NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 V 4.2235 8.0549 119.8243 60.9299 33.4541 175.0701 18 Q 4.0309 8.7895 124.9334 54.9057 30.0224 173.9800 19 K 5.0533 9.4327 122.8639 54.7767 35.6591 175.0302 20 L 4.7616 9.1100 126.2564 53.1192 43.5760 176.2315 21 S 5.0982 8.8502 119.2278 58.1287 63.0359 174.1014 22 S 4.2672 8.4635 119.6444 59.9856 62.9631 175.4075 23 L 4.1527 8.0577 123.2506 57.7711 42.0838 177.0719 24 V 4.5882 7.4748 109.4066 58.7475 35.0760 175.2191 25 L 3.0019 8.3216 124.8366 54.0285 42.5329 175.2784 26 P 4.1624 0.0000 0.0000 62.0593 31.9107 177.3033 27 A 3.9658 8.4307 124.3086 55.4502 18.6222 178.8490 28 E 4.2212 8.0698 114.4121 58.5581 30.3376 177.3192 29 V 5.0573 7.5951 111.6458 59.3998 35.9778 174.4026 30 I 4.6844 8.7740 115.3372 59.3396 41.6346 173.7767 31 I 5.1184 8.2355 122.2135 59.8524 39.1118 175.2464 32 A 4.5750 8.7834 127.5999 50.6405 23.0132 173.9841 33 Q 4.4990 8.5109 118.3975 56.1710 29.5540 176.7720 34 S 4.7586 9.2561 123.0820 58.5044 62.7134 174.4780 35 S 4.3576 9.8865 123.9066 60.2385 61.5710 174.4678 *36 I 4.4243 7.6150 120.9508 58.2763 36.9624 180.1149 37 P 4.0595 0.0000 0.0000 64.8926 31.6701 177.8388 38 G 3.6842 8.0752 105.7162 48.4572 0.0000 173.7950 39 E 4.2827 7.3531 119.1664 55.1818 30.0424 176.7426 40 G 3.8223 8.1816 110.6838 48.5794 0.0000 173.6385 41 L 5.1000 7.8741 121.7321 53.6673 43.7258 175.3664 42 G 4.6613 9.3232 107.0337 46.6010 0.0000 171.5647 43 I 5.2006 8.3994 120.4830 59.8083 39.2878 175.0690 44 F 5.2480 9.3188 125.7874 55.1356 42.3974 175.1229 45 S 4.5394 9.3306 118.1631 58.8324 63.4074 174.5664 46 K 4.4181 9.3305 123.2287 56.8843 34.3424 175.0909 47 T 4.8331 7.5676 107.8753 58.8675 72.1867 173.6098 48 W 4.2852 8.9530 121.1932 57.1168 29.8464 176.0854 49 I 4.5481 9.0917 128.3006 59.9146 38.8653 176.2608 50 K 4.6056 8.8066 130.5907 54.5855 33.0883 172.8756 51 A 4.2846 8.0405 124.4611 53.3998 18.6603 178.4925 52 G 4.0126 9.0614 111.2228 45.2192 0.0000 174.1254 53 T 4.2122 7.6762 117.0202 64.2099 69.6277 172.9041 54 E 5.3320 9.2658 125.4538 54.8935 32.7135 174.8942 55 M 5.3652 10.6600 123.3945 52.6818 35.6236 176.4399 56 G 2.9720 8.0400 110.1672 44.4782 0.0000 169.6472 57 P 3.2122 0.0000 0.0000 62.1499 32.1262 176.1621 58 F 3.9307 8.6329 125.9588 58.5738 39.5545 174.5596 59 T 4.5044 7.3666 122.3738 61.9525 71.3602 174.3336 60 G 3.7907 7.8015 112.1445 46.3227 0.0000 173.0892 61 R 4.2727 8.0131 120.0920 56.2586 30.8238 172.0019 62 V 4.3503 8.2955 123.8816 61.9825 32.3487 175.0341 63 I 4.6142 9.0544 129.3028 59.0333 39.5780 175.2473 64 A 4.4184 8.7866 129.2749 51.3784 19.2152 175.4292 65 P 4.4725 0.0000 0.0000 62.2425 31.3964 175.6706 *76 L 3.9547 8.2570 125.4742 54.9395 43.4017 174.9507 77 M 5.2932 7.9460 125.1572 53.6173 35.3719 174.0714 78 W 5.2240 8.9689 124.9240 54.5423 33.1711 174.7346 79 E 3.5698 9.2057 123.6371 56.4364 29.6739 176.3051 80 V 3.9995 8.3954 124.8630 61.3192 33.0753 174.6859 81 F 5.0744 9.0145 127.1235 56.0041 40.7604 175.8461 82 N 4.6250 9.2964 119.7694 52.5681 39.2399 175.9595 83 E 3.9031 8.8049 120.6529 59.5523 29.5492 177.3561 84 D 4.5189 8.0486 114.9620 53.3342 39.6450 177.0581 85 G 3.8217 8.0683 108.5021 45.7862 0.0000 174.1505 86 T 4.3083 7.7194 109.8597 60.5920 69.9427 174.0045 87 V 3.6430 8.0257 122.5074 62.5669 32.1707 175.5443 88 R 4.2614 8.4832 128.9734 58.7106 30.8472 175.0995 89 Y 4.7080 6.5261 114.0908 56.7236 41.3598 172.2521 90 F 5.2683 9.4258 117.8745 55.8607 42.4021 174.9025 91 I 4.9046 8.9213 123.5997 59.8359 39.5615 173.6624 92 D 5.4205 9.5408 130.4130 52.8954 43.0138 174.0036 93 A 4.7756 9.0508 131.8127 50.7053 22.1194 175.2584 *100 S 4.1503 8.5167 107.3706 57.7227 63.5748 175.7270 101 W 4.6702 8.8194 122.3656 60.2696 27.4608 178.3106 102 M 3.5694 7.2122 119.6115 57.9167 31.0067 178.0712 103 T 4.2814 7.5507 108.3001 63.6803 69.1898 175.0946 104 Y 4.4824 8.3109 119.5394 58.1154 38.1260 174.7207 105 I 4.3828 7.4942 121.9624 61.1269 37.7618 176.4635 106 K 4.4762 8.7471 126.6674 55.8696 34.0885 175.6487 107 C 5.1032 8.5017 119.1817 59.0547 29.1004 173.8065 108 A 4.1806 8.5734 126.2524 52.1741 17.8298 178.2439 109 R 3.7609 9.4504 122.8771 58.4023 30.5376 175.9740 110 N 4.4762 7.1867 113.4982 51.5858 39.6603 174.8441 111 E 4.0160 8.5866 118.9678 59.0673 29.9991 177.8245 112 Q 4.1358 8.2729 117.4451 58.3707 28.8152 176.9190 113 E 4.3132 7.7174 112.6498 56.4425 30.5467 176.2675 114 Q 4.2256 7.6447 122.3905 56.5669 29.5274 175.1646 115 N 5.1108 9.2132 119.7981 52.0317 39.7718 173.5614 116 L 5.3772 7.9158 119.9879 52.8925 45.5630 174.9262 117 E 4.9992 9.0911 120.8605 54.1236 32.5768 175.3888 118 V 3.6145 8.0170 123.4754 63.0475 32.0939 175.6121 119 V 4.5480 9.0482 121.0953 59.5340 35.5371 174.1268 120 Q 5.1041 8.7272 124.9914 54.4797 31.0031 174.6427 121 I 4.3978 9.1846 127.8120 60.1177 40.2412 177.1655 122 G 3.9573 8.8372 117.5117 47.1149 0.0000 173.5978 123 T 4.5475 9.1382 109.9815 61.0651 69.4220 173.7442 124 S 4.8189 8.4984 118.8769 57.6575 64.7948 172.8341 125 I 4.9491 8.1231 123.9923 59.9238 39.0891 174.7444 126 F 5.0398 9.5215 125.3102 55.8621 43.0989 173.6250 127 Y 5.3388 8.9589 118.6638 56.4831 40.6057 174.8550 128 K 5.1194 8.9793 123.6092 54.3329 35.9398 174.9705 129 A 4.6085 9.1537 130.0926 52.2631 18.7102 177.9430 130 I 3.7957 8.5696 125.0042 64.2678 37.4258 175.7645 131 E 4.8883 8.0100 119.8852 54.9455 33.6398 174.8358 132 M 4.7517 8.8148 119.3843 55.6971 32.3111 172.0594 133 I 4.4752 9.2917 125.1591 58.0810 39.6038 174.0284 134 P 2.9700 0.0000 0.0000 60.6771 32.0450 174.5679 135 P 4.1985 0.0000 0.0000 63.0463 32.1699 175.7324 136 D 4.5874 8.5222 119.6057 55.8406 39.0902 173.7343 137 Q 4.8011 8.0638 117.2017 53.7579 32.0972 175.1703 138 E 3.4129 8.3807 123.9711 55.8510 31.0802 175.3252 139 L 4.4895 8.8427 128.1024 53.9880 42.7342 176.2030 140 L 5.1050 9.3205 124.5540 52.7889 45.2407 176.0779 141 V 4.7095 8.3711 123.2448 60.1799 34.4728 174.7919 142 W 5.1132 8.1906 130.8926 56.7803 34.5812 172.6910 143 Y 4.1225 7.0497 117.9358 58.4584 37.8583 177.3687 144 G 3.8752 8.4545 113.4880 45.2211 0.0000 174.2245 145 N 4.4681 8.5719 115.4275 52.7163 37.4430 169.9276 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 17 V 8.05 4.22 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 0.92 0.00 0.00 0.93 0.00 0.00 18 Q 8.79 4.03 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 19 K 9.43 5.05 0.00 1.65 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.40 7.81 20 L 9.11 4.76 0.00 1.87 1.78 1.02 0.65 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 21 S 8.85 5.10 0.00 3.99 3.87 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 0.00 0.00 0.00 22 S 8.46 4.27 0.00 3.61 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 23 L 8.06 4.15 0.00 1.91 1.81 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.47 4.59 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 0.81 0.00 0.00 0.93 0.00 0.00 25 L 8.32 3.00 0.00 1.44 1.42 0.69 0.82 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 26 P 0.00 4.16 0.00 1.86 1.81 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.65 0.00 27 A 8.43 3.97 1.24 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 0.00 0.00 28 E 8.07 4.22 0.00 1.93 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 0.00 2.42 2.42 0.00 29 V 7.60 5.06 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 0.69 0.00 0.00 0.54 0.00 0.00 30 I 8.77 4.68 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.43 0.87 0.00 0.00 31 I 8.24 5.12 1.76 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.94 0.00 0.00 32 A 8.78 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.51 4.50 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 34 S 9.26 4.76 0.00 4.11 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 0.00 35 S 9.89 4.36 0.00 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 I 7.62 4.42 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 1.30 0.79 0.91 0.00 0.00 37 P 0.00 4.06 0.00 2.04 2.12 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 38 G 8.08 3.68 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 39 E 7.35 4.28 0.00 2.03 1.92 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 2.34 2.30 0.00 40 G 8.18 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 0.00 0.00 0.00 41 L 7.87 5.10 0.00 1.86 1.86 1.12 0.87 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 42 G 9.32 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.40 5.20 2.07 0.00 0.00 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 1.65 1.64 1.13 0.00 0.00 44 F 9.32 5.25 0.00 2.86 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 45 S 9.33 4.54 0.00 3.98 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 46 K 9.33 4.42 0.00 1.67 1.86 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.37 7.81 47 T 7.57 4.83 4.33 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 1.23 0.00 0.00 48 W 8.95 4.29 0.00 3.23 3.29 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 49 I 9.09 4.55 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 1.00 0.00 0.00 50 K 8.81 4.61 0.00 1.45 1.69 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.02 7.81 51 A 8.04 4.28 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 52 G 9.06 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 53 T 7.68 4.21 4.33 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 1.37 0.00 0.00 54 E 9.27 5.33 0.00 1.93 1.92 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 2.25 2.48 0.00 55 M 10.66 5.37 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.72 0.00 56 G 8.04 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 0.00 0.00 0.00 57 P 0.00 3.21 0.00 1.84 1.68 0.00 3.70 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 1.84 1.91 0.00 58 F 8.63 3.93 0.00 2.54 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 59 T 7.37 4.50 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 60 G 7.80 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 61 R 8.01 4.27 0.00 1.50 1.81 0.00 3.27 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 62 V 8.30 4.35 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 0.31 0.00 0.00 0.59 0.00 0.00 63 I 9.05 4.61 2.01 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 1.17 0.67 0.93 0.00 0.00 64 A 8.79 4.42 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 65 P 0.00 4.47 0.00 2.28 2.17 0.00 3.89 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 2.04 2.10 0.00 *76 L 8.26 3.95 0.00 1.85 1.79 0.79 1.05 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 77 M 7.95 5.29 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 78 W 8.97 5.22 0.00 3.30 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 79 E 9.21 3.57 0.00 1.16 1.12 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 1.82 1.54 0.00 80 V 8.40 4.00 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 0.60 0.00 0.00 0.89 0.00 0.00 81 F 9.01 5.07 0.00 3.01 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 82 N 9.30 4.62 0.00 2.97 2.78 0.00 0.00 6.72 7.57 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 83 E 8.80 3.90 0.00 1.92 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 2.28 2.31 0.00 84 D 8.05 4.52 0.00 2.80 2.75 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 85 G 8.07 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 0.00 0.00 0.00 86 T 7.72 4.31 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 1.27 0.00 0.00 87 V 8.03 3.64 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 0.02 0.00 0.00 0.61 0.00 0.00 88 R 8.48 4.26 0.00 1.84 1.76 0.00 3.18 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 89 Y 6.53 4.71 0.00 3.28 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 90 F 9.43 5.27 0.00 2.97 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 91 I 8.92 4.90 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 1.34 0.00 0.00 92 D 9.54 5.42 0.00 2.80 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 A 9.05 4.78 1.06 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 0.00 0.00 0.00 *100 S 8.52 4.15 0.00 3.59 3.40 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 0.00 101 W 8.82 4.67 0.00 3.65 3.34 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 0.00 102 M 7.21 3.57 0.00 1.69 1.62 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.87 0.00 103 T 7.55 4.28 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 1.08 0.00 0.00 104 Y 8.31 4.48 0.00 3.38 3.21 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 0.00 105 I 7.49 4.38 2.33 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 1.10 0.00 0.00 106 K 8.75 4.48 0.00 1.70 1.76 0.00 1.72 0.00 0.00 2.02 0.00 0.00 3.30 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.47 7.81 107 C 8.50 5.10 0.00 2.90 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 0.00 108 A 8.57 4.18 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 0.00 109 R 9.45 3.76 0.00 1.76 1.88 0.00 3.15 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 110 N 7.19 4.48 0.00 2.80 2.75 0.00 0.00 5.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.59 4.02 0.00 1.99 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 2.38 0.00 112 Q 8.27 4.14 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 113 E 7.72 4.31 0.00 2.05 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 2.42 2.17 0.00 114 Q 7.64 4.23 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 115 N 9.21 5.11 0.00 2.83 2.95 0.00 0.00 6.41 6.22 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 0.00 116 L 7.92 5.38 0.00 1.41 1.45 1.08 0.90 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 0.00 117 E 9.09 5.00 0.00 1.87 1.98 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 2.25 2.18 0.00 118 V 8.02 3.61 1.51 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 0.39 0.00 0.00 -1.01 0.00 0.00 119 V 9.05 4.55 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 0.62 0.00 0.00 0.99 0.00 0.00 120 Q 8.73 5.10 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 121 I 9.18 4.40 1.89 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.42 0.82 0.00 0.00 122 G 8.84 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 9.14 4.55 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 1.25 0.00 0.00 124 S 8.50 4.82 0.00 4.30 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 0.00 125 I 8.12 4.95 1.96 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 1.44 1.06 0.67 0.00 0.00 126 F 9.52 5.04 0.00 2.86 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 0.00 127 Y 8.96 5.34 0.00 2.78 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 0.00 128 K 8.98 5.12 0.00 1.82 1.62 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.64 7.81 129 A 9.15 4.61 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 0.00 130 I 8.57 3.80 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 1.29 0.58 0.93 0.00 0.00 131 E 8.01 4.89 0.00 2.14 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 2.24 1.85 0.00 132 M 8.81 4.75 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.15 0.00 133 I 9.29 4.48 1.89 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 0.69 0.84 0.00 0.00 134 P 0.00 2.97 0.00 1.48 1.12 0.00 3.49 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 135 P 0.00 4.20 0.00 1.78 2.01 0.00 3.13 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 136 D 8.52 4.59 0.00 2.81 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 0.00 137 Q 8.06 4.80 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 138 E 8.38 3.41 0.00 1.16 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 2.04 1.74 0.00 139 L 8.84 4.49 0.00 1.66 1.68 0.94 1.06 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 0.00 140 L 9.32 5.11 0.00 1.63 1.57 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.37 4.71 1.52 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 0.71 0.00 0.00 -0.43 0.00 0.00 142 W 8.19 5.11 0.00 3.35 3.29 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 0.00 143 Y 7.05 4.12 0.00 2.36 2.59 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 0.00 0.00 0.00 0.00 144 G 8.45 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 0.00 0.00 0.00 145 N 8.57 4.47 0.00 2.83 2.76 0.00 0.00 6.41 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 * Residues marked with a * may have inaccurate shift predictions.