NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6706 8.2233 120.5349 53.9937 42.4092 176.0326 3 D 4.2736 8.8226 124.7313 56.5415 40.7006 177.1903 4 R 3.8878 8.1662 119.0047 59.3818 30.5242 177.8579 5 L 3.9342 7.9100 119.5922 57.9936 41.9368 178.3410 6 F 4.1186 8.1088 119.3815 61.5728 39.4393 176.9582 7 R 3.9488 8.1649 116.3210 59.2624 29.9256 178.4677 8 N 4.4160 8.2351 115.3097 56.1056 38.8326 178.2471 9 A 4.0831 7.9709 119.6361 52.6151 18.3323 179.2072 *11 G 3.7592 8.1084 110.3857 46.6773 0.0000 175.5648 12 K 3.8974 7.8073 118.1642 57.7727 32.2149 176.8319 13 F 4.5672 8.0310 121.2327 56.4583 38.7790 174.7315 14 A 4.6625 8.0791 130.5314 52.4038 19.0437 176.1658 15 T 4.5818 8.8961 110.1362 59.8745 73.1301 174.0718 16 G 4.1989 8.5916 109.5163 45.2467 0.0000 172.4543 17 V 4.7888 8.3455 118.2277 61.2415 34.9257 174.8575 18 T 5.1096 8.8929 116.8221 59.8447 72.6827 172.5917 19 V 4.5117 8.5690 122.1897 61.1038 34.2559 174.2839 20 I 4.7278 8.2026 128.8420 60.6837 38.5544 174.8334 21 T 5.1466 8.7622 117.2151 60.4869 72.1391 172.8211 22 T 4.9062 8.7078 116.7783 61.2231 71.8025 171.4784 23 E 5.0502 8.5690 124.1150 54.1833 32.4617 174.9418 24 L 4.4035 8.6969 128.0068 53.8072 43.9361 175.7205 25 N 4.0394 9.8388 125.6845 54.0172 35.8281 173.1651 26 G 4.2510 8.2285 109.6338 45.4777 0.0000 172.7435 27 A 4.0226 7.5570 123.2539 51.4173 19.0540 176.0496 28 V 4.2619 8.0102 123.3296 62.3096 32.5365 174.8375 29 H 4.9886 9.3660 125.0757 54.2166 32.1625 173.4088 30 G 4.4925 8.4480 108.0399 44.6740 0.0000 171.3297 *32 T 4.4084 8.4227 114.7826 63.4351 69.7696 173.5029 33 A 4.7010 8.9554 128.1707 50.8525 22.3101 176.1598 34 N 4.9550 8.7227 117.3726 52.6489 39.3748 175.7236 35 A 4.3943 7.7468 123.9114 51.2622 16.6695 175.2164 36 F 5.7075 7.6114 122.5285 54.4450 43.5243 173.4759 *38 S 4.0453 8.3148 115.4018 58.1648 62.9586 172.0475 39 V 4.1598 8.4759 125.9050 63.8908 33.0172 175.5606 40 S 4.6402 7.4620 112.7435 56.5868 65.5516 173.9856 41 L 3.9930 8.6492 128.3282 56.8621 42.3171 176.2663 42 N 4.8104 7.7927 116.5879 50.4841 40.0618 172.2693 43 P 4.4725 0.0000 0.0000 61.7200 32.6869 176.5251 44 K 4.5735 8.3671 117.5996 56.1504 32.1965 176.2718 45 L 5.4809 8.9834 125.6693 52.8364 45.7837 176.0412 46 V 4.8289 8.9246 120.2272 60.5299 35.7673 173.5426 47 L 5.4246 8.1320 121.1634 53.7603 45.5693 174.5710 48 V 4.8555 8.8396 124.0747 59.9621 35.2921 174.1546 49 S 5.2077 8.6656 116.1837 56.7399 64.6026 173.0855 50 I 4.6120 8.7908 128.2281 59.0611 40.0168 175.7180 51 G 3.7312 8.6544 114.1788 45.9338 0.0000 174.4018 52 E 4.1643 8.7579 120.3500 58.3531 29.7555 178.0502 53 K 4.2502 7.8582 116.4832 56.2668 32.7851 176.2634 54 A 4.3157 7.6240 123.4042 51.2678 18.9087 179.8446 55 K 4.1703 8.4620 125.4641 55.9208 31.6704 179.0264 *57 L 4.3391 8.0406 121.3417 55.1392 44.0941 178.2944 58 E 4.3422 7.8904 117.8379 58.5872 29.5067 178.8112 59 K 3.8391 7.6556 119.0877 59.6551 32.1603 179.3105 60 I 3.6388 7.4641 119.2816 64.1844 36.4560 178.2712 61 Q 4.2188 8.1215 119.0627 59.0334 28.2981 179.0706 62 Q 4.0240 7.9530 118.2393 59.0442 29.0511 178.5282 63 S 4.2211 8.1214 113.7016 59.0573 63.2710 174.4128 64 K 4.0204 8.6006 121.0418 56.4400 30.1519 174.2567 65 K 5.0683 7.5737 115.5745 56.2983 35.9317 174.4293 66 Y 5.0051 8.2135 116.6256 56.2765 41.5185 172.9106 67 A 5.2221 9.0006 123.0951 50.2727 22.6360 175.4518 68 V 4.3369 8.7923 121.2822 61.2900 33.8694 174.3679 69 N 4.8653 8.9920 126.8209 51.5004 40.3246 174.1463 70 I 4.2804 8.3582 126.3906 60.9672 38.5470 175.6173 71 L 4.9622 8.9979 128.2085 53.9311 43.3876 176.9703 72 S 4.6985 9.1427 118.2422 57.6168 64.2053 174.8257 73 Q 3.9478 8.9699 122.3534 59.4011 28.6727 177.5424 74 D 4.7429 7.9265 115.1081 54.5205 41.0935 176.4643 75 Q 4.6201 7.7692 118.2907 55.3514 29.7075 177.7119 76 K 3.5274 8.1742 121.5949 59.4217 32.4070 178.0550 77 V 3.6659 7.7171 117.0754 65.8573 31.7952 176.8425 78 L 4.0861 7.9587 119.2893 57.9699 41.5208 179.2149 79 S 4.3098 7.9579 109.2698 59.7617 62.3880 174.9652 *81 N 4.4975 8.1265 117.4339 53.6424 40.0074 175.8467 82 F 4.5304 8.2881 113.3066 58.4735 38.9788 175.8750 83 A 4.5178 7.7690 122.9471 51.3629 19.0143 177.3780 84 G 3.9015 7.8815 103.7947 47.3012 0.0000 175.0062 85 Q 4.4362 8.1966 116.7771 55.2985 29.6870 175.5890 86 L 4.7618 7.3712 117.7616 52.7309 43.9578 176.4670 87 E 3.9631 8.8201 121.7436 58.4217 29.6608 176.9866 88 K 4.3741 7.6714 119.9685 53.4865 33.1244 173.5368 89 P 4.3568 0.0000 0.0000 63.0269 31.7943 177.0512 90 V 3.6889 8.4241 115.6730 60.9113 32.0835 176.1940 91 D 4.4498 8.3420 122.1729 53.6928 40.3797 175.6966 92 V 3.7994 7.9718 126.6932 61.6921 32.7527 175.4241 93 Q 4.2135 8.2315 125.8886 55.5474 29.3551 174.6312 94 F 5.4664 8.6830 123.2705 55.9928 41.3297 175.6958 95 E 5.0547 9.2341 120.9044 55.1023 32.9147 173.8992 96 E 5.0300 8.7107 118.3007 54.9628 33.0793 175.8343 97 L 4.3185 9.1441 127.2419 54.9195 44.9930 175.5704 98 G 4.0670 9.1399 115.0289 45.8895 0.0000 174.2377 99 G 3.9216 8.5584 106.1199 44.9554 0.0000 174.0098 100 L 4.7396 7.5032 119.9221 51.6710 44.1356 173.9121 101 P 4.8730 0.0000 0.0000 63.1132 32.0296 175.8803 102 V 4.7455 8.9134 115.7708 59.6146 36.7212 174.3571 103 I 4.5853 8.8848 123.8492 59.7934 38.3754 175.8545 104 K 4.1578 8.3954 129.1126 57.9624 32.4764 176.3244 105 D 4.4758 8.9371 123.2208 54.5674 38.3762 174.0545 106 A 4.3605 7.4523 121.6888 52.0881 19.2302 177.8730 107 L 4.1798 8.8466 122.5983 57.4433 43.1650 176.9414 108 A 5.1908 7.7223 117.7200 50.7306 23.0017 174.9173 109 Q 4.9786 9.4380 118.7514 54.1697 32.8171 174.9090 110 I 4.9256 8.5088 123.5452 59.9508 41.1199 174.3033 111 S 4.9749 9.1006 124.4561 57.3883 64.9311 173.5151 112 C 5.1990 8.6986 120.3639 58.1091 32.8078 172.7736 113 Q 4.8417 8.6585 121.1073 53.7883 30.9073 175.3278 114 V 4.2381 8.5312 125.1947 63.4878 31.5407 175.9745 115 V 4.4668 8.9026 120.4184 61.5140 33.8269 175.1962 116 N 5.0310 7.9249 117.6515 52.3893 42.5051 172.6949 117 E 5.0170 8.6531 122.6049 54.5162 33.2829 175.2879 118 V 4.2698 8.3796 123.6859 60.8708 34.6324 174.3231 119 Q 4.3617 8.7411 129.4844 56.0316 30.1660 175.6826 120 A 4.3804 9.3736 129.3628 51.1736 21.5502 177.2547 121 G 3.8130 8.4456 114.5401 46.9817 0.0000 174.5669 122 D 4.6048 8.8629 124.2228 57.1065 41.6546 174.8709 123 H 5.3661 8.5414 113.8866 54.2126 33.9092 172.3974 124 T 4.8839 8.8318 116.3243 61.7559 71.5652 173.5172 125 L 4.6924 8.9083 127.1591 54.1805 43.3977 175.7549 126 F 5.1316 9.3183 123.9418 55.9361 40.9941 174.8950 127 I 4.7260 8.7531 126.3092 60.3606 38.6224 175.3636 128 G 4.3718 9.3769 114.7050 44.2478 0.0000 171.3411 129 E 4.9001 9.0420 126.2895 55.1197 31.2351 175.2710 130 V 4.3403 8.5394 128.2436 63.0775 31.5152 175.5095 131 T 4.4835 8.9065 118.6104 62.8818 70.5222 174.8105 132 D 4.8542 7.7253 120.1875 52.9168 45.5185 174.5171 133 I 4.9608 8.2960 121.8856 59.5054 41.4492 174.6412 134 K 4.6597 9.2574 126.2424 54.8261 35.4873 174.9721 135 I 5.0266 8.5242 126.9647 59.7296 40.5970 174.3412 136 T 4.6987 8.6330 114.2574 59.7219 72.8816 173.5092 137 E 4.4696 8.4600 118.0540 56.3853 29.9932 176.9032 138 Q 4.2905 7.8482 116.9777 55.6041 29.8883 175.5813 139 D 4.7844 8.3532 119.7601 53.6093 42.2415 174.1253 140 P 5.0099 0.0000 0.0000 61.8474 33.0871 175.3781 141 L 4.2696 8.5286 124.5568 55.3132 43.1247 175.7769 142 L 5.3444 9.0049 125.4953 53.0735 45.6665 175.1377 143 F 5.3338 9.3228 123.0126 56.7062 42.9601 173.3405 144 F 4.8347 8.8270 127.0668 57.7719 43.2874 174.1357 145 S 3.0363 8.7678 122.1913 59.4515 60.7081 173.5765 146 G 3.6451 7.6293 105.0622 45.3543 0.0000 173.9956 147 K 4.4707 6.6761 118.1591 54.0017 35.7470 175.1956 148 Y 5.0384 8.2767 118.8312 58.8768 38.8584 174.6008 149 H 5.0833 9.4903 118.9975 54.8239 34.1613 171.9792 150 Q 5.0702 8.4847 117.1994 53.7789 32.3850 175.9134 151 L 4.0541 8.4902 120.6158 54.3190 42.3598 177.3158 152 A 4.0688 8.4422 125.6051 52.5462 18.9815 177.6777 153 Q 4.2339 8.5775 120.4649 56.0074 29.0502 175.6700 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 D 8.22 4.67 0.00 2.79 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 3 D 8.82 4.27 0.00 2.83 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 4 R 8.17 3.89 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 5 L 7.91 3.93 0.00 1.82 1.86 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.11 4.12 0.00 3.04 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 7 R 8.16 3.95 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 8 N 8.24 4.42 0.00 2.84 2.81 0.00 0.00 7.03 7.54 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 9 A 7.97 4.08 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 *11 G 8.11 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 12 K 7.81 3.90 0.00 1.96 1.98 0.00 1.69 0.00 0.00 1.26 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.50 7.81 13 F 8.03 4.57 0.00 2.97 3.07 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 14 A 8.08 4.66 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.90 4.58 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 1.43 0.00 0.00 16 G 8.59 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 17 V 8.35 4.79 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.17 0.00 0.00 18 T 8.89 5.11 4.13 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 1.00 0.00 0.00 19 V 8.57 4.51 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 0.11 0.00 0.00 0.91 0.00 0.00 20 I 8.20 4.73 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.86 0.78 0.00 0.00 21 T 8.76 5.15 4.13 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 1.11 0.00 0.00 22 T 8.71 4.91 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 1.18 0.00 0.00 23 E 8.57 5.05 0.00 1.87 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 2.12 2.18 0.00 24 L 8.70 4.40 0.00 1.55 1.55 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.84 4.04 0.00 2.87 2.81 0.00 0.00 7.31 7.65 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 26 G 8.23 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 27 A 7.56 4.02 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 V 8.01 4.26 1.62 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 -0.06 0.00 0.00 0.54 0.00 0.00 29 H 9.37 4.99 0.00 3.01 3.15 0.00 5.61 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 30 G 8.45 4.49 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 *32 T 8.42 4.41 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 1.27 0.00 0.00 33 A 8.96 4.70 1.21 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 34 N 8.72 4.96 0.00 3.05 2.92 0.00 0.00 6.11 7.26 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 35 A 7.75 4.39 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 36 F 7.61 5.71 0.00 2.96 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 *38 S 8.31 4.05 0.00 3.88 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 39 V 8.48 4.16 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 0.89 0.00 0.00 40 S 7.46 4.64 0.00 3.83 3.63 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 41 L 8.65 3.99 0.00 1.63 1.67 0.93 0.92 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 42 N 7.79 4.81 0.00 2.70 2.72 0.00 0.00 6.92 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.47 0.00 2.28 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.37 4.57 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.69 7.81 45 L 8.98 5.48 0.00 1.55 1.55 0.93 0.66 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 46 V 8.92 4.83 2.23 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 1.25 0.00 0.00 1.16 0.00 0.00 47 L 8.13 5.42 0.00 1.73 1.44 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.84 4.86 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 0.32 0.00 0.00 1.01 0.00 0.00 49 S 8.67 5.21 0.00 3.93 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 50 I 8.79 4.61 2.17 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.99 0.00 0.00 51 G 8.65 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 52 E 8.76 4.16 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 53 K 7.86 4.25 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 54 A 7.62 4.32 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 55 K 8.46 4.17 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.44 7.81 *57 L 8.04 4.34 0.00 1.83 1.81 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.89 4.34 0.00 2.21 2.21 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 2.47 2.19 0.00 59 K 7.66 3.84 0.00 1.70 1.82 0.00 1.33 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.61 1.48 7.81 60 I 7.46 3.64 1.02 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.30 0.30 0.00 0.00 61 Q 8.12 4.22 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.90 2.87 0.00 62 Q 7.95 4.02 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 63 S 8.12 4.22 0.00 4.00 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 64 K 8.60 4.02 0.00 1.91 1.93 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.53 7.81 65 K 7.57 5.07 0.00 1.73 1.67 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.35 7.81 66 Y 8.21 5.01 0.00 3.07 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 67 A 9.00 5.22 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 68 V 8.79 4.34 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 0.20 0.00 0.00 1.15 0.00 0.00 69 N 8.99 4.87 0.00 2.62 2.67 0.00 0.00 6.59 7.11 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 70 I 8.36 4.28 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.63 0.90 0.00 0.00 71 L 9.00 4.96 0.00 1.65 1.57 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.14 4.70 0.00 3.90 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 73 Q 8.97 3.95 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 74 D 7.93 4.74 0.00 2.71 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 75 Q 7.77 4.62 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.17 3.53 0.00 1.45 1.64 0.00 1.49 0.00 0.00 1.38 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 0.21 7.81 77 V 7.72 3.67 2.01 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.96 4.09 0.00 1.96 1.91 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.96 4.31 0.00 3.89 3.88 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 *81 N 8.13 4.50 0.00 2.73 2.62 0.00 0.00 7.13 7.71 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 82 F 8.29 4.53 0.00 3.13 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 83 A 7.77 4.52 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 84 G 7.88 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 0.00 0.00 0.00 85 Q 8.20 4.44 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.86 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.58 0.00 86 L 7.37 4.76 0.00 1.55 1.52 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.82 3.96 0.00 1.94 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 2.31 2.23 0.00 88 K 7.67 4.37 0.00 1.63 1.67 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.44 7.81 89 P 0.00 4.36 0.00 2.02 1.88 0.00 3.69 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 2.00 2.07 0.00 90 V 8.42 3.69 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.81 0.00 0.00 91 D 8.34 4.45 0.00 2.60 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 92 V 7.97 3.80 1.73 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 0.29 0.00 0.00 0.85 0.00 0.00 93 Q 8.23 4.21 0.00 1.91 1.98 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 2.33 2.27 0.00 94 F 8.68 5.47 0.00 2.94 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 95 E 9.23 5.05 0.00 1.97 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 0.00 2.20 2.24 0.00 96 E 8.71 5.03 0.00 1.90 1.80 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 2.17 2.26 0.00 97 L 9.14 4.32 0.00 1.69 1.44 0.92 1.07 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 98 G 9.14 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 99 G 8.56 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 0.00 100 L 7.50 4.74 0.00 1.85 1.52 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.87 0.00 1.70 1.80 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 102 V 8.91 4.75 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 103 I 8.88 4.59 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.17 0.84 0.00 0.00 104 K 8.40 4.16 0.00 1.78 1.66 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 105 D 8.94 4.48 0.00 2.85 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 0.00 106 A 7.45 4.36 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 0.00 107 L 8.85 4.18 0.00 1.79 1.91 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.72 5.19 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 0.00 109 Q 9.44 4.98 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 110 I 8.51 4.93 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 1.26 0.78 0.98 0.00 0.00 111 S 9.10 4.97 0.00 3.71 3.71 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 0.00 112 C 8.70 5.20 0.00 1.91 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 0.00 0.00 0.00 0.00 113 Q 8.66 4.84 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.53 4.24 2.27 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 1.06 0.00 0.00 1.14 0.00 0.00 115 V 8.90 4.47 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 0.78 0.00 0.00 1.02 0.00 0.00 116 N 7.92 5.03 0.00 2.78 2.62 0.00 0.00 6.97 7.65 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 0.00 117 E 8.65 5.02 0.00 1.78 1.60 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 1.85 2.36 0.00 118 V 8.38 4.27 2.01 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 0.80 0.00 0.00 0.89 0.00 0.00 119 Q 8.74 4.36 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.37 4.38 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 0.00 121 G 8.45 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.86 4.60 0.00 2.74 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 0.00 123 H 8.54 5.37 0.00 3.09 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.83 4.88 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 0.55 0.00 0.00 125 L 8.91 4.69 0.00 1.47 1.57 0.89 0.93 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 0.00 126 F 9.32 5.13 0.00 2.88 3.16 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 0.00 127 I 8.75 4.73 1.94 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 1.20 0.79 1.01 0.00 0.00 128 G 9.38 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 0.00 129 E 9.04 4.90 0.00 2.04 1.80 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 2.26 2.43 0.00 130 V 8.54 4.34 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 0.85 0.00 0.00 0.98 0.00 0.00 131 T 8.91 4.48 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 1.17 0.00 0.00 132 D 7.73 4.85 0.00 2.55 2.52 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 0.00 0.00 0.00 0.00 133 I 8.30 4.96 1.88 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 1.25 0.61 0.92 0.00 0.00 134 K 9.26 4.66 0.00 1.79 1.58 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.44 7.81 135 I 8.52 5.03 1.88 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 1.41 0.80 0.92 0.00 0.00 136 T 8.63 4.70 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 1.21 0.00 0.00 137 E 8.46 4.47 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 138 Q 7.85 4.29 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 139 D 8.35 4.78 0.00 2.61 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 0.00 140 P 0.00 5.01 0.00 2.11 2.06 0.00 3.78 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 1.98 1.97 0.00 141 L 8.53 4.27 0.00 2.01 1.65 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 142 L 9.00 5.34 0.00 1.77 1.60 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.32 5.33 0.00 3.04 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 0.00 144 F 8.83 4.83 0.00 3.00 2.67 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 0.00 145 S 8.77 3.04 0.00 2.76 3.46 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 0.00 146 G 7.63 3.65 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 0.00 0.00 0.00 147 K 6.68 4.47 0.00 1.65 1.51 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.23 7.81 148 Y 8.28 5.04 0.00 2.98 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 0.00 149 H 9.49 5.08 0.00 3.08 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.48 5.07 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 151 L 8.49 4.05 0.00 1.63 1.59 0.92 0.76 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 0.00 152 A 8.44 4.07 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 0.00 153 Q 8.58 4.23 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.