NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6970 8.2233 120.4815 54.0243 41.9224 173.6261 6 N 4.5119 8.4852 119.8116 52.5848 39.7892 172.6931 7 K 4.5128 9.3894 121.9727 54.3246 36.5443 174.6019 8 L 4.8185 8.2801 125.8073 54.3457 43.7431 174.9791 9 F 5.4073 9.3705 125.4187 55.6444 42.1645 174.0460 10 L 4.3659 9.1030 126.4244 53.8176 43.4703 175.1973 11 V 4.9183 8.8697 126.7428 61.2818 34.5732 173.2988 12 Y 5.1240 9.5072 129.8225 56.4562 40.3474 174.2090 13 V 4.5927 8.8013 126.8783 60.9164 34.9621 174.3701 14 G 3.9524 8.4700 114.0188 44.4298 0.0000 173.1298 15 G 3.3772 7.4849 107.5866 45.7632 0.0000 171.7397 16 T 4.9303 7.7823 112.7543 60.3404 71.0242 173.1325 17 A 4.9566 8.0581 124.3875 49.4631 22.0669 173.9182 18 P 4.4552 0.0000 0.0000 64.5193 31.6040 175.2686 19 G 4.0799 9.0598 109.6851 45.5909 0.0000 173.9644 20 A 4.2308 7.4714 121.0204 52.2323 18.8921 176.9000 21 N 4.7094 8.7125 117.6061 53.4856 39.8452 175.0319 22 I 4.6040 7.3310 109.4831 58.0556 40.5817 174.3735 23 E 4.3386 8.6320 121.6075 56.4827 30.1837 175.6490 24 L 5.0961 9.3514 125.3857 53.5477 45.5257 175.0329 25 H 5.5176 8.7835 116.2794 54.5664 32.7318 172.4064 26 D 5.0335 9.4407 120.9636 52.7960 45.4721 173.6946 27 I 4.8339 8.3516 123.1956 59.8584 38.6424 175.3458 28 R 4.6938 9.1874 125.9968 54.3170 33.6201 174.6469 29 F 5.1414 8.7070 120.1980 56.0364 40.9213 175.5183 30 V 4.8848 8.9725 115.7005 59.7472 36.4728 174.4042 31 V 4.9649 8.6910 122.3843 61.3904 34.2130 174.8269 32 G 4.0809 8.4262 112.5662 45.6201 0.0000 172.4867 33 P 4.9120 0.0000 0.0000 64.0717 31.9151 176.6898 34 S 4.3485 7.1352 115.7443 57.9718 66.9343 176.9380 *36 E 2.5400 8.9824 117.4613 55.6386 30.5987 176.8332 37 E 4.0302 7.3003 114.8927 57.8013 29.7432 177.3480 38 T 4.3223 6.7633 105.9291 61.8486 69.9128 176.2715 39 Y 4.3176 7.5096 121.5747 61.0378 37.7375 176.4695 40 P 4.2260 0.0000 0.0000 65.7693 31.4720 178.4857 41 A 4.0050 7.9740 118.8569 54.9818 17.8192 179.5828 42 I 3.6706 7.9023 118.3784 64.7010 37.0118 178.8211 43 R 3.9153 7.9144 117.5370 59.1399 29.9605 178.7214 44 K 4.2026 8.2105 118.6970 59.3729 32.3520 178.5242 45 G 3.9431 8.0943 103.3473 44.4733 0.0000 173.4368 46 W 4.4540 7.6041 132.5202 56.8348 30.9322 176.8472 47 F 3.9116 8.0613 121.3323 58.4360 38.6143 176.5488 48 G 3.4916 5.3800 110.3873 45.6511 0.0000 173.5678 49 T 4.6181 8.5649 119.8681 60.3223 69.2460 174.7306 50 Q 3.9903 8.3893 123.4683 57.4966 29.2452 175.9200 51 K 3.9547 7.8234 119.1997 58.1662 31.9621 176.4489 52 G 3.8548 8.8073 114.7019 44.8639 0.0000 172.1815 53 L 3.7821 7.2422 123.0686 55.5432 42.8963 175.7579 54 H 4.9919 8.5049 120.8167 53.6472 32.5775 172.6025 55 L 4.4067 8.9338 120.4099 55.2481 42.3952 177.2303 56 D 5.2209 9.4711 122.2339 55.1334 43.7712 176.2357 57 S 5.5004 8.3291 110.3420 58.0493 66.2809 173.7656 58 F 5.8492 8.6815 114.9935 56.0094 41.7007 173.4689 59 V 4.9410 9.3113 119.1180 60.3361 34.8445 173.8850 60 H 4.7218 9.5764 125.3760 56.0486 30.1120 174.4521 61 L 4.6996 8.7276 127.9406 54.1814 41.8318 176.6217 62 H 4.8443 9.5006 118.8396 55.3263 30.3689 173.2683 63 H 5.3272 7.9781 116.1943 54.3196 32.7584 172.8433 64 V 4.3943 8.5830 122.9180 62.5267 34.1570 174.7795 65 D 4.6202 10.1761 127.4632 55.5118 38.5093 174.6428 66 G 3.7602 8.5618 104.8631 45.0490 0.0000 172.4813 67 Y 5.0172 8.0047 118.2159 55.9076 40.4216 175.1345 68 R 4.2710 9.3591 126.1584 56.1089 31.5658 175.1624 69 I 4.4827 8.4501 128.0408 61.0375 38.1565 174.9712 70 H 5.0434 9.3144 124.3344 53.8710 32.0284 173.0802 71 L 5.4845 8.6061 121.4508 53.2660 44.1126 175.8936 72 T 4.8137 8.7009 113.1420 59.9857 72.0668 175.3826 73 S 4.2306 8.9447 118.3391 60.4190 63.3944 174.6865 74 E 4.6605 8.0056 117.7838 54.2648 32.1929 175.6080 75 A 3.9271 7.7718 125.5460 50.7206 20.6466 175.2153 *80 E 4.2271 8.0792 114.3457 56.6166 30.5600 174.7863 81 E 4.0974 8.9533 117.8280 59.2260 30.0031 177.8411 82 K 4.9547 7.7429 115.2468 54.6264 35.9566 175.5467 83 R 4.6856 8.9399 121.2064 54.0112 35.0415 174.5059 84 L 4.6003 8.1005 120.3646 54.9845 43.1865 175.7500 85 Y 5.0252 9.0485 120.8851 56.1071 41.5676 174.3195 86 F 5.0398 9.4194 127.9650 57.5663 41.2584 174.3337 87 V 4.1187 8.1963 125.7708 60.9034 34.0187 173.3642 88 N 4.8320 7.8441 126.9486 51.8152 41.1594 173.3719 89 F 5.0083 8.5140 125.1678 56.0228 39.8146 177.3595 90 G 4.1061 8.4690 111.5242 45.0517 0.0000 172.2530 *100 E 4.0374 8.0856 121.6690 56.2832 32.2124 174.9838 101 Y 3.6270 7.7552 112.4801 59.2620 35.0681 168.9245 102 H 4.5048 7.8472 121.4238 57.8977 31.6496 175.6942 103 D 4.9037 8.1509 116.5616 53.8279 39.6588 174.7734 104 F 5.1712 7.3877 113.2706 56.7158 41.4445 172.8174 105 T 4.7355 8.7377 112.7408 61.0471 71.4039 172.0170 106 V 5.0386 8.5009 124.0124 61.2770 33.8794 174.8335 107 V 4.8309 8.9880 119.9114 59.6559 36.3936 174.3242 108 V 4.8382 8.0855 121.1986 61.3991 32.8203 174.6674 109 A 4.8285 8.8599 128.3397 51.0481 22.8010 176.0765 110 D 4.6970 8.7793 117.6487 54.6082 40.6361 177.3258 111 S 4.6913 7.6130 114.3672 55.1774 67.6113 172.9750 112 P 3.5934 0.0000 0.0000 65.5906 30.8882 179.0943 113 Q 3.9086 7.8115 116.5972 59.0644 28.8283 178.8648 114 S 4.0977 8.0009 114.7177 60.9260 63.0816 176.3226 115 A 3.8605 7.6041 124.8646 54.9709 17.8984 179.7276 116 K 3.8997 7.7627 116.6478 59.6756 31.5777 179.7098 117 Q 4.0341 7.8504 118.5367 58.8915 28.4136 178.6746 118 L 4.0990 7.8863 119.0267 57.5608 41.7700 179.0871 119 A 4.2767 8.0594 120.9499 55.2335 18.3663 179.9140 120 R 3.9404 8.0223 116.5451 59.2771 29.9524 178.8462 121 A 4.2917 7.6251 117.8023 54.1779 18.5062 178.8820 122 Q 4.1871 7.7406 115.6454 57.4414 28.9860 177.3243 123 F 4.3257 7.6654 121.2621 60.4822 39.7656 175.7933 124 S 4.1934 7.8092 109.6843 59.1062 66.8604 174.2488 *142 V 3.7405 7.6204 119.4640 62.5375 31.6225 173.6430 143 D 5.0554 8.5188 125.7771 52.3570 44.2488 174.2581 144 D 5.1154 8.0214 119.2303 52.7074 44.0572 174.3065 145 C 5.1128 8.6803 118.8289 56.3017 33.2895 172.7218 146 L 4.8445 9.3779 122.1338 53.4399 45.0480 174.7212 147 C 4.1654 8.7893 126.7201 58.8666 32.1768 173.5979 148 V 3.9369 8.2872 128.8866 61.2830 29.5704 174.3890 149 D 4.6628 8.2348 124.3878 52.2816 41.5865 175.8364 150 L 4.7509 7.6826 119.8473 52.9557 44.1051 175.3439 151 V 4.1680 8.5307 126.5699 62.0609 34.1160 175.1641 152 D 4.3472 9.6365 128.6148 56.0937 38.0336 173.0969 153 N 4.1020 7.9626 107.2789 54.3626 36.9434 174.1939 154 H 5.0348 7.7203 114.1928 54.2018 32.6356 172.5658 155 Y 4.7528 9.0110 121.1317 57.4337 39.5845 174.7610 156 V 4.5993 8.7781 124.7464 61.8924 32.4112 175.0480 157 T 4.9208 8.7465 118.4411 59.9296 71.9017 173.1383 158 L 5.4332 8.6433 121.9124 53.0866 45.0561 175.7850 159 E 4.7811 9.0942 122.7201 54.2857 33.0525 174.1510 160 F 4.3251 9.1697 130.0551 58.2826 39.4224 174.1059 161 D 4.5536 8.2709 124.2694 52.2779 40.4945 176.9786 162 G 3.4939 7.4533 108.1378 44.9398 0.0000 173.4705 163 E 3.9679 7.9740 121.7992 55.9031 30.2069 175.6242 164 Q 4.6075 8.2749 124.3922 54.4788 30.7568 174.8724 165 Q 4.4448 8.2389 120.7356 53.4776 31.7764 172.9322 166 P 4.4264 0.0000 0.0000 62.6147 32.2942 177.2472 167 L 4.4895 8.3125 125.7322 54.0291 40.3330 175.6816 168 V 4.3977 7.3168 113.2536 57.8995 35.7795 174.1537 169 P 4.4833 0.0000 0.0000 62.9499 31.6689 176.7970 170 D 4.5090 8.6773 122.5038 56.8242 41.1351 176.8355 171 W 4.9656 7.2065 126.7884 55.7619 33.5965 173.0408 172 K 4.0560 7.9582 122.3953 53.9791 36.0712 177.7802 173 G 3.7203 6.4737 108.4407 46.1491 0.0000 173.5085 174 Y 4.9641 8.4929 129.4482 56.3918 41.2295 174.3847 175 Q 4.4884 8.9751 129.0848 53.4159 31.6404 172.6787 176 P 4.5216 0.0000 0.0000 62.3841 32.1764 176.4660 177 L 3.8287 8.0680 123.4368 53.2984 42.3714 175.5625 178 P 4.3722 0.0000 0.0000 62.8021 31.9095 176.4307 179 E 4.2403 8.5013 119.0657 57.3778 30.2993 176.9291 180 G 3.7246 7.9591 112.0552 45.6940 0.0000 173.3790 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 5 D 8.22 4.70 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.49 4.51 0.00 2.63 2.64 0.00 0.00 6.99 6.73 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 7 K 9.39 4.51 0.00 1.29 0.75 0.00 1.56 0.00 0.00 0.94 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.02 1.34 7.81 8 L 8.28 4.82 0.00 1.78 1.72 1.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.37 5.41 0.00 3.02 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 10 L 9.10 4.37 0.00 1.61 1.57 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.87 4.92 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 1.03 0.00 0.00 0.96 0.00 0.00 12 Y 9.51 5.12 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 13 V 8.80 4.59 2.20 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 0.51 0.00 0.00 0.89 0.00 0.00 14 G 8.47 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 15 G 7.48 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 4.93 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 1.27 0.00 0.00 17 A 8.06 4.96 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 18 P 0.00 4.46 0.00 2.20 2.10 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 19 G 9.06 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 20 A 7.47 4.23 1.35 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 0.00 0.00 0.00 21 N 8.71 4.71 0.00 2.75 2.90 0.00 0.00 6.77 7.45 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 22 I 7.33 4.60 1.94 0.00 0.00 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 1.36 0.75 0.96 0.00 0.00 23 E 8.63 4.34 0.00 2.06 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 2.38 2.61 0.00 24 L 9.35 5.10 0.00 1.96 1.86 1.17 1.15 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 25 H 8.78 5.52 0.00 3.06 2.71 0.00 5.84 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 26 D 9.44 5.03 0.00 3.07 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 27 I 8.35 4.83 1.45 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.04 0.00 0.00 28 R 9.19 4.69 0.00 1.63 1.80 0.00 3.30 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 29 F 8.71 5.14 0.00 2.85 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 30 V 8.97 4.88 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.99 0.00 0.00 31 V 8.69 4.96 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 0.56 0.00 0.00 1.00 0.00 0.00 32 G 8.43 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 33 P 0.00 4.91 0.00 2.04 2.11 0.00 3.72 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 34 S 7.14 4.35 0.00 3.81 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 *36 E 8.98 2.54 0.00 1.69 1.61 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 1.75 1.98 0.00 37 E 7.30 4.03 0.00 2.02 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 2.25 2.10 0.00 38 T 6.76 4.32 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 1.20 0.00 0.00 39 Y 7.51 4.32 0.00 2.81 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 40 P 0.00 4.23 0.00 2.15 2.11 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 41 A 7.97 4.01 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 42 I 7.90 3.67 1.99 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 1.51 1.14 0.79 0.00 0.00 43 R 7.91 3.92 0.00 1.90 2.08 0.00 3.09 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 1.54 1.78 0.00 44 K 8.21 4.20 0.00 1.86 2.02 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 45 G 8.09 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 46 W 7.60 4.45 0.00 3.40 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 47 F 8.06 3.91 0.00 2.95 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 48 G 5.38 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.56 4.62 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 1.29 0.00 0.00 50 Q 8.39 3.99 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 51 K 7.82 3.95 0.00 1.68 1.73 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.48 7.81 52 G 8.81 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 53 L 7.24 3.78 0.00 1.41 1.21 -0.68 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.50 4.99 0.00 2.56 2.74 0.00 5.51 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 55 L 8.93 4.41 0.00 1.82 1.99 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.47 5.22 0.00 2.84 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 57 S 8.33 5.50 0.00 4.08 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 58 F 8.68 5.85 0.00 3.31 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.31 4.94 2.51 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 1.10 0.00 0.00 1.18 0.00 0.00 60 H 9.58 4.72 0.00 3.17 3.54 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.73 4.70 0.00 1.67 1.66 1.17 1.27 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 62 H 9.50 4.84 0.00 3.22 3.34 0.00 5.43 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 63 H 7.98 5.33 0.00 3.05 3.20 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.58 4.39 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 1.14 0.00 0.00 1.03 0.00 0.00 65 D 10.18 4.62 0.00 3.07 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 66 G 8.56 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.00 5.02 0.00 3.12 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 68 R 9.36 4.27 0.00 2.03 1.73 0.00 2.76 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 69 I 8.45 4.48 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.91 0.00 0.00 70 H 9.31 5.04 0.00 3.21 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.61 5.48 0.00 1.49 1.58 0.90 0.82 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 72 T 8.70 4.81 4.30 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 1.25 0.00 0.00 73 S 8.94 4.23 0.00 3.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.01 4.66 0.00 1.90 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 0.00 2.21 2.29 0.00 75 A 7.77 3.93 0.27 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 *80 E 8.08 4.23 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 81 E 8.95 4.10 0.00 1.97 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 2.30 2.29 0.00 82 K 7.74 4.95 0.00 1.51 1.45 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.19 1.43 7.81 83 R 8.94 4.69 0.00 1.41 1.44 0.00 2.98 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 84 L 8.10 4.60 0.00 1.61 1.44 0.87 0.74 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 85 Y 9.05 5.03 0.00 2.89 2.78 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 86 F 9.42 5.04 0.00 3.12 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 87 V 8.20 4.12 1.70 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 0.41 0.00 0.00 0.81 0.00 0.00 88 N 7.84 4.83 0.00 2.56 2.53 0.00 0.00 6.72 7.56 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 89 F 8.51 5.01 0.00 3.12 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 90 G 8.47 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 *100 E 8.09 4.04 0.00 1.88 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 2.14 2.25 0.00 101 Y 7.76 3.63 0.00 3.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 7.85 4.50 0.00 3.58 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.15 4.90 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.39 5.17 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.74 4.74 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 1.24 0.00 0.00 106 V 8.50 5.04 2.29 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 1.08 0.00 0.00 1.41 0.00 0.00 107 V 8.99 4.83 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 0.74 0.00 0.00 1.04 0.00 0.00 108 V 8.09 4.84 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 0.08 0.00 0.00 0.91 0.00 0.00 109 A 8.86 4.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.78 4.70 0.00 2.81 2.91 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 0.00 111 S 7.61 4.69 0.00 3.93 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 0.00 112 P 0.00 3.59 0.00 2.10 2.09 0.00 3.56 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 113 Q 7.81 3.91 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 114 S 8.00 4.10 0.00 4.02 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 0.00 115 A 7.60 3.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.76 3.90 0.00 1.96 1.84 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.53 7.81 117 Q 7.85 4.03 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 118 L 7.89 4.10 0.00 1.85 1.77 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.06 4.28 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.94 0.00 2.02 2.02 0.00 3.24 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 121 A 7.63 4.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.74 4.19 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 123 F 7.67 4.33 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 4.19 0.00 3.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 V 7.62 3.74 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 0.82 0.00 0.00 0.93 0.00 0.00 143 D 8.52 5.06 0.00 2.65 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 0.00 144 D 8.02 5.12 0.00 2.80 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 C 8.68 5.11 0.00 3.05 2.76 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 0.00 0.00 0.00 146 L 9.38 4.84 0.00 1.88 1.78 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.79 4.17 0.00 2.96 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 0.00 148 V 8.29 3.94 1.68 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 0.23 0.00 0.00 0.05 0.00 0.00 149 D 8.23 4.66 0.00 2.84 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 0.00 150 L 7.68 4.75 0.00 1.42 1.41 0.76 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.53 4.17 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 1.02 0.00 0.00 0.88 0.00 0.00 152 D 9.64 4.35 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.96 4.10 0.00 2.78 2.76 0.00 0.00 7.00 8.16 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 0.00 154 H 7.72 5.03 0.00 3.28 3.16 0.00 5.80 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 0.00 155 Y 9.01 4.75 0.00 2.92 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 0.00 156 V 8.78 4.60 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 0.76 0.00 0.00 0.90 0.00 0.00 157 T 8.75 4.92 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 1.23 0.00 0.00 158 L 8.64 5.43 0.00 1.59 1.76 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.09 4.78 0.00 2.15 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 2.27 2.31 0.00 160 F 9.17 4.33 0.00 2.66 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 0.00 161 D 8.27 4.55 0.00 2.55 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 0.00 162 G 7.45 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 7.97 3.97 0.00 1.84 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 2.12 2.15 0.00 164 Q 8.27 4.61 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 165 Q 8.24 4.44 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 166 P 0.00 4.43 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 167 L 8.31 4.49 0.00 1.71 1.73 0.99 1.17 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 0.00 168 V 7.32 4.40 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 0.76 0.00 0.00 0.95 0.00 0.00 169 P 0.00 4.48 0.00 1.78 1.92 0.00 3.27 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 1.53 0.93 0.00 170 D 8.68 4.51 0.00 2.56 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 0.00 171 W 7.21 4.97 0.00 3.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 7.96 4.06 0.00 1.48 1.41 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.62 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.00 1.07 7.81 173 G 6.47 3.72 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 0.00 0.00 0.00 174 Y 8.49 4.96 0.00 2.93 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 0.00 175 Q 8.98 4.49 0.00 2.26 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 176 P 0.00 4.52 0.00 1.89 1.87 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 177 L 8.07 3.83 0.00 1.18 1.14 0.52 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.37 0.00 2.03 1.96 0.00 3.45 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 179 E 8.50 4.24 0.00 1.92 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 2.19 2.24 0.00 180 G 7.96 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.