NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2849 8.2649 123.5824 51.9959 19.9221 175.8929 2 D 4.6145 8.5049 120.5802 52.4793 42.0128 174.6344 3 L 4.8584 8.2515 123.9102 52.9763 45.5132 175.4074 4 T 4.6741 8.1740 110.2709 60.1199 71.7117 172.3463 5 A 4.6787 8.1028 123.9734 51.5950 22.2899 175.2237 6 S 4.7680 8.1693 112.2597 57.5662 65.8234 173.2406 7 F 4.5070 8.2568 121.5198 57.4376 41.8710 174.1118 8 T 4.2222 7.3830 123.1409 61.8639 67.9073 174.7646 9 A 4.3426 8.5658 130.2571 52.2831 19.1210 176.5791 10 T 4.7358 8.3300 110.5398 59.8326 71.8250 173.2019 11 A 4.7025 8.2751 124.3624 50.9650 22.3162 175.5786 12 T 4.5823 8.4507 116.7513 61.6666 70.7868 173.8187 13 L 4.8101 8.4444 126.0544 52.8799 44.1285 176.2449 14 V 4.3908 8.1304 114.6515 59.4216 34.8983 175.0653 15 E 4.4357 8.4651 123.6524 53.6795 29.9223 173.9521 16 P 4.3361 0.0000 0.0000 62.3343 32.1186 176.1208 17 A 4.5022 8.3087 122.6560 51.0145 19.3859 176.4759 18 R 4.6662 8.3864 121.8030 55.2786 32.4425 175.6515 19 I 4.8299 8.4503 124.5437 59.6549 40.0842 174.9300 20 T 4.8141 8.9643 116.7512 59.9555 72.5202 172.8381 21 L 5.1096 8.3255 123.4071 54.3292 45.3113 174.6404 22 T 4.7101 9.3194 123.6225 61.9274 71.6023 172.5023 23 Y 5.1505 8.7212 127.3048 55.8881 41.2097 174.0391 24 K 4.2380 8.5539 129.8415 54.3723 33.5857 175.1330 25 E 3.8737 8.6148 127.0660 57.3429 29.9815 178.0026 26 G 4.0822 8.7272 111.3579 43.9340 0.0000 172.9925 27 A 4.2415 8.5650 122.6441 51.4569 18.7358 175.7608 28 P 4.5034 0.0000 0.0000 62.7857 32.2340 175.7033 29 I 4.4682 7.9764 120.1055 60.0539 39.5711 175.1821 30 T 4.4939 8.0912 115.6825 59.7842 71.0045 173.2329 31 I 4.0942 8.2926 128.1172 61.3754 37.2137 175.9333 32 M 3.9809 9.1309 129.3682 58.1122 32.1154 177.6249 *34 N 4.5360 7.9074 114.3472 51.8815 39.1365 174.9814 35 G 3.8414 8.2399 107.2635 45.8899 0.0000 171.9557 36 N 4.9970 7.8171 116.9870 51.1762 40.7971 174.6349 37 I 4.4867 7.9312 115.8605 59.7827 39.3825 174.9990 38 D 4.4442 7.6401 122.1540 54.6011 41.6654 175.9653 39 T 4.0341 8.3770 119.2138 62.1615 68.5077 173.7200 40 E 3.7816 8.4534 122.7366 56.8963 27.8535 174.7045 41 L 3.9197 7.3397 119.6618 54.8188 42.2654 176.3958 42 L 4.3205 8.6402 126.4472 55.3094 41.5070 177.1353 43 V 3.6286 9.0025 127.3377 65.3907 32.6240 175.6355 44 G 4.6626 7.5875 103.9957 46.6420 0.0000 172.1208 45 T 5.1736 8.1961 117.7689 61.6038 71.1956 173.4499 46 L 5.2986 9.4283 127.2204 53.4931 44.3550 175.6371 47 T 4.8547 9.1764 120.9445 61.6866 70.9658 172.9300 48 L 4.8818 8.8548 130.1873 54.6274 43.7884 176.0476 49 G 4.1748 9.0438 112.3022 45.3870 0.0000 172.0453 50 G 4.2112 8.9456 106.7944 46.6557 0.0000 173.9804 51 Y 4.3296 7.0536 115.8310 56.3965 38.8592 175.5986 52 K 4.2367 8.5374 121.8655 55.9912 33.1199 176.4579 53 T 4.3023 8.3833 122.1544 64.9910 68.8018 173.7731 54 G 4.1461 9.4125 114.3017 46.1443 0.0000 174.5073 55 T 3.7593 8.0396 116.8573 64.4336 68.9324 173.4768 56 T 5.0004 7.6955 115.8420 59.5450 71.1124 175.7603 57 S 4.1963 8.7786 117.2244 61.3944 63.2019 176.3299 58 T 4.0606 7.8341 109.5370 62.9569 68.9970 175.0712 59 S 4.4157 7.8576 117.1201 58.3682 63.7997 173.0892 60 V 4.6582 7.4583 122.3688 61.3017 33.8796 173.6240 61 N 5.1728 9.0669 126.6472 51.9089 42.0794 172.9685 62 F 5.0545 9.1480 126.9296 56.8570 40.2509 175.3103 63 T 5.2675 9.1637 114.6929 60.0104 72.1962 172.5291 64 D 5.1942 8.9765 121.2865 51.8204 42.6061 175.1646 65 A 4.0263 8.7066 120.7347 55.1906 18.5838 178.7561 66 A 3.9595 8.0737 117.8397 54.2543 18.4397 178.6659 67 G 3.7977 8.1337 101.0192 45.9911 0.0000 172.9161 68 D 4.4081 7.8629 119.7979 52.9881 41.1692 173.8797 69 P 4.3613 0.0000 0.0000 64.6526 31.6438 176.8085 70 M 3.1210 9.5054 122.4677 55.0568 30.7413 176.2276 71 Y 5.5803 7.2303 114.9396 55.2298 42.1730 174.7422 72 L 4.6408 8.2305 121.0543 54.1597 43.7463 175.6404 73 T 4.8668 8.8588 120.4135 61.9404 70.4064 173.8547 74 F 4.7056 8.7473 125.7427 56.2070 41.3043 175.1646 75 T 5.4928 8.6767 118.8105 61.4380 72.5185 173.6487 76 S 3.9287 8.4504 120.5358 58.1832 63.5325 173.7904 77 Q 4.3901 8.9274 124.0365 56.6964 28.5302 175.9272 78 D 4.5591 7.8259 117.5489 53.2161 40.5542 176.9298 79 G 4.0722 8.2640 106.8785 46.0033 0.0000 174.4355 80 N 4.3754 9.0673 116.0330 53.5485 38.8603 174.3372 81 N 4.1366 8.0000 115.3640 54.6286 37.7142 173.5661 82 H 4.7165 7.9045 112.7226 55.9546 30.2841 175.3287 83 Q 5.5116 8.7429 119.3362 54.5221 32.8455 174.1911 84 F 5.3312 9.0005 116.9903 55.4710 41.8854 173.5473 85 T 5.2542 8.8941 110.6491 60.4948 71.6794 173.2803 86 T 5.4190 9.0659 112.7415 59.9736 72.9508 172.5041 87 K 5.0072 9.1162 121.0019 55.1240 36.2585 175.0310 88 V 4.8435 8.2361 121.1243 61.2312 33.1143 174.5444 89 I 4.9735 8.7435 120.8451 59.9408 41.8500 174.4645 90 G 4.3665 9.3935 108.5962 45.7944 0.0000 171.5793 91 K 5.3575 8.6203 118.2625 54.8018 35.7142 176.9242 92 D 4.8487 8.5606 123.7011 52.2267 41.8524 176.9107 93 S 4.2111 8.6390 112.3890 61.5245 63.1585 174.9850 94 R 4.2802 8.2164 117.3739 55.8010 30.2101 175.6391 95 D 4.4930 7.9357 116.3188 55.1816 40.2545 173.5692 96 F 4.4588 8.6380 115.5383 55.9902 40.0388 174.8193 97 D 5.2072 8.7113 123.8321 54.5201 41.2804 175.8274 98 I 5.0183 9.0847 116.5776 59.3510 41.5248 174.2951 99 S 5.0477 8.4583 116.6585 56.1525 66.0892 171.7863 100 P 4.8251 0.0000 0.0000 61.2563 32.8583 175.7104 101 K 4.2118 8.5705 119.3765 56.6450 33.4121 176.8129 102 V 4.6594 8.5697 123.1984 61.5724 34.5639 175.3105 103 N 4.2264 10.3384 127.3610 54.3126 36.6748 175.4217 104 G 3.9902 9.3156 104.6815 45.3221 0.0000 173.8265 105 E 4.6790 7.4526 117.8482 54.3396 33.5397 174.1425 106 N 4.9719 8.4794 119.4477 52.5204 39.7823 175.3206 107 L 4.0711 8.5247 125.4562 57.4168 42.5837 177.1725 108 V 4.3846 7.4074 114.8312 61.0486 34.3070 175.3928 109 G 3.9572 8.8818 109.7551 46.1223 0.0000 173.1680 *110 D 4.7055 8.0725 117.3935 51.3259 41.0356 174.7292 111 D 4.4434 8.5485 117.6444 56.2228 41.5272 176.1168 112 V 4.6378 8.4864 118.2486 59.2380 36.5050 174.8035 113 V 4.0382 8.2999 122.5556 62.5369 31.8666 176.0026 114 L 4.3106 8.6149 128.0859 54.3331 42.2609 177.1345 115 A 4.1501 8.9608 124.7184 52.5113 18.9270 178.1132 116 T 3.9027 8.2894 117.7572 64.9883 68.4705 173.5469 117 G 3.9575 9.2744 120.8779 44.6952 0.0000 172.9245 118 S 4.8031 7.1189 113.4216 55.9932 67.1458 172.4487 119 Q 4.3998 9.0969 121.1404 54.4674 32.1493 173.5021 120 D 4.9721 8.4101 126.0651 53.5964 42.1130 175.7227 121 F 4.8900 9.0312 121.3443 55.5892 42.8875 173.9847 122 F 5.3013 9.1900 121.4372 55.8067 41.5506 174.9748 123 V 4.4851 8.9850 124.7204 62.4533 32.6277 174.8338 124 R 5.3647 8.9075 127.3052 54.0215 33.4651 175.5079 125 S 4.1598 8.6026 118.9741 59.8643 63.9132 172.8841 126 I 4.1178 8.8771 123.1100 61.4682 37.3705 178.5977 127 G 4.1422 7.6397 113.7873 46.5655 0.0000 172.3283 128 S 4.9238 8.3076 115.1639 56.0822 64.4097 174.2117 129 K 3.9709 9.0020 127.9247 59.0278 33.5840 178.4324 130 G 3.7286 8.3564 105.6281 45.6110 0.0000 173.3269 131 G 3.6036 8.4899 116.6381 45.2278 0.0000 173.7277 132 K 4.3617 8.4514 129.4106 54.3862 32.6649 176.1772 133 L 4.3232 7.9193 126.9613 53.7945 42.7014 175.6569 134 A 3.8163 7.8489 126.2358 53.9723 18.1744 177.8372 *137 K 4.2796 8.3339 111.9356 55.3259 34.6595 175.0683 138 Y 5.2832 9.0186 122.3604 56.4757 40.3798 175.2101 139 T 4.9716 9.6466 113.8306 60.0864 72.4246 172.2730 140 D 4.8776 8.5702 121.2127 52.3695 44.8399 174.5294 141 A 4.4889 8.4493 126.2731 50.4256 20.1645 175.7312 142 V 4.5783 8.1790 122.2640 62.0410 33.9030 174.8541 143 T 4.3986 8.7772 124.9858 62.1964 70.4187 173.9192 144 V 4.0849 8.2542 126.6864 61.6470 32.5200 174.5883 145 T 4.4101 8.6699 126.3464 61.9352 70.3221 174.1096 146 V 4.5763 8.2759 126.4289 61.3798 33.4765 175.6051 147 S 4.5798 9.0978 125.9731 56.8842 62.1548 173.5255 148 N 4.4458 8.4293 121.7146 52.8196 39.2002 175.6216 149 Q 4.1648 8.6276 120.0592 56.3755 28.7528 176.2934 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 8.26 4.28 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 2 D 8.50 4.61 0.00 2.76 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 3 L 8.25 4.86 0.00 1.60 1.55 0.92 0.85 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 4 T 8.17 4.67 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 5 A 8.10 4.68 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 6 S 8.17 4.77 0.00 3.95 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 7 F 8.26 4.51 0.00 2.96 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 8 T 7.38 4.22 4.01 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 1.17 0.00 0.00 9 A 8.57 4.34 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 10 T 8.33 4.74 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 1.25 0.00 0.00 11 A 8.28 4.70 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 12 T 8.45 4.58 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 13 L 8.44 4.81 0.00 1.61 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.13 4.39 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 0.71 0.00 0.00 0.93 0.00 0.00 15 E 8.47 4.44 0.00 1.88 1.86 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 2.20 2.35 0.00 16 P 0.00 4.34 0.00 2.08 1.98 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 17 A 8.31 4.50 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 18 R 8.39 4.67 0.00 1.93 1.84 0.00 3.05 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 19 I 8.45 4.83 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.95 0.00 0.00 20 T 8.96 4.81 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 1.21 0.00 0.00 21 L 8.33 5.11 0.00 1.67 1.60 1.20 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.32 4.71 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 23 Y 8.72 5.15 0.00 3.12 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 24 K 8.55 4.24 0.00 1.75 1.54 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.33 7.81 25 E 8.61 3.87 0.00 1.86 1.90 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 2.46 2.56 0.00 26 G 8.73 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 0.00 0.00 0.00 27 A 8.56 4.24 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 28 P 0.00 4.50 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 29 I 7.98 4.47 1.74 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 1.20 0.37 0.66 0.00 0.00 30 T 8.09 4.49 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 1.17 0.00 0.00 31 I 8.29 4.09 1.84 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 1.26 0.47 0.87 0.00 0.00 32 M 9.13 3.98 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 *34 N 7.91 4.54 0.00 2.82 2.97 0.00 0.00 6.15 7.00 0.00 0.00 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 8.24 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 0.00 0.00 0.00 36 N 7.82 5.00 0.00 2.75 2.65 0.00 0.00 6.76 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 37 I 7.93 4.49 1.57 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.27 0.56 0.00 0.00 38 D 7.64 4.44 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 4.03 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 1.19 0.00 0.00 40 E 8.45 3.78 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 2.23 2.39 0.00 41 L 7.34 3.92 0.00 1.54 1.54 0.81 0.40 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 42 L 8.64 4.32 0.00 1.73 1.57 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.00 3.63 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.98 0.00 0.00 44 G 7.59 4.66 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 0.00 0.00 0.00 45 T 8.20 5.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 L 9.43 5.30 0.00 1.89 1.87 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.18 4.85 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 1.22 0.00 0.00 48 L 8.85 4.88 0.00 2.12 1.80 1.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.04 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 0.00 0.00 0.00 0.00 50 G 8.95 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 0.00 0.00 0.00 0.00 51 Y 7.05 4.33 0.00 3.06 3.03 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 52 K 8.54 4.24 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.49 7.81 53 T 8.38 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 1.26 0.00 0.00 54 G 9.41 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 55 T 8.04 3.76 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 0.90 0.00 0.00 56 T 7.70 5.00 4.51 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 0.00 0.00 0.00 1.27 0.00 0.00 57 S 8.78 4.20 0.00 4.23 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 58 T 7.83 4.06 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 1.25 0.00 0.00 59 S 7.86 4.42 0.00 4.13 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 60 V 7.46 4.66 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 61 N 9.07 5.17 0.00 2.74 2.54 0.00 0.00 6.74 7.25 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 62 F 9.15 5.05 0.00 2.97 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 63 T 9.16 5.27 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 1.19 0.00 0.00 64 D 8.98 5.19 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.71 4.03 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 66 A 8.07 3.96 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 67 G 8.13 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 0.00 0.00 0.00 68 D 7.86 4.41 0.00 2.83 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 69 P 0.00 4.36 0.00 2.06 1.96 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 70 M 9.51 3.12 0.00 1.44 1.47 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 71 Y 7.23 5.58 0.00 2.86 2.89 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 72 L 8.23 4.64 0.00 1.76 1.62 0.90 0.64 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 73 T 8.86 4.87 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 1.18 0.00 0.00 74 F 8.75 4.71 0.00 1.57 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 75 T 8.68 5.49 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 1.20 0.00 0.00 76 S 8.45 3.93 0.00 3.52 2.83 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 77 Q 8.93 4.39 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 78 D 7.83 4.56 0.00 2.77 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 79 G 8.26 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 80 N 9.07 4.38 0.00 2.82 2.75 0.00 0.00 6.99 8.63 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 81 N 8.00 4.14 0.00 2.76 2.80 0.00 0.00 7.06 7.89 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 82 H 7.90 4.72 0.00 3.37 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.74 5.51 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 84 F 9.00 5.33 0.00 3.19 2.99 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 85 T 8.89 5.25 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 1.18 0.00 0.00 86 T 9.07 5.42 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 1.38 0.00 0.00 87 K 9.12 5.01 0.00 1.86 2.12 0.00 1.34 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.42 7.81 88 V 8.24 4.84 1.65 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 0.16 0.00 0.00 0.56 0.00 0.00 89 I 8.74 4.97 2.00 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 1.29 1.01 0.97 0.00 0.00 90 G 9.39 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 91 K 8.62 5.36 0.00 1.71 1.75 0.00 1.84 0.00 0.00 1.92 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.43 7.81 92 D 8.56 4.85 0.00 2.98 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 93 S 8.64 4.21 0.00 4.04 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 94 R 8.22 4.28 0.00 2.32 2.31 0.00 3.39 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 95 D 7.94 4.49 0.00 2.81 2.65 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 96 F 8.64 4.46 0.00 3.52 2.99 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 97 D 8.71 5.21 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 98 I 9.08 5.02 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 1.01 0.00 0.00 99 S 8.46 5.05 0.00 3.91 3.82 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 0.00 100 P 0.00 4.83 0.00 2.17 1.65 0.00 3.28 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 1.59 0.74 0.00 101 K 8.57 4.21 0.00 1.90 1.83 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.36 7.81 102 V 8.57 4.66 1.86 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 0.94 0.00 0.00 0.79 0.00 0.00 103 N 10.34 4.23 0.00 2.89 2.82 0.00 0.00 7.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 9.32 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 0.00 105 E 7.45 4.68 0.00 1.85 1.72 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 2.25 2.21 0.00 106 N 8.48 4.97 0.00 2.68 2.72 0.00 0.00 6.93 7.85 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 0.00 107 L 8.52 4.07 0.00 1.43 1.63 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.41 4.38 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 0.77 0.00 0.00 0.98 0.00 0.00 109 G 8.88 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 0.00 0.00 0.00 *110 D 8.07 4.71 0.00 2.71 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 0.00 111 D 8.55 4.44 0.00 2.60 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 0.00 112 V 8.49 4.64 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 0.66 0.00 0.00 0.98 0.00 0.00 113 V 8.30 4.04 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 0.81 0.00 0.00 0.94 0.00 0.00 114 L 8.61 4.31 0.00 1.35 1.54 0.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.96 4.15 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 0.00 116 T 8.29 3.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 G 9.27 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 0.00 0.00 0.00 118 S 7.12 4.80 0.00 3.88 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 0.00 119 Q 9.10 4.40 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 120 D 8.41 4.97 0.00 2.25 1.96 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 0.00 121 F 9.03 4.89 0.00 2.88 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 0.00 122 F 9.19 5.30 0.00 3.06 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 0.00 123 V 8.98 4.49 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.10 0.00 0.00 124 R 8.91 5.36 0.00 1.81 1.82 0.00 3.55 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 125 S 8.60 4.16 0.00 3.77 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 0.00 126 I 8.88 4.12 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.85 0.00 0.00 127 G 7.64 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 0.00 0.00 0.00 128 S 8.31 4.92 0.00 4.26 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 0.00 129 K 9.00 3.97 0.00 1.72 1.91 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.44 7.81 130 G 8.36 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.49 3.60 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 0.00 0.00 0.00 132 K 8.45 4.36 0.00 1.74 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 L 7.92 4.32 0.00 1.64 1.66 0.62 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.85 3.82 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 *137 K 8.33 4.28 0.00 1.78 1.87 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.51 7.81 138 Y 9.02 5.28 0.00 3.04 3.12 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 0.00 0.00 0.00 139 T 9.65 4.97 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 1.27 0.00 0.00 140 D 8.57 4.88 0.00 1.58 1.67 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 0.00 141 A 8.45 4.49 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 0.00 142 V 8.18 4.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.83 0.00 0.00 143 T 8.78 4.40 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 1.15 0.00 0.00 144 V 8.25 4.08 1.85 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 -0.05 0.00 0.00 0.70 0.00 0.00 145 T 8.67 4.41 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 1.15 0.00 0.00 146 V 8.28 4.58 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 0.79 0.00 0.00 0.87 0.00 0.00 147 S 9.10 4.58 0.00 3.70 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 0.00 148 N 8.43 4.45 0.00 2.72 2.77 0.00 0.00 7.21 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 0.00 149 Q 8.63 4.16 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.