.4730 178.1103 30 E 3.8883 8.1628 119.1397 59.4163 29.5970 178.8874 31 S 4.1173 8.5655 115.4496 61.8392 62.9678 176.7201 32 L 4.0194 7.9797 121.3652 57.7046 41.2505 179.9659 33 K 3.9250 7.7964 118.0260 59.7055 32.0014 179.4284 34 Q 4.1734 8.1674 117.0286 58.5542 28.6961 178.4733 35 R 4.4357 8.0397 116.6380 55.0500 30.6769 176.9245 36 G 3.9496 8.0333 106.7556 46.2871 0.0000 173.8310 37 E 4.3060 7.8612 118.2514 55.1656 30.4304 176.1974 38 K 4.3935 8.1699 121.9908 54.7598 33.4868 176.7071 39 K 4.2216 8.2674 123.6400 56.3695 33.5198 176.6644 40 Q 4.0380 8.6498 118.9893 55.6787 29.1305 175.9252 41 D 4.2075 8.3771 119.4875 56.9455 40.7209 176.4181 42 G 3.9203 8.8100 115.6265 44.7596 0.0000 172.1274 43 E 4.1870 7.6821 120.3937 56.0535 30.5877 175.8677 44 K 4.4450 8.7652 126.6545 54.7838 33.5347 175.2320 45 L 4.6205 8.3163 127.6378 52.8900 43.4141 176.3825 46 I 3.9760 8.2874 124.0556 60.8051 38.5203 175.8369 47 R 4.2614 9.4432 128.0668 55.0498 30.6060 176.0842 48 P 4.2188 0.0000 0.0000 65.5698 31.3791 177.1738 49 A 4.3690 8.0580 120.4019 53.1567 19.0830 176.1165 50 E 5.3549 8.0626 115.6911 55.2146 31.3502 176.0317 51 S 4.9468 9.2675 118.0164 56.9082 67.8720 173.1569 52 V 4.8963 8.6561 123.2397 62.5942 32.8016 174.5410 53 Y 5.2327 9.7522 125.0470 56.2435 42.0194 174.4335 54 R 4.9029 9.5051 121.4704 54.4846 33.8091 173.9755 55 L 4.8511 8.2901 126.2828 53.4322 45.2064 174.6644 56 D 4.9069 8.5225 127.0145 52.7459 41.6392 177.2641 57 F 4.3494 9.2809 124.9952 56.8945 37.2219 176.4912 58 I 3.6392 8.1354 119.6764 62.8285 37.7046 176.6404 59 Q 4.5401 7.6024 120.7406 54.5097 31.9716 174.0380 60 Q 4.2569 8.6676 121.9328 56.1921 31.1386 175.9477 61 Q 4.3560 7.7783 115.0447 54.6967 30.9493 174.6610 62 K 3.8088 8.2328 115.5693 57.9805 29.6666 174.9924 63 L 4.9205 7.5907 115.9249 52.9103 44.5763 176.3505 64 Q 4.6420 8.7855 122.6688 54.0720 32.2846 173.9607 65 F 3.9789 9.3688 129.4883 58.9958 39.5324 172.8431 66 D 4.5581 7.8470 125.9700 54.9547 42.0997 175.5353 67 H 4.2012 6.3006 110.8067 54.3142 31.7102 171.8367 68 W 4.5018 8.5869 118.7538 55.6373 30.7515 176.2963 69 N 4.7790 8.6111 119.6599 51.5978 38.0811 171.9597 70 V 4.4232 7.1365 119.0442 60.6094 33.7177 175.0583 71 V 4.4491 8.7340 127.7412 61.0088 35.0116 173.7995 72 L 5.3948 8.5351 127.0074 53.0343 43.6034 175.9567 73 D 4.7758 9.0128 122.5544 53.8050 40.5727 176.1836 74 K 4.6822 7.7244 117.4909 53.8982 36.2159 174.2447 75 P 4.4883 0.0000 0.0000 62.2479 32.0646 176.8629 76 G 4.0345 7.8934 108.0847 46.1611 0.0000 170.8702 77 K 5.3102 7.7425 118.5344 55.2264 36.0819 176.3658 78 V 4.9213 9.0306 118.2751 60.0180 36.4582 174.2152 79 T 4.9542 8.5782 120.3922 61.8359 71.6526 173.1463 80 I 4.5675 9.0603 127.6610 60.1260 39.4100 174.6107 81 T 4.8976 9.0729 125.3621 61.6189 70.8445 175.0565 82 G 4.4035 8.6882 113.8470 46.0819 0.0000 172.0797 83 T 5.2863 7.8569 109.7004 59.1185 71.9749 173.9636 84 S 4.3239 9.0867 118.1105 58.9602 63.2070 175.1315 85 Q 4.3583 8.9485 123.9943 57.5308 28.7040 176.5662 86 N 4.6010 7.9623 114.7886 53.6150 39.1873 174.9324 87 W 4.5222 8.2028 129.4631 56.9427 30.9619 175.5840 88 T 4.0931 8.2613 123.4133 60.9855 68.3865 173.0138 89 P 3.6888 0.0000 0.0000 65.4725 31.3308 178.0806 90 D 4.4138 7.7426 116.3832 56.5451 41.1198 177.1502 91 L 4.4120 8.0684 118.6488 55.9504 42.5565 176.4599 92 T 4.8405 7.5228 105.0541 59.5100 72.0176 172.6299 93 N 4.7006 8.5391 119.3037 52.2241 39.7666 176.3850 94 L 3.1173 7.8937 123.1057 55.0906 42.4776 176.6259 *96 T 4.2667 8.4325 112.1612 63.8020 70.1139 176.1501 97 R 4.0743 7.8284 115.4234 58.0983 29.9228 176.9959 98 Q 4.2385 7.8107 116.9944 56.4298 29.2388 174.7523 99 L 4.7362 7.3692 119.2149 53.9550 42.3379 176.8409 100 L 4.2419 8.7957 124.9212 54.4758 42.5593 175.8197 101 D 4.9303 8.4776 122.0801 51.8628 43.3716 173.9156 102 P 4.5480 0.0000 0.0000 61.5863 33.2851 174.3767 103 A 4.6043 8.0566 119.8424 50.5799 21.3005 176.1103 104 A 4.5671 8.7023 121.4090 50.4739 21.2503 176.2674 105 I 4.8789 8.8098 124.0378 59.4932 40.1252 174.8991 106 F 5.2643 9.2187 125.3849 55.5349 42.5838 174.1907 107 W 5.7976 8.5015 118.0797 55.4069 31.7821 174.0138 108 R 4.6739 9.3236 121.2715 54.7032 32.3963 174.9433 109 K 4.2895 9.0503 125.6481 56.0310 33.6360 176.5109 110 E 3.4439 8.8472 117.0080 60.0941 30.4127 177.2592 111 D 4.6331 7.9822 122.3031 54.8941 42.1120 176.9099 112 S 4.7030 7.3574 113.6886 57.3437 64.4874 173.8630 113 D 4.6930 8.4238 119.7396 54.7928 42.0868 177.3294 114 A 4.2983 7.5324 120.5577 51.3748 20.6566 175.9999 *116 D 4.0285 8.5741 113.0694 54.4613 42.9217 175.4241 117 W 4.1500 6.7094 118.0530 54.0829 31.2852 175.6540 118 N 4.7418 8.6058 118.4204 51.2196 34.6201 175.1536 119 E 4.0835 8.0474 128.8112 60.5179 30.0498 178.5117 120 A 4.0804 8.0267 119.7623 55.5035 18.4858 179.3134 121 D 4.3812 8.1467 116.6723 57.4000 41.0592 178.6411 122 A 4.0911 8.6406 121.8102 54.9754 18.2788 179.5836 123 L 4.0936 8.3134 118.9341 58.2968 42.0784 178.4338 124 E 3.9775 8.1209 117.9532 59.4490 29.8298 178.2943 125 F 4.7705 8.7179 120.7110 61.5567 39.5487 177.1440 126 G 2.0000 7.9950 105.2249 47.3708 0.0000 175.3385 127 E 4.0694 7.8167 119.7603 59.2586 29.7173 179.4429 128 R 4.1596 8.0096 118.0483 58.8672 30.1082 178.7511 129 L 4.2007 7.8283 119.1770 57.9011 41.3618 179.3840 130 S 3.9866 8.1797 111.8107 61.6006 62.5823 175.5619 131 D 4.4440 8.0132 120.9889 57.1831 40.6045 178.5890 132 L 3.9958 7.9806 119.3451 57.5541 41.7050 179.3776 133 A 2.5800 7.6027 120.8643 54.4029 17.8183 179.8072 134 K 3.9406 7.2502 115.8725 59.2240 32.0866 179.3475 135 I 3.8772 7.1948 119.9977 63.1420 37.2420 176.3757 136 R 4.4508 6.7895 111.4137 55.1047 32.3096 175.7980 137 K 3.8593 8.4848 119.1378 58.6666 32.2869 176.4414 138 V 4.9438 6.8044 116.0882 59.8173 34.6173 173.5184 *140 Y 4.8791 7.9410 116.4390 58.1538 39.4743 174.6251 141 F 5.4976 9.7678 119.7329 55.9927 44.3898 173.6526 142 L 5.3904 9.5063 120.7769 53.3786 44.3912 175.6597 143 I 4.7101 9.1737 126.1425 59.8891 39.4685 174.9609 144 T 4.8235 8.6058 125.1617 62.4362 69.9148 173.9167 145 F 4.8188 9.2171 126.8321 56.1066 40.3759 176.6536 146 G 4.0319 9.0922 111.9722 45.1443 0.0000 172.5344 147 E 4.2704 8.5947 119.7750 57.7927 29.7096 177.6456 148 G 4.1148 9.3370 112.0034 44.9633 0.0000 173.6820 149 V 4.7521 7.2997 111.3704 59.6094 34.7629 174.5140 150 E 4.3262 9.4554 121.7852 53.2671 33.7559 174.8244 151 P 4.2962 0.0000 0.0000 66.1020 30.9628 178.4715 152 A 4.0681 7.8264 120.1637 54.5527 18.6406 177.6977 153 N 4.9913 8.5350 112.2790 53.3869 39.2099 174.1534 154 L 5.2600 7.7219 120.6613 53.2014 44.3794 176.0643 155 K 4.5969 8.9668 123.9073 54.7903 35.6864 174.9414 156 A 5.1820 8.3723 126.8256 50.1282 22.4385 174.6290 157 S 4.7525 8.4129 114.1720 57.4631 67.3246 173.2365 158 V 4.2599 8.0568 119.3149 60.8130 34.7251 173.9254 159 V 4.6265 7.8389 126.8993 61.0342 33.7686 174.1616 160 F 5.2469 8.9586 126.3913 55.7015 42.3410 174.2650 161 N 5.0755 9.4516 120.8310 52.7420 40.1302 174.2460 162 Q 4.6804 8.9016 123.3847 55.1661 29.8008 176.0604 163 L 4.2970 8.6435 123.8193 54.9191 41.4289 176.8154 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 A 8.26 4.34 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 3 E 8.45 4.53 0.00 2.01 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 0.00 2.20 2.30 0.00 4 D 8.78 4.43 0.00 2.63 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 5 G 8.08 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 6 P 0.00 4.30 0.00 2.04 2.11 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 7 Q 7.74 4.38 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 8 K 7.75 4.62 0.00 1.67 1.63 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.55 7.81 9 Q 8.65 4.27 0.00 1.98 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 10 Q 8.69 5.14 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 11 L 9.06 4.76 0.00 1.61 1.58 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.93 5.57 0.00 1.89 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 0.00 2.12 1.99 0.00 *14 P 0.00 4.21 0.00 2.23 2.05 0.00 3.76 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 1.86 1.97 0.00 15 L 8.46 4.65 0.00 1.54 1.71 0.72 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.93 4.38 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 0.90 0.00 0.00 0.94 0.00 0.00 17 L 8.36 2.88 0.00 1.11 1.32 0.62 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.71 4.72 0.00 2.84 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 19 Q 8.49 4.02 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 20 D 8.03 4.53 0.00 2.87 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 L 7.87 3.98 0.00 1.72 1.86 0.91 0.51 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 22 T 7.88 4.09 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 1.27 0.00 0.00 23 Q 8.55 4.17 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 24 Q 8.14 4.00 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.17 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 *26 R 7.87 4.24 0.00 2.12 2.02 0.00 3.38 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 27 L 8.31 3.92 0.00 1.82 1.94 0.93 0.76 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 28 R 8.00 3.88 0.00 2.00 1.95 0.00 3.21 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 1.64 1.74 0.00 29 V 7.75 3.68 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 0.99 0.00 0.00 0.99 0.00 0.00 30 E 8.16 3.89 0.00 2.15 2.15 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 2.31 2.36 0.00 31 S 8.57 4.12 0.00 3.98 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 32 L 7.98 4.02 0.00 1.88 1.73 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.80 3.92 0.00 1.96 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 34 Q 8.17 4.17 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 35 R 8.04 4.44 0.00 1.79 2.00 0.00 3.47 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 36 G 8.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.86 4.31 0.00 2.00 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 0.00 2.33 2.40 0.00 38 K 8.17 4.39 0.00 1.70 1.69 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 39 K 8.27 4.22 0.00 2.02 1.79 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 40 Q 8.65 4.04 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 41 D 8.38 4.21 0.00 2.61 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 42 G 8.81 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 43 E 7.68 4.19 0.00 1.99 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 2.27 2.35 0.00 44 K 8.77 4.44 0.00 1.66 1.65 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.34 7.81 45 L 8.32 4.62 0.00 1.55 1.57 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.29 3.98 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.95 0.00 0.00 47 R 9.44 4.26 0.00 1.98 1.86 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 48 P 0.00 4.22 0.00 2.20 2.22 0.00 3.78 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 2.02 2.00 0.00 49 A 8.06 4.37 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.06 5.35 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 51 S 9.27 4.95 0.00 4.35 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 52 V 8.66 4.90 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 1.43 0.00 0.00 1.13 0.00 0.00 53 Y 9.75 5.23 0.00 3.09 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 54 R 9.51 4.90 0.00 2.03 1.83 0.00 3.20 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.00 55 L 8.29 4.85 0.00 1.85 1.57 0.78 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.52 4.91 0.00 2.53 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 57 F 9.28 4.35 0.00 3.16 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 58 I 8.14 3.64 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 1.31 0.53 0.90 0.00 0.00 59 Q 7.60 4.54 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 60 Q 8.67 4.26 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 61 Q 7.78 4.36 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 62 K 8.23 3.81 0.00 1.91 1.81 0.00 1.60 0.00 0.00 1.97 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 63 L 7.59 4.92 0.00 1.37 1.20 0.29 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.79 4.64 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 65 F 9.37 3.98 0.00 3.11 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 66 D 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0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.41 7.81 75 P 0.00 4.49 0.00 2.08 2.12 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 76 G 7.89 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 77 K 7.74 5.31 0.00 1.90 1.65 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.80 7.81 78 V 9.03 4.92 1.71 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 0.46 0.00 0.00 0.94 0.00 0.00 79 T 8.58 4.95 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 1.20 0.00 0.00 80 I 9.06 4.57 1.77 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.88 0.90 0.00 0.00 81 T 9.07 4.90 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 1.21 0.00 0.00 82 G 8.69 4.40 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 0.00 83 T 7.86 5.29 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 1.33 0.00 0.00 84 S 9.09 4.32 0.00 3.94 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 85 Q 8.95 4.36 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 86 N 7.96 4.60 0.00 2.84 2.92 0.00 0.00 6.88 7.18 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 87 W 8.20 4.52 0.00 3.23 3.37 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 88 T 8.26 4.09 4.17 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 1.11 0.00 0.00 89 P 0.00 3.69 0.00 1.28 1.30 0.00 2.99 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 90 D 7.74 4.41 0.00 2.58 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 91 L 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0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.48 7.81 135 I 7.19 3.88 1.99 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 1.55 0.59 0.91 0.00 0.00 136 R 6.79 4.45 0.00 2.04 1.96 0.00 2.81 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 137 K 8.48 3.86 0.00 1.87 1.96 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.72 7.81 138 V 6.80 4.94 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 0.67 0.00 0.00 0.96 0.00 0.00 *140 Y 7.94 4.88 0.00 3.32 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 0.00 141 F 9.77 5.50 0.00 3.16 3.08 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 0.00 142 L 9.51 5.39 0.00 1.63 1.66 0.93 1.04 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 0.00 143 I 9.17 4.71 1.72 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.15 0.00 0.00 144 T 8.61 4.82 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 1.24 0.00 0.00 145 F 9.22 4.82 0.00 2.96 3.27 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 0.00 146 G 9.09 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 0.00 147 E 8.59 4.27 0.00 2.00 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 2.34 2.27 0.00 148 G 9.34 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 0.00 149 V 7.30 4.75 2.30 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 0.85 0.00 0.00 1.20 0.00 0.00 150 E 9.46 4.33 0.00 1.92 1.58 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 2.07 2.15 0.00 151 P 0.00 4.30 0.00 2.19 2.43 0.00 3.12 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 1.87 1.76 0.00 152 A 7.83 4.07 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 0.00 153 N 8.54 4.99 0.00 2.99 3.04 0.00 0.00 6.62 6.46 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 0.00 154 L 7.72 5.26 0.00 1.84 1.92 0.83 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.97 4.60 0.00 1.67 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 156 A 8.37 5.18 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.41 4.75 0.00 3.79 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 0.00 158 V 8.06 4.26 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 0.06 0.00 0.00 0.32 0.00 0.00 159 V 7.84 4.63 1.54 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 0.90 0.00 0.00 0.63 0.00 0.00 160 F 8.96 5.25 0.00 3.03 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 0.00 161 N 9.45 5.08 0.00 2.72 2.73 0.00 0.00 6.89 7.44 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 0.00 162 Q 8.90 4.68 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 163 L 8.64 4.30 0.00 1.51 1.57 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.