NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5339 8.3049 120.3289 54.7708 33.0897 173.6416 2 S 4.1380 7.4404 113.8743 57.3753 66.8883 173.2276 3 N 4.6984 9.6514 115.4693 54.5721 39.6127 174.5234 4 T 4.3233 8.1133 118.2912 64.0888 69.1047 174.0810 5 L 4.7464 8.1852 119.3786 55.3866 44.7560 176.7675 6 F 5.0297 7.7131 117.8024 57.3743 42.7429 172.4489 7 D 4.5454 7.3925 122.8152 52.8991 44.3534 173.3852 8 D 4.4554 8.2057 122.8950 53.8962 46.1329 173.5850 9 I 5.0655 7.9313 121.3463 59.5042 39.9102 175.0773 10 F 5.2380 9.1134 125.0550 55.7393 43.2022 174.1022 11 Q 4.9171 9.3559 123.0579 54.0590 31.4672 174.9942 12 V 4.1893 8.2929 127.4469 63.6163 31.9426 176.3398 13 S 4.7743 9.3432 121.1637 58.1925 65.3577 173.9850 14 E 4.4922 8.0716 121.4238 55.5554 32.3152 174.2371 15 V 4.3428 8.5558 128.6098 60.3222 32.0734 173.8833 16 D 4.6955 9.1457 128.6816 52.8312 42.3550 173.3883 17 P 4.6708 0.0000 0.0000 61.5859 30.6555 175.7827 18 G 3.7719 8.4395 118.0558 46.2119 0.0000 171.2483 19 R 3.6693 7.9267 126.1115 57.7630 27.9392 174.8865 20 Y 5.1345 7.4880 111.9623 56.7203 42.6583 175.3202 21 N 4.8919 8.8986 115.9673 54.6191 41.2530 175.9149 22 K 4.4110 8.0050 115.0001 56.3768 32.4174 175.7548 23 V 4.7777 7.1947 117.4796 61.9620 34.8081 173.3150 24 C 4.9431 8.8653 121.4309 58.1509 33.1277 172.9031 25 R 5.2021 8.6177 122.5411 54.2981 31.5356 174.5535 26 I 4.7862 9.3578 128.4013 59.2559 40.6537 173.6459 27 E 5.0260 9.3747 131.0830 54.7111 30.9636 174.2281 28 A 5.2989 9.1382 128.7880 50.2499 22.9933 174.6593 29 A 5.1581 8.8158 122.2469 50.4460 22.7418 175.1705 30 S 4.6905 8.1155 111.6821 57.2449 65.1050 173.7005 31 T 4.4816 7.6198 118.1350 63.0004 70.0866 176.6887 32 T 3.4760 8.8480 121.2406 64.5539 67.4300 172.4604 33 Q 4.4378 7.8586 118.9245 54.6248 30.4274 178.0362 34 D 4.0760 8.5739 119.4168 55.3848 40.4316 177.2002 35 Q 4.1744 9.1138 125.7668 56.6788 26.8567 174.1204 36 C 5.4428 8.1353 121.9756 60.2795 34.7283 172.0189 37 K 4.8742 8.6394 125.4190 55.0466 36.2766 174.7152 38 L 5.1096 9.1382 122.8360 53.8406 45.7893 175.0345 39 T 4.9422 9.3042 123.2432 61.9390 70.6942 172.7811 40 L 5.2808 8.8371 128.3856 53.1825 46.1984 174.6338 41 D 5.6321 8.5805 123.0878 52.8418 43.1079 175.4910 42 I 4.5521 8.8337 124.7930 59.1319 40.3650 174.6377 43 N 4.7292 8.7476 124.5956 53.2087 37.8650 175.3997 44 V 4.0773 8.1644 125.4895 64.1733 32.1201 176.8330 45 E 4.0426 8.3808 119.6589 58.6665 29.6838 177.1120 46 L 4.3102 7.7842 117.0690 55.8507 42.8403 177.0780 47 F 4.7068 7.5647 126.9371 55.3967 39.1256 172.2376 48 P 4.3228 0.0000 0.0000 61.9641 31.7646 176.6582 49 V 4.0294 8.0643 121.4934 60.8542 32.8043 174.8529 50 A 4.3179 8.2540 129.7580 50.9270 19.5742 176.6618 51 A 4.0842 8.2376 122.3945 52.7763 19.6260 177.1986 52 Q 3.4242 7.9435 117.9685 57.6560 27.0608 170.9093 53 D 5.3779 7.3966 119.2841 52.6845 46.0002 176.0911 54 S 5.5657 8.4372 112.7000 57.2579 65.8341 173.4794 55 L 5.0687 8.7390 123.7556 53.0710 45.3530 175.5270 56 T 4.6749 8.3111 119.8674 63.0043 70.0011 173.8048 57 V 4.8462 8.7737 127.2787 61.3562 34.0482 174.4653 58 T 4.4317 8.2850 123.5636 62.3442 71.7222 173.3618 59 I 4.0775 9.0345 126.4673 58.4523 37.1322 178.3062 60 A 3.6781 8.1950 124.5604 53.1943 18.1791 177.3685 61 S 4.7651 7.8392 110.1829 57.8503 63.3285 174.9309 62 S 4.1684 7.9185 114.5963 59.3728 63.6825 173.8737 63 L 3.3231 8.1289 115.1311 56.1554 38.1382 174.9466 *74 S 4.1633 7.9504 121.7318 58.3745 64.6788 176.4431 75 A 3.6708 8.5291 121.0302 52.9773 17.8469 178.5961 76 T 4.4626 8.7928 110.4412 61.2468 71.1355 176.3941 77 R 4.3515 8.3654 128.2130 57.5908 29.2636 178.6261 78 S 3.4942 8.0433 104.0179 58.5287 61.6027 170.6585 79 W 4.2713 8.1660 135.0000 58.0822 30.7765 175.1944 80 R 4.1894 7.8705 124.8073 54.2276 31.0472 173.8472 81 P 3.2784 0.0000 0.0000 59.2532 32.3178 173.0955 82 P 3.9350 0.0000 0.0000 61.7589 31.6835 175.8887 83 Q 3.3318 8.1277 115.9775 57.1698 27.9617 175.2459 84 A 4.4407 8.1906 116.2381 52.8328 18.5662 179.7094 85 G 3.7404 8.0591 105.6439 47.7858 0.0000 174.5496 86 D 4.6556 7.8010 118.3074 54.3354 42.4748 176.4962 87 R 4.4258 7.7102 119.3148 53.9821 31.1088 175.7614 88 S 4.1290 8.6560 120.7625 58.4480 63.2686 174.4300 89 L 4.3604 8.3318 125.3534 54.9834 42.0551 176.1402 90 A 4.7102 7.9974 118.8440 51.7940 19.4473 175.8916 91 D 4.9450 7.9663 116.0040 52.5723 41.8549 175.1267 92 D 4.9424 8.9674 124.0796 54.1240 41.5885 175.4093 93 Y 4.7513 7.7991 115.5356 56.1063 40.3861 176.0062 94 D 4.5792 8.6474 122.2596 57.2169 42.0214 176.1553 95 Y 4.4944 8.0608 120.1181 56.4632 41.7407 173.9401 96 V 5.1878 8.5348 126.0853 61.6937 34.5890 174.3033 97 M 4.9117 8.8182 123.3055 54.1289 36.8096 173.1410 98 Y 4.3783 8.6868 122.5573 56.4160 41.5518 174.9415 99 G 3.7933 7.5661 110.9763 45.7424 0.0000 171.6156 100 T 4.8941 8.1802 114.3613 61.7539 73.2306 173.0382 101 A 4.5480 7.8325 125.8454 50.5331 20.0096 176.5683 102 Y 4.5293 7.8345 119.6272 56.3113 39.3547 175.4363 103 K 3.8898 6.0792 119.7238 55.9892 35.7670 173.2106 104 F 5.1480 8.5759 122.1775 55.5657 41.6912 174.4077 105 E 4.3312 8.8106 125.7044 55.3801 30.9023 176.6966 106 E 4.8634 8.4867 124.8070 55.8495 31.2725 175.6496 107 V 3.6419 8.1420 119.5626 63.9421 32.6205 176.3261 108 S 3.2851 9.1815 123.5275 57.9903 63.1192 170.4427 109 K 3.8140 9.3783 124.9941 56.6472 31.8011 174.4651 110 D 5.0373 9.5902 123.9047 54.4630 41.3915 172.8298 111 L 4.6808 6.9935 115.0624 55.1597 45.7434 175.0269 112 I 4.3006 7.8172 115.3292 60.9654 42.2082 174.1013 113 A 5.6183 8.3299 128.4010 49.1504 22.5847 175.2691 114 V 4.4880 8.0339 113.6232 59.7723 34.9520 174.6767 115 Y 4.7766 7.5140 120.9455 56.5676 40.4531 174.2025 116 Y 5.0704 9.0927 122.5156 56.0801 41.9415 175.4701 117 S 4.7893 9.3431 117.2830 56.6822 65.3077 172.8247 118 F 4.9483 8.7667 128.0567 56.6481 37.8565 176.3084 119 G 4.1521 8.4553 111.9668 43.8453 0.0000 172.1263 120 G 3.9950 6.8143 119.8355 45.8109 0.0000 174.7385 121 L 4.3233 7.8859 122.6122 54.2731 42.9676 176.8353 122 L 5.2914 9.1052 123.5829 53.8478 44.6109 175.4216 123 M 5.2203 9.1697 120.4267 54.2172 35.8027 173.6107 124 R 5.3838 9.1778 127.3181 53.7467 32.5829 174.2383 125 L 5.1094 8.2616 127.6262 53.2419 45.9480 174.5723 126 E 4.8435 8.6390 123.9877 55.2959 32.9871 174.2091 127 G 4.1231 8.1816 114.4192 46.5934 0.0000 172.2581 128 N 4.9687 8.9847 114.6734 53.8848 41.1608 175.3941 129 Y 4.6204 8.0970 115.0403 57.6764 38.3344 175.7096 130 R 4.5650 7.5974 117.0384 56.9273 31.1042 177.7258 131 N 4.3629 8.3212 117.7358 55.6271 38.6192 175.8734 132 L 4.7468 7.7384 114.8874 54.3878 43.2874 176.6458 133 N 4.6072 8.0904 117.0124 54.9548 39.2271 175.1793 134 N 4.9094 7.8263 113.8785 51.4074 40.2955 174.4120 135 L 4.5961 8.1566 122.2736 52.7656 44.8332 177.1314 136 K 4.7095 8.2632 119.8967 56.4773 29.1158 175.8348 137 Q 4.7068 7.4969 120.5563 53.9758 32.6616 174.9436 138 E 3.8119 8.4674 120.2054 58.7903 29.9389 176.6416 139 N 4.2148 8.0072 122.2667 54.3625 38.8623 174.6135 140 A 4.5206 7.8341 123.9928 51.5017 22.6711 174.7983 141 Y 5.1417 8.0859 122.0404 57.6893 41.4260 174.5135 142 L 4.3744 7.8101 116.6883 55.1167 46.4287 174.2789 143 L 5.1165 8.4480 126.4700 52.9129 45.4359 175.7127 144 I 5.7674 8.6905 122.3461 58.9654 41.9180 174.6526 145 R 5.0881 8.3430 121.2226 55.4899 33.5938 175.5339 146 R 4.1310 8.7656 116.9009 57.1761 30.4063 176.1964 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 M 8.30 4.53 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 2 S 7.44 4.14 0.00 3.89 3.75 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 0.00 0.00 0.00 0.00 3 N 9.65 4.70 0.00 2.94 2.97 0.00 0.00 6.93 7.22 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 4 T 8.11 4.32 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 1.23 0.00 0.00 5 L 8.19 4.75 0.00 1.70 1.71 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.71 5.03 0.00 3.06 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 7 D 7.39 4.55 0.00 2.49 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 8 D 8.21 4.46 0.00 2.81 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.93 5.07 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.93 0.00 0.00 10 F 9.11 5.24 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.36 4.92 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 12 V 8.29 4.19 2.22 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 0.96 0.00 0.00 0.98 0.00 0.00 13 S 9.34 4.77 0.00 3.84 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 14 E 8.07 4.49 0.00 2.06 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 2.31 2.32 0.00 15 V 8.56 4.34 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 0.76 0.00 0.00 0.95 0.00 0.00 16 D 9.15 4.70 0.00 2.84 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 17 P 0.00 4.67 0.00 2.15 2.12 0.00 3.84 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 18 G 8.44 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.67 0.00 1.68 1.73 0.00 3.23 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 20 Y 7.49 5.13 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.89 0.00 2.71 2.84 0.00 0.00 6.91 7.61 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 22 K 8.00 4.41 0.00 1.79 1.79 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.43 7.81 23 V 7.19 4.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.82 0.00 0.00 24 C 8.87 4.94 0.00 3.12 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.20 0.00 2.05 1.85 0.00 3.15 0.00 0.00 3.24 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 26 I 9.36 4.79 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 1.12 1.17 0.95 0.00 0.00 27 E 9.37 5.03 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 28 A 9.14 5.30 1.28 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 29 A 8.82 5.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.12 4.69 0.00 3.54 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 31 T 7.62 4.48 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 32 T 8.85 3.48 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 33 Q 7.86 4.44 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.95 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 34 D 8.57 4.08 0.00 2.74 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 0.00 0.00 0.00 35 Q 9.11 4.17 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 36 C 8.14 5.44 0.00 3.06 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 37 K 8.64 4.87 0.00 1.88 1.91 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.41 7.81 38 L 9.14 5.11 0.00 1.57 1.47 0.83 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.30 4.94 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 1.30 0.00 0.00 40 L 8.84 5.28 0.00 1.64 1.37 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.58 5.63 0.00 2.78 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 42 I 8.83 4.55 1.92 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.01 1.17 0.00 0.00 43 N 8.75 4.73 0.00 2.78 2.78 0.00 0.00 6.71 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.16 4.08 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 0.94 0.00 0.00 0.97 0.00 0.00 45 E 8.38 4.04 0.00 1.97 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 2.29 2.34 0.00 46 L 7.78 4.31 0.00 1.55 1.60 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.56 4.71 0.00 3.07 3.24 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 48 P 0.00 4.32 0.00 1.91 1.88 0.00 3.29 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 1.91 1.99 0.00 49 V 8.06 4.03 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 0.86 0.00 0.00 1.12 0.00 0.00 50 A 8.25 4.32 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 51 A 8.24 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 52 Q 7.94 3.42 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 53 D 7.40 5.38 0.00 2.71 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 54 S 8.44 5.57 0.00 3.87 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 55 L 8.74 5.07 0.00 1.66 1.63 0.94 0.94 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 56 T 8.31 4.67 4.43 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 1.35 0.00 0.00 57 V 8.77 4.85 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 0.95 0.00 0.00 0.78 0.00 0.00 58 T 8.28 4.43 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 1.10 0.00 0.00 59 I 9.03 4.08 2.00 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 1.53 0.93 0.88 0.00 0.00 60 A 8.20 3.68 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 61 S 7.84 4.77 0.00 4.16 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 62 S 7.92 4.17 0.00 3.95 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 63 L 8.13 3.32 0.00 1.70 1.69 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 *74 S 7.95 4.16 0.00 3.87 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 75 A 8.53 3.67 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.79 4.46 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 1.25 0.00 0.00 77 R 8.37 4.35 0.00 1.81 1.90 0.00 3.34 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 78 S 8.04 3.49 0.00 4.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.17 4.27 0.00 3.17 3.23 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 80 R 7.87 4.19 0.00 1.58 1.59 0.00 3.21 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 81 P 0.00 3.28 0.00 1.83 1.78 0.00 3.43 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 82 P 0.00 3.94 0.00 2.05 2.04 0.00 3.76 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 83 Q 8.13 3.33 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 84 A 8.19 4.44 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.06 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.80 4.66 0.00 2.59 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 87 R 7.71 4.43 0.00 1.74 1.81 0.00 3.22 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 88 S 8.66 4.13 0.00 4.02 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 89 L 8.33 4.36 0.00 1.95 1.80 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.00 4.71 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 91 D 7.97 4.95 0.00 2.90 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 92 D 8.97 4.94 0.00 2.43 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 93 Y 7.80 4.75 0.00 2.87 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 94 D 8.65 4.58 0.00 2.26 2.81 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 95 Y 8.06 4.49 0.00 2.30 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 0.00 0.00 0.00 0.00 96 V 8.53 5.19 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 1.04 0.00 0.00 0.99 0.00 0.00 97 M 8.82 4.91 0.00 1.60 1.20 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.53 0.00 98 Y 8.69 4.38 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.57 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 0.00 0.00 0.00 100 T 8.18 4.89 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 1.19 0.00 0.00 101 A 7.83 4.55 0.38 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 0.00 102 Y 7.83 4.53 0.00 2.81 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 0.00 103 K 6.08 3.89 0.00 1.59 1.28 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.29 7.81 104 F 8.58 5.15 0.00 2.86 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 0.00 105 E 8.81 4.33 0.00 2.40 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 0.00 2.36 2.38 0.00 106 E 8.49 4.86 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 107 V 8.14 3.64 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 0.82 0.00 0.00 0.95 0.00 0.00 108 S 9.18 3.29 0.00 4.14 3.36 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 0.00 109 K 9.38 3.81 0.00 1.94 2.09 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.66 7.81 110 D 9.59 5.04 0.00 2.83 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 0.00 111 L 6.99 4.68 0.00 1.50 1.53 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.82 4.30 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.37 0.86 0.00 0.00 113 A 8.33 5.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.03 4.49 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 0.91 0.00 0.00 0.96 0.00 0.00 115 Y 7.51 4.78 0.00 2.26 1.43 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 0.00 116 Y 9.09 5.07 0.00 2.86 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.34 4.79 0.00 3.56 3.51 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 0.00 118 F 8.77 4.95 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.46 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 0.00 120 G 6.81 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 0.00 121 L 7.89 4.32 0.00 1.81 1.78 0.99 0.45 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 0.00 122 L 9.11 5.29 0.00 1.73 1.75 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.17 5.22 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 124 R 9.18 5.38 0.00 1.93 1.74 0.00 3.30 0.00 0.00 3.20 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.00 125 L 8.26 5.11 0.00 1.67 1.33 0.98 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.64 4.84 0.00 2.01 1.88 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 2.19 2.22 0.00 127 G 8.18 4.12 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 0.00 0.00 0.00 128 N 8.98 4.97 0.00 2.65 2.85 0.00 0.00 6.86 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 0.00 129 Y 8.10 4.62 0.00 3.13 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 0.00 130 R 7.60 4.57 0.00 1.63 1.72 0.00 2.78 0.00 0.00 2.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.96 0.00 131 N 8.32 4.36 0.00 2.69 2.85 0.00 0.00 6.89 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 0.00 132 L 7.74 4.75 0.00 1.58 1.61 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.09 4.61 0.00 2.69 3.05 0.00 0.00 6.78 7.72 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 0.00 134 N 7.83 4.91 0.00 2.51 2.76 0.00 0.00 6.77 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 0.00 135 L 8.16 4.60 0.00 1.64 1.58 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.26 4.71 0.00 1.82 1.93 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.44 7.81 137 Q 7.50 4.71 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 138 E 8.47 3.81 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 139 N 8.01 4.21 0.00 2.78 3.00 0.00 0.00 6.63 7.35 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 0.00 140 A 7.83 4.52 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 0.00 141 Y 8.09 5.14 0.00 3.03 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 0.00 142 L 7.81 4.37 0.00 1.73 1.43 0.65 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.45 5.12 0.00 0.74 0.13 0.86 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.69 5.77 1.47 0.00 0.00 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 0.62 1.12 0.76 0.00 0.00 145 R 8.34 5.09 0.00 1.92 2.01 0.00 2.97 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 146 R 8.77 4.13 0.00 1.98 1.96 0.00 3.26 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.