NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3889 8.3044 118.1921 55.0008 33.3996 175.6351 1 M 3.7921 8.1111 119.4585 54.7721 32.5519 173.2888 2 K 4.5386 8.7402 126.8788 54.3491 35.5763 174.3548 3 R 4.6328 8.5407 125.6440 54.3074 32.4022 174.7169 4 V 4.5037 8.0337 123.4955 60.1211 34.6288 174.2174 5 H 4.5156 8.6378 122.2536 55.2244 30.9799 175.9923 6 R 3.8319 8.2951 122.2217 59.5910 29.0616 178.5501 7 T 4.0791 7.8418 106.3751 63.3265 69.1513 174.4807 8 D 4.6529 8.1570 121.5580 53.9454 41.0254 175.9113 9 V 4.2101 7.3409 120.1531 60.3312 32.7014 175.2380 10 K 4.0849 8.5564 128.9918 56.5824 32.8042 175.7851 11 A 4.4313 8.5421 129.2712 51.6520 19.2230 176.3159 12 E 4.7510 8.9008 122.6311 54.1233 32.8869 175.9546 13 I 4.2288 8.3850 123.7225 61.5211 37.7008 176.7269 14 V 3.7302 8.3050 119.8935 61.6508 31.9586 176.7642 15 R 4.1879 8.3494 120.2414 57.5485 30.9428 176.8971 16 E 3.9543 8.1660 119.7668 55.5084 29.8708 174.2206 17 P 4.3523 0.0000 0.0000 64.0146 31.8290 176.9631 18 G 3.1272 8.5691 109.3702 45.8943 0.0000 173.6074 19 A 4.4737 7.4278 122.3277 51.8890 19.2374 177.1722 20 K 4.7272 8.9401 120.6085 55.7962 35.2122 176.6413 21 E 3.7191 9.0181 121.2276 57.8655 27.3306 173.6508 22 T 5.3381 7.9518 114.0964 62.0485 72.1764 173.4821 23 T 5.2589 8.9741 115.7684 60.1004 72.8324 172.2976 24 H 4.9217 9.2294 116.4287 53.8294 32.4728 172.5434 25 R 4.6273 8.6194 119.5907 54.4844 32.8016 175.4290 26 K 4.2391 8.4717 124.9846 55.5868 30.1403 176.8926 27 L 4.1468 8.2595 123.7790 57.0488 42.7541 177.2919 28 I 4.7214 7.9675 119.6885 59.6032 40.8561 174.6460 29 D 4.9327 9.3915 125.8421 52.5488 44.9043 175.6739 30 T 4.5432 8.3907 109.2420 63.7108 68.5417 174.6342 31 P 4.2377 0.0000 0.0000 64.8677 31.4286 176.9251 32 D 4.3862 7.9271 116.9540 54.9826 40.9006 177.1285 33 G 3.9748 8.1353 106.6156 44.8104 0.0000 173.9112 34 A 3.9629 7.9502 124.2461 52.1083 18.7459 177.6151 35 D 4.8796 8.3765 119.7803 52.6491 41.1988 176.0400 36 R 4.6437 7.6546 118.1806 57.3089 33.2791 175.3292 37 F 5.4735 7.1223 110.2858 55.5344 41.2973 173.9852 38 V 4.6925 9.2446 112.5955 59.6160 36.6374 174.2771 39 L 5.2296 8.8553 123.2977 53.8525 44.9069 175.3124 40 T 5.0018 9.0061 122.3691 61.6962 72.8767 172.4095 41 E 4.8659 8.9099 126.9065 54.7856 31.3963 174.7485 42 F 4.8462 8.7765 126.1537 55.9330 41.8808 174.6432 43 E 4.9703 8.9131 121.8544 54.7438 33.1871 173.9931 44 V 4.7794 8.9544 127.6591 61.5133 33.4105 175.6853 45 S 5.0164 8.9471 125.2381 56.8462 64.3399 172.3313 46 P 4.7635 0.0000 0.0000 63.0878 31.8287 176.2971 47 N 4.3955 8.2295 117.6040 54.0067 36.6781 174.4745 48 G 4.2830 7.7812 105.0840 45.6489 0.0000 173.6118 49 S 5.5121 8.4090 113.3787 57.8814 66.6239 174.7257 50 T 5.1504 8.7789 111.2978 58.9043 71.5067 171.9201 51 P 2.9700 0.0000 0.0000 61.5918 31.9947 174.3292 52 P 4.5017 0.0000 0.0000 63.2793 32.6868 175.0060 53 H 5.4913 8.8891 118.6445 54.7343 32.6991 171.6074 54 F 5.1588 8.5746 112.3836 56.1741 41.4811 173.0193 55 H 4.7456 8.0157 112.8279 54.1372 31.2284 173.4436 56 E 4.6408 8.4799 119.7111 54.8157 28.8284 177.2289 57 W 5.1954 7.1858 113.4876 55.3679 31.1339 175.7301 58 E 4.3270 9.1874 122.0997 56.6123 30.5138 175.3958 59 H 5.2378 8.7297 118.1265 54.2218 31.9294 173.2587 60 E 5.2638 8.8559 121.0845 54.7595 32.3945 175.0539 61 I 5.3127 9.0356 125.2697 59.6440 40.9125 174.0014 62 Y 5.0178 8.9620 126.2319 55.8120 41.9602 174.2419 63 V 4.1860 8.3331 127.7820 62.8523 32.1769 176.3338 64 L 4.4017 9.0829 128.8915 57.2956 42.4449 177.2383 65 E 4.5739 8.0826 116.3099 56.2281 33.9292 177.1425 66 G 4.6831 9.6660 110.7116 45.6129 0.0000 172.1467 67 S 4.9109 8.1714 111.9400 57.7555 66.2880 172.7514 68 M 4.5929 8.6695 117.1022 54.8749 35.1825 173.1251 69 G 4.2080 9.1472 107.0254 44.7919 0.0000 172.9250 70 L 4.6064 8.8266 127.8951 53.4615 43.1887 175.4223 71 V 3.9415 8.4676 128.4503 62.6286 32.8580 175.0650 72 L 5.1192 8.8454 128.0395 51.7040 41.8979 175.1263 73 P 4.1926 0.0000 0.0000 65.5334 31.7618 178.0802 74 D 4.5343 7.9176 114.9718 55.6268 39.6579 176.5785 75 Q 4.3995 8.2412 118.2135 54.8134 29.3051 176.2300 76 G 4.0061 8.1055 105.3483 45.8700 0.0000 173.4208 77 R 4.7054 6.8959 113.6640 56.4279 33.3279 173.0960 78 T 4.9474 8.2364 114.6905 61.8816 71.8703 173.3300 79 E 4.4527 8.9975 128.1411 54.7400 31.2647 174.7712 80 E 4.6869 8.7817 127.1289 56.3462 30.5778 176.5590 81 V 4.5955 8.3414 117.3529 58.9903 35.7025 175.1569 82 G 4.5474 8.5401 108.5035 44.3637 0.0000 170.1235 83 P 4.4256 0.0000 0.0000 64.0571 31.6172 177.2795 84 G 3.7560 8.6528 110.3219 44.6815 0.0000 173.0094 85 E 4.3833 7.4158 119.9165 55.1231 31.1741 175.0274 86 A 5.1837 8.4644 125.4091 50.3317 21.3623 175.9402 87 I 4.5773 8.8791 122.8331 59.3981 40.9660 174.1272 88 F 5.2438 9.0294 129.3363 56.5951 41.1440 174.6136 89 I 4.1384 8.0357 127.9163 58.4826 39.2173 173.7105 90 P 4.2233 0.0000 0.0000 61.7453 32.8778 176.0867 91 R 4.0256 8.4393 119.1769 58.4307 30.2610 177.4053 92 G 3.9695 8.8078 111.1878 45.1329 0.0000 173.0461 93 E 4.0487 7.5141 121.2668 55.1585 29.9503 174.9015 94 P 4.8546 0.0000 0.0000 63.1851 32.2766 175.2989 95 H 4.8025 8.8849 116.9252 55.1790 32.3185 172.7000 96 G 4.2527 8.2233 106.3579 45.5195 0.0000 171.2972 97 F 5.6968 8.7172 117.0505 55.7289 43.1427 175.1621 98 V 5.3323 8.7772 120.2808 60.7113 35.2715 173.5910 99 T 5.0545 9.1659 112.7635 60.2652 72.5222 174.1406 100 G 4.1000 9.0548 111.2191 44.6016 0.0000 171.4129 101 P 4.9003 0.0000 0.0000 63.0831 31.9113 177.5589 102 G 4.0459 8.9048 109.0360 45.2048 0.0000 173.5824 103 Q 4.8379 7.6170 118.2904 54.4342 31.7756 175.1104 104 T 5.1330 8.3337 118.0429 62.1282 73.3039 172.3463 105 C 5.3829 9.2839 124.6594 57.8426 35.5588 172.6342 106 R 5.3239 9.0881 124.6514 54.4439 32.9406 174.7622 107 F 5.4057 8.8374 117.5051 55.5775 41.9478 173.3133 108 L 5.0300 9.2524 121.3046 54.1448 43.6460 175.8018 109 V 5.0570 9.1042 122.8196 61.2439 34.1455 174.2167 110 V 4.9825 9.1856 128.3612 61.8090 33.1678 174.4909 111 A 5.1455 8.9422 128.5513 49.3104 22.8799 173.6233 112 P 4.8963 0.0000 0.0000 63.0038 31.8612 176.4012 113 C 4.2256 8.6065 118.9795 62.5687 28.7817 174.3458 114 E 4.1406 8.0004 118.6393 55.6076 29.2430 176.7119 115 R 3.6001 7.8331 123.0703 52.6773 31.0957 173.2126 116 P 4.4939 0.0000 0.0000 61.4011 32.1801 175.1507 117 P 4.4384 0.0000 0.0000 62.8065 31.7616 177.0314 118 V 3.9898 8.1593 114.7043 61.3181 32.7314 175.5732 119 R 4.4012 8.1299 122.1937 54.2645 32.6409 175.2714 120 N 4.7668 8.4757 120.8916 53.0176 39.0970 175.5876 121 V 3.6489 8.5752 123.4761 65.3468 32.2549 176.2645 122 F 4.8542 7.8718 118.9959 55.6332 40.0735 174.8291 123 L 4.5888 8.4481 126.4546 53.5583 42.7783 176.2277 124 S 4.6748 8.0140 115.3349 57.5512 65.3823 175.0997 125 E 4.0090 8.8796 121.8861 59.4084 29.7067 177.2079 126 D 4.5708 8.0020 120.2058 53.0616 41.3121 174.5677 127 P 4.5250 0.0000 0.0000 64.3687 31.9443 176.8974 128 Y 4.4216 8.4706 116.9041 58.3018 38.6483 177.0548 129 E 3.9673 8.2926 122.1702 58.9516 30.2061 178.1414 130 Y 3.9703 8.2998 117.1239 60.0043 37.7621 178.6017 131 T 3.6342 6.3821 109.2825 63.7398 68.8323 175.2307 132 Q 4.1443 7.9343 120.6437 57.5759 29.4035 176.4479 133 M 4.2727 7.6181 119.3599 53.9478 33.3989 175.3398 134 P 4.5578 0.0000 0.0000 65.1871 31.3245 178.5890 135 E 4.0584 8.0581 115.8799 58.8812 29.7226 178.1357 136 Y 4.2695 7.5068 119.7105 60.5739 39.2076 177.2925 137 T 3.6904 8.0796 110.8356 64.7962 68.4987 176.2415 138 S 4.0829 8.0274 115.2348 61.1934 62.5681 175.9194 139 L 4.0866 7.7901 121.7306 57.4403 41.0724 179.2323 140 L 3.9658 7.4431 120.6860 57.6183 41.6108 177.5026 *143 E 4.1520 8.0668 118.5889 56.0023 30.4516 179.6697 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 0 M 8.30 4.39 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 1 M 8.11 3.79 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 2 K 8.74 4.54 0.00 1.69 1.62 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.36 7.81 3 R 8.54 4.63 0.00 1.75 1.75 0.00 3.42 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 4 V 8.03 4.50 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 0.75 0.00 0.00 nan 0.00 0.00 5 H 8.64 4.52 0.00 3.25 3.22 0.00 5.89 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.30 3.83 0.00 1.94 2.09 0.00 2.96 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.00 7 T 7.84 4.08 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 8 D 8.16 4.65 0.00 2.83 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 9 V 7.34 4.21 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 0.74 0.00 0.00 0.89 0.00 0.00 10 K 8.56 4.08 0.00 1.78 1.66 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.43 7.81 11 A 8.54 4.43 1.20 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 12 E 8.90 4.75 0.00 1.76 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 2.14 2.31 0.00 13 I 8.38 4.23 1.91 0.00 0.00 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 1.37 0.77 0.97 0.00 0.00 14 V 8.31 3.73 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 0.75 0.00 0.00 1.01 0.00 0.00 15 R 8.35 4.19 0.00 1.83 2.01 0.00 3.42 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 16 E 8.17 3.95 0.00 2.06 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 2.36 2.36 0.00 17 P 0.00 4.35 0.00 2.02 1.93 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 18 G 8.57 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.43 4.47 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.94 4.73 0.00 1.90 1.79 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.67 7.81 21 E 9.02 3.72 0.00 2.23 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 0.00 2.37 2.48 0.00 22 T 7.95 5.34 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 1.43 0.00 0.00 23 T 8.97 5.26 4.32 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 1.23 0.00 0.00 24 H 9.23 4.92 0.00 2.17 2.26 0.00 5.20 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 25 R 8.62 4.63 0.00 1.57 1.74 0.00 3.15 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.45 0.00 26 K 8.47 4.24 0.00 1.53 1.70 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.25 7.81 27 L 8.26 4.15 0.00 1.64 1.70 0.89 0.79 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 28 I 7.97 4.72 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.92 0.89 0.00 0.00 29 D 9.39 4.93 0.00 2.60 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 30 T 8.39 4.54 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 31 P 0.00 4.24 0.00 2.03 2.13 0.00 3.58 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 1.99 2.07 0.00 32 D 7.93 4.39 0.00 2.77 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 33 G 8.14 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 0.00 0.00 0.00 34 A 7.95 3.96 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 35 D 8.38 4.88 0.00 2.67 2.64 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 36 R 7.65 4.64 0.00 1.54 2.05 0.00 3.16 0.00 0.00 3.40 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 37 F 7.12 5.47 0.00 3.05 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 38 V 9.24 4.69 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 0.68 0.00 0.00 1.00 0.00 0.00 39 L 8.86 5.23 0.00 1.83 1.52 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.01 5.00 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 0.72 0.00 0.00 41 E 8.91 4.87 0.00 1.95 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 0.00 2.12 2.22 0.00 42 F 8.78 4.85 0.00 1.51 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 0.00 0.00 0.00 0.00 43 E 8.91 4.97 0.00 1.95 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 0.00 2.22 2.42 0.00 44 V 8.95 4.78 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 1.05 0.00 0.00 1.15 0.00 0.00 45 S 8.95 5.02 0.00 3.92 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 46 P 0.00 4.76 0.00 1.96 2.11 0.00 3.89 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 47 N 8.23 4.40 0.00 2.97 2.94 0.00 0.00 6.73 7.97 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 48 G 7.78 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 0.00 0.00 0.00 0.00 49 S 8.41 5.51 0.00 4.22 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 50 T 8.78 5.15 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 1.39 0.00 0.00 51 P 0.00 2.97 0.00 1.71 1.35 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 52 P 0.00 4.50 0.00 2.13 2.02 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.25 0.00 53 H 8.89 5.49 0.00 3.11 3.20 0.00 5.26 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.57 5.16 0.00 2.96 2.90 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 55 H 8.02 4.75 0.00 2.77 3.08 0.00 5.64 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 56 E 8.48 4.64 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 57 W 7.19 5.20 0.00 3.36 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 58 E 9.19 4.33 0.00 2.08 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 2.48 2.60 0.00 59 H 8.73 5.24 0.00 3.00 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.86 5.26 0.00 2.04 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 2.53 2.50 0.00 61 I 9.04 5.31 1.95 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 1.27 0.92 0.96 0.00 0.00 62 Y 8.96 5.02 0.00 3.12 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 63 V 8.33 4.19 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 0.97 0.00 0.00 0.82 0.00 0.00 64 L 9.08 4.40 0.00 1.82 1.81 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.08 4.57 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 66 G 9.67 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.17 4.91 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 M 8.67 4.59 0.00 2.16 2.39 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 69 G 9.15 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 70 L 8.83 4.61 0.00 1.69 1.65 0.59 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.47 3.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 72 L 8.85 5.12 0.00 1.62 1.46 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.19 0.00 2.05 2.06 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 74 D 7.92 4.53 0.00 2.71 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 75 Q 8.24 4.40 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.20 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 76 G 8.11 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 0.00 0.00 0.00 0.00 77 R 6.90 4.71 0.00 1.80 2.00 0.00 2.96 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 78 T 8.24 4.95 4.18 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 0.00 0.00 0.00 1.21 0.00 0.00 79 E 9.00 4.45 0.00 2.03 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 2.20 2.29 0.00 80 E 8.78 4.69 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 2.29 2.27 0.00 81 V 8.34 4.60 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 0.92 0.00 0.00 82 G 8.54 4.55 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 0.00 0.00 0.00 83 P 0.00 4.43 0.00 2.05 2.02 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 84 G 8.65 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 85 E 7.42 4.38 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 86 A 8.46 5.18 1.32 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 0.00 0.00 87 I 8.88 4.58 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.78 0.90 0.00 0.00 88 F 9.03 5.24 0.00 2.98 2.98 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 89 I 8.04 4.14 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.42 0.58 0.00 0.00 90 P 0.00 4.22 0.00 2.05 2.15 0.00 3.43 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 91 R 8.44 4.03 0.00 1.84 1.97 0.00 3.31 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 92 G 8.81 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 0.00 0.00 0.00 93 E 7.51 4.05 0.00 1.88 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 0.00 2.19 2.22 0.00 94 P 0.00 4.85 0.00 1.84 1.85 0.00 3.61 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 2.02 1.65 0.00 95 H 8.88 4.80 0.00 2.80 3.14 0.00 5.27 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 96 G 8.22 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 0.00 0.00 0.00 0.00 97 F 8.72 5.70 0.00 3.02 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 98 V 8.78 5.33 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 0.86 0.00 0.00 1.07 0.00 0.00 99 T 9.17 5.05 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 1.30 0.00 0.00 100 G 9.05 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.90 0.00 2.20 1.99 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 102 G 8.90 4.05 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 0.00 0.00 0.00 103 Q 7.62 4.84 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 104 T 8.33 5.13 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 0.00 105 C 9.28 5.38 0.00 3.16 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 0.00 106 R 9.09 5.32 0.00 1.83 1.81 0.00 3.18 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 107 F 8.84 5.41 0.00 3.21 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 0.00 108 L 9.25 5.03 0.00 1.80 1.74 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.10 5.06 2.47 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 1.20 0.00 0.00 1.00 0.00 0.00 110 V 9.19 4.98 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 0.98 0.00 0.00 1.02 0.00 0.00 111 A 8.94 5.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.90 0.00 2.19 2.17 0.00 3.99 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.16 0.00 113 C 8.61 4.23 0.00 2.86 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 0.00 114 E 8.00 4.14 0.00 1.92 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 2.25 2.25 0.00 115 R 7.83 3.60 0.00 1.12 0.66 0.00 2.21 0.00 0.00 2.58 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 116 P 0.00 4.49 0.00 2.27 2.12 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 117 P 0.00 4.44 0.00 2.05 2.03 0.00 3.70 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 2.03 2.12 0.00 118 V 8.16 3.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.85 0.00 0.00 119 R 8.13 4.40 0.00 0.67 1.12 0.00 3.00 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.21 0.00 120 N 8.48 4.77 0.00 2.56 2.82 0.00 0.00 7.00 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 0.00 121 V 8.58 3.65 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 -0.25 0.00 0.00 0.86 0.00 0.00 122 F 7.87 4.85 0.00 3.11 2.95 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 0.00 123 L 8.45 4.59 0.00 1.67 1.62 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.01 4.67 0.00 3.97 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 0.00 125 E 8.88 4.01 0.00 2.01 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 0.00 2.33 2.31 0.00 126 D 8.00 4.57 0.00 2.80 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 0.00 127 P 0.00 4.52 0.00 2.21 2.23 0.00 3.86 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 128 Y 8.47 4.42 0.00 3.12 2.90 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 0.00 129 E 8.29 3.97 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 130 Y 8.30 3.97 0.00 2.75 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 0.00 131 T 6.38 3.63 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 0.27 0.00 0.00 132 Q 7.93 4.14 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 133 M 7.62 4.27 0.00 2.08 1.74 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 134 P 0.00 4.56 0.00 2.15 2.11 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 135 E 8.06 4.06 0.00 2.06 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 0.00 2.46 2.51 0.00 136 Y 7.51 4.27 0.00 2.36 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 0.00 137 T 8.08 3.69 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 1.25 0.00 0.00 138 S 8.03 4.08 0.00 3.93 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 0.00 139 L 7.79 4.09 0.00 1.67 1.61 1.12 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.44 3.97 0.00 1.60 1.61 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *143 E 8.07 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.