NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6142 8.3649 120.3428 52.6110 41.4656 175.9144 6 F 4.2709 8.3020 118.8414 56.4712 40.3427 171.0377 7 E 3.9594 9.1532 121.8892 59.5379 30.3856 175.9124 8 E 3.7742 7.9994 121.7165 56.3274 27.0738 172.8285 9 K 4.4642 8.7757 124.4087 54.5624 34.1542 175.2098 10 M 4.8595 8.2722 121.8520 53.8802 34.5781 174.5734 11 I 4.1975 7.8629 120.6027 61.3335 40.5650 176.0178 12 L 3.2573 7.9545 117.8854 53.9617 41.6839 175.2142 13 I 4.7493 8.0571 128.9870 61.1704 40.0068 173.5224 14 R 4.7105 8.8232 124.9370 54.2189 33.1090 174.8829 15 R 4.5877 8.4114 118.3698 54.8424 31.8152 174.4095 16 T 4.4647 8.0149 117.1759 60.0750 69.5623 174.0297 17 A 4.4902 8.5011 128.9886 50.6538 20.3677 176.3660 18 R 4.5297 8.5230 118.2966 54.8157 32.8912 174.8614 19 M 4.8145 8.2928 118.7839 53.5635 34.1636 175.7505 20 Q 4.3803 9.0621 123.5064 54.5308 32.5126 173.2621 21 A 3.8663 8.2076 126.3258 52.8625 18.8829 177.5818 22 G 3.9294 8.3220 111.7971 44.9636 0.0000 174.1543 23 G 3.6539 6.3775 106.9369 44.4627 0.0000 172.1236 24 R 4.8685 7.9762 117.4608 54.2966 32.5686 175.8032 25 R 4.4653 8.2326 119.7723 53.0960 33.1420 176.1652 26 F 4.7202 8.8674 127.1109 56.0595 40.5030 178.1643 27 R 5.2575 7.9141 129.3656 55.3139 31.0132 171.9433 28 F 5.0937 8.8941 119.1306 55.6177 43.3376 174.5120 29 G 4.5346 9.0311 109.4695 44.6854 0.0000 172.3474 30 A 5.2032 7.8231 122.9485 50.4249 23.0687 174.7752 31 L 5.2550 9.0487 125.4924 53.5152 44.2585 175.5125 32 V 4.6844 9.8735 126.0897 61.1000 35.6994 174.1189 33 V 4.9744 8.7541 123.0608 61.1302 35.0102 174.0775 34 V 4.5879 8.7813 127.5987 61.4853 34.5294 174.8409 35 G 4.7093 8.1945 112.4571 45.9922 0.0000 172.1970 36 D 4.8232 8.7133 114.7500 52.2784 41.9239 176.0914 37 R 4.2570 8.6580 117.8634 56.9853 27.6266 176.6030 38 Q 4.4934 9.6840 116.4119 55.4007 30.5125 175.0811 39 G 3.3822 6.6788 107.9721 44.8004 0.0000 173.4982 40 R 5.0955 7.9586 119.8413 53.2821 34.2016 174.6389 41 V 4.9209 8.3783 115.5640 59.7351 36.8943 174.7136 42 G 4.5569 9.2319 110.5258 44.3390 0.0000 171.4972 43 L 4.8491 8.5574 128.3304 54.5603 43.7553 175.8738 44 G 4.0880 9.7627 113.5575 45.1547 0.0000 171.1715 45 F 5.4745 9.2467 129.0910 56.8851 40.8245 174.8147 46 G 4.3018 9.1848 114.6061 44.3501 0.0000 171.8247 47 K 5.7663 9.3019 121.9467 53.0211 35.7927 175.1539 48 A 4.5099 8.3027 125.1091 51.4301 20.9617 175.8116 49 P 4.3369 0.0000 0.0000 65.1271 31.8593 177.2415 50 E 4.4187 7.7296 116.0677 53.1895 34.0641 176.2445 51 V 3.2736 7.2636 122.2988 65.5430 31.5704 176.2200 52 P 4.1311 0.0000 0.0000 65.8119 30.9775 178.3434 53 L 3.8927 7.8146 116.4548 57.7680 41.5718 179.0953 54 A 4.0049 7.7874 120.5200 55.4677 18.2607 179.9488 55 V 3.5232 8.3716 116.8341 65.8952 31.4938 178.1248 56 Q 3.8749 8.2968 119.7592 59.1410 29.0022 178.0784 57 K 3.7974 9.5475 120.5091 59.2005 32.1963 178.5344 58 A 4.2483 8.3288 121.3821 55.3557 18.1809 179.5810 59 G 3.7571 8.1402 103.1460 48.6855 0.0000 174.3554 60 Y 4.1670 8.2316 121.6492 61.1208 38.6749 177.8619 61 Y 4.0366 7.7153 117.0519 60.8487 38.0974 178.4389 62 A 4.1880 7.9579 122.9827 55.1170 18.1864 179.9663 63 R 3.6990 7.3014 113.6862 58.9633 30.1393 178.7371 64 R 4.2339 7.4135 115.1306 55.7348 31.2656 176.5864 65 N 4.6393 7.6970 112.6562 53.5254 41.5837 173.7250 66 M 5.4972 7.8158 124.4975 54.8268 33.9144 175.5640 67 V 4.3938 7.5710 119.0348 61.9920 33.7180 171.8934 68 E 4.3542 8.8857 121.5438 56.8148 31.0764 176.7921 69 V 4.1082 8.0200 119.6481 61.0548 33.6218 173.0821 70 P 4.4336 0.0000 0.0000 63.4502 30.7664 176.3696 71 L 3.7469 8.1160 118.7233 54.9149 41.3879 177.9073 72 Q 4.3984 8.1919 123.1625 54.2273 29.2096 172.7086 73 N 3.9553 8.4567 121.4330 54.3433 36.3547 175.0788 74 G 4.1276 7.9387 105.9763 46.1896 0.0000 171.7639 75 T 4.6295 7.2387 110.0906 61.5819 65.4683 176.7735 76 I 4.4201 8.1062 115.8764 58.9205 40.4212 172.6024 77 P 4.3806 0.0000 0.0000 65.1002 31.2608 175.4967 78 H 4.3867 6.7695 112.5429 55.0564 31.1751 173.1349 79 E 4.8763 8.6276 118.0602 56.2618 31.1157 175.2681 80 I 4.6469 8.7570 113.6082 60.2344 41.9167 173.6072 81 E 5.6296 8.4919 121.2616 54.9216 32.6177 174.9584 82 V 4.2885 8.5469 125.0639 61.1810 34.0944 174.4998 83 E 4.7744 8.8077 128.1056 54.9161 29.2370 176.0957 84 F 4.3250 8.4555 129.8852 56.7365 37.0905 173.9276 85 G 3.8820 7.6083 116.8397 44.2425 0.0000 171.9278 86 A 4.6045 7.5115 118.5414 51.8430 22.8029 175.6187 87 S 4.8331 8.0698 111.6057 58.0099 64.7141 173.8944 88 K 5.1515 8.5368 124.8551 54.9084 36.0316 174.1544 89 I 4.5980 7.7670 118.7503 60.2398 41.7388 173.2357 90 V 4.8330 8.4271 122.2891 59.8025 34.9404 175.3236 91 L 4.9264 9.1591 123.4503 53.5850 45.0419 175.5570 92 K 4.9793 9.2485 124.1669 53.7972 35.5608 174.3778 93 P 5.0831 0.0000 0.0000 62.2756 33.0706 174.5024 94 A 4.8341 8.0148 119.8612 50.1966 22.9323 175.6845 95 A 4.2819 8.7305 122.1096 51.0022 19.7026 175.2185 96 P 5.1638 0.0000 0.0000 63.4947 32.3557 176.7628 97 G 4.0057 8.5669 110.5741 45.9357 0.0000 175.1787 98 T 3.8250 7.5652 115.8858 67.1397 68.8330 174.4155 99 G 4.0029 7.3857 105.7530 44.3615 0.0000 173.4653 100 V 4.4354 7.8526 121.1411 61.4516 29.3607 175.3980 101 I 4.1319 8.1484 115.0172 60.4989 37.6729 175.7543 102 A 4.9444 7.4657 129.8310 50.7045 22.6490 175.1977 103 G 3.7926 8.6304 106.5688 44.7094 0.0000 174.8793 104 A 3.5476 8.6143 124.0925 54.8895 18.1305 179.6131 105 V 3.9446 7.5010 115.0853 64.6198 31.8211 175.7513 106 P 4.2337 0.0000 0.0000 66.3171 30.8614 177.7265 107 R 3.9566 9.1588 118.8963 59.2498 29.7680 178.0943 108 A 3.9665 7.5833 120.5573 55.7368 18.5352 177.9350 109 I 4.0031 7.5672 117.7974 61.9815 37.4131 177.7788 110 L 3.8383 9.0114 122.5777 58.2256 41.8487 179.7716 111 E 3.9781 8.4564 118.8944 59.3856 29.4965 178.9687 112 L 4.0265 8.0016 118.1487 58.0186 41.3331 179.3653 113 A 4.0712 8.2584 120.9029 53.8516 17.9242 178.8871 114 G 4.0721 8.3409 105.2833 45.5008 0.0000 173.9192 115 V 4.0717 7.7751 118.9738 62.6800 30.7604 176.1035 116 T 4.4725 10.3103 119.2855 63.3838 71.3015 172.8130 117 D 5.1322 7.9079 119.9182 52.5124 43.0802 174.5433 118 I 4.8798 8.6410 122.9789 59.2748 42.4310 173.2415 119 L 5.2050 8.9814 127.7891 53.2088 44.5393 175.7691 120 T 5.1801 8.3109 111.4547 60.4450 73.3486 172.7265 121 K 4.6185 8.3487 121.5702 55.6817 36.1938 174.5345 122 E 4.5666 8.9471 127.8551 55.6860 29.0932 176.0550 123 L 4.3941 8.3417 124.7372 52.9203 44.2844 179.6949 124 G 3.7492 8.6808 110.6318 47.1674 0.0000 176.9196 125 S 4.5323 8.5794 120.0066 57.6773 62.9520 173.0037 126 R 4.6800 7.9025 120.0503 54.6469 30.8365 176.2135 127 N 4.4448 8.1878 117.2004 53.2039 39.9387 171.4661 128 P 4.4451 0.0000 0.0000 66.9882 31.6335 177.7566 129 I 3.3659 7.9339 115.9913 65.3004 36.9830 177.4724 130 N 4.0490 7.9337 116.1944 56.7990 38.6777 177.2628 131 I 3.6368 8.8142 121.5628 64.9454 37.2597 177.5120 132 A 3.9079 8.3333 121.0454 55.8868 18.0366 178.8523 133 Y 3.7585 8.3200 112.5157 61.1997 38.0140 179.4910 134 A 4.0906 7.9196 121.3015 55.2167 18.4144 179.8734 135 T 3.7658 8.1829 114.6537 67.1395 68.5331 176.5402 136 M 3.9249 8.4892 120.8485 58.6042 31.7696 178.4442 137 E 3.8753 8.0670 117.7339 59.4669 30.0368 178.1524 138 A 4.0677 8.2259 120.9346 55.2994 18.2508 179.1572 139 L 3.8904 8.3105 116.5410 58.1612 41.7878 180.0029 140 R 3.9716 8.0454 116.3414 58.7423 29.9667 177.5399 141 Q 4.2922 8.0897 116.8223 57.2432 29.5488 176.0294 142 L 4.1733 6.5930 118.7849 55.4085 42.5216 176.4923 143 R 4.6791 7.9144 117.1317 54.4348 34.2009 175.1764 144 T 4.6947 8.0247 109.9742 60.2557 72.8106 174.9003 145 K 3.9905 8.8597 118.5159 60.2996 32.1674 179.4937 146 A 3.3834 7.5834 115.4787 54.2444 19.3630 178.7097 147 D 4.3209 8.1718 116.4330 55.8338 39.8732 179.2087 148 V 3.6454 7.6679 118.5446 65.2703 31.6797 177.7815 149 E 4.0852 8.5167 119.2450 59.7018 29.1622 178.3312 150 R 3.8041 7.5397 116.6281 59.8983 30.0727 177.8096 151 L 4.1220 7.4989 118.8020 56.7505 42.9127 178.3892 152 R 4.5049 7.6306 118.5666 54.3861 29.0813 176.1566 153 K 4.2852 8.1262 121.1484 56.0262 35.3003 173.7555 154 G 3.4066 8.9835 114.3328 46.0913 0.0000 173.4740 *155 E 4.1319 8.3885 121.8034 56.0973 30.4399 172.0068 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 D 8.36 4.61 0.00 2.73 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 6 F 8.30 4.27 0.00 3.02 3.43 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 7 E 9.15 3.96 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 8 E 8.00 3.77 0.00 2.17 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 2.20 2.29 0.00 9 K 8.78 4.46 0.00 1.87 1.65 0.00 1.53 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.42 7.81 10 M 8.27 4.86 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 11 I 7.86 4.20 1.91 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 1.22 0.97 0.96 0.00 0.00 12 L 7.95 3.26 0.00 1.79 2.00 1.05 0.96 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 13 I 8.06 4.75 1.94 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 1.47 0.62 1.07 0.00 0.00 14 R 8.82 4.71 0.00 1.93 2.12 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 15 R 8.41 4.59 0.00 1.59 1.75 0.00 2.49 0.00 0.00 3.02 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.60 0.00 16 T 8.01 4.46 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 1.26 0.00 0.00 17 A 8.50 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.52 4.53 0.00 1.84 2.01 0.00 2.71 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 19 M 8.29 4.81 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 20 Q 9.06 4.38 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 21 A 8.21 3.87 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 22 G 8.32 3.93 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 0.00 0.00 0.00 23 G 6.38 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 24 R 7.98 4.87 0.00 1.41 1.65 0.00 2.90 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.00 25 R 8.23 4.47 0.00 1.71 1.87 0.00 3.12 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 26 F 8.87 4.72 0.00 2.70 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.91 5.26 0.00 1.98 2.16 0.00 3.16 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 28 F 8.89 5.09 0.00 3.14 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 29 G 9.03 4.53 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 0.00 0.00 0.00 30 A 7.82 5.20 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 31 L 9.05 5.26 0.00 1.99 1.67 1.03 0.93 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 32 V 9.87 4.68 2.12 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 0.98 0.00 0.00 0.97 0.00 0.00 33 V 8.75 4.97 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 0.99 0.00 0.00 0.94 0.00 0.00 34 V 8.78 4.59 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 0.35 0.00 0.00 0.86 0.00 0.00 35 G 8.19 4.71 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 0.00 0.00 0.00 36 D 8.71 4.82 0.00 2.74 2.79 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 37 R 8.66 4.26 0.00 2.02 2.17 0.00 3.12 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 38 Q 9.68 4.49 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.17 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 39 G 6.68 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.96 5.10 0.00 1.90 1.86 0.00 3.41 0.00 0.00 3.42 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 41 V 8.38 4.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.90 0.00 0.00 42 G 9.23 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.56 4.85 0.00 1.71 1.40 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.76 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 0.00 0.00 0.00 0.00 45 F 9.25 5.47 0.00 3.10 3.12 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 46 G 9.18 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 0.00 0.00 0.00 0.00 47 K 9.30 5.77 0.00 1.58 1.66 0.00 1.73 0.00 0.00 2.38 0.00 0.00 3.22 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 0.77 7.81 48 A 8.30 4.51 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 49 P 0.00 4.34 0.00 2.10 2.22 0.00 3.66 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 2.07 2.15 0.00 50 E 7.73 4.42 0.00 1.94 1.63 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 2.12 2.18 0.00 51 V 7.26 3.27 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 0.92 0.00 0.00 0.22 0.00 0.00 52 P 0.00 4.13 0.00 2.10 2.06 0.00 3.51 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 53 L 7.81 3.89 0.00 1.69 1.68 0.86 0.81 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 54 A 7.79 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.37 3.52 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 56 Q 8.30 3.87 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 57 K 9.55 3.80 0.00 1.90 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.31 7.81 58 A 8.33 4.25 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.14 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 60 Y 8.23 4.17 0.00 2.78 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 61 Y 7.72 4.04 0.00 3.10 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 62 A 7.96 4.19 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 63 R 7.30 3.70 0.00 1.68 1.90 0.00 3.14 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 64 R 7.41 4.23 0.00 1.45 1.96 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 65 N 7.70 4.64 0.00 2.73 2.63 0.00 0.00 7.12 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 66 M 7.82 5.50 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 67 V 7.57 4.39 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 68 E 8.89 4.35 0.00 1.99 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 2.27 2.30 0.00 69 V 8.02 4.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 70 P 0.00 4.43 0.00 2.05 2.03 0.00 3.76 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 1.98 2.21 0.00 71 L 8.12 3.75 0.00 1.64 1.62 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.19 4.40 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.45 0.00 0.00 0.00 0.00 0.00 2.23 2.56 0.00 73 N 8.46 3.96 0.00 2.93 2.84 0.00 0.00 6.94 7.90 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 74 G 7.94 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 0.00 0.00 0.00 75 T 7.24 4.63 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 1.31 0.00 0.00 76 I 8.11 4.42 1.87 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 1.46 0.92 1.01 0.00 0.00 77 P 0.00 4.38 0.00 2.16 2.08 0.00 3.85 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 1.72 1.84 0.00 78 H 6.77 4.39 0.00 3.29 3.32 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.63 4.88 0.00 2.05 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 2.25 2.38 0.00 80 I 8.76 4.65 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 1.26 1.02 0.95 0.00 0.00 81 E 8.49 5.63 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 82 V 8.55 4.29 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 1.10 0.00 0.00 0.97 0.00 0.00 83 E 8.81 4.77 0.00 2.00 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 0.00 2.25 2.28 0.00 84 F 8.46 4.33 0.00 3.01 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 85 G 7.61 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 86 A 7.51 4.60 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 87 S 8.07 4.83 0.00 3.89 3.83 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 88 K 8.54 5.15 0.00 1.82 1.69 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 7.77 4.60 1.89 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 1.24 1.22 1.04 0.00 0.00 90 V 8.43 4.83 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 0.79 0.00 0.00 1.01 0.00 0.00 91 L 9.16 4.93 0.00 1.71 1.56 0.93 0.82 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 92 K 9.25 4.98 0.00 1.65 1.69 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 93 P 0.00 5.08 0.00 2.08 2.06 0.00 3.73 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 1.96 1.98 0.00 94 A 8.01 4.83 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 95 A 8.73 4.28 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 96 P 0.00 5.16 0.00 2.06 1.98 0.00 3.75 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 97 G 8.57 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 98 T 7.57 3.83 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 1.21 0.00 0.00 99 G 7.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 4.44 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 0.97 0.00 0.00 101 I 8.15 4.13 1.88 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 0.81 0.92 0.00 0.00 102 A 7.47 4.94 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 0.00 103 G 8.63 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 0.00 104 A 8.61 3.55 1.33 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 0.00 0.00 105 V 7.50 3.94 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 1.17 0.00 0.00 0.99 0.00 0.00 106 P 0.00 4.23 0.00 2.30 2.32 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 107 R 9.16 3.96 0.00 1.75 2.17 0.00 3.14 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 108 A 7.58 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.57 4.00 2.02 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 1.51 0.81 0.90 0.00 0.00 110 L 9.01 3.84 0.00 1.72 1.75 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.46 3.98 0.00 2.09 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 2.33 2.49 0.00 112 L 8.00 4.03 0.00 1.79 1.76 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.26 4.07 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 0.00 114 G 8.34 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 0.00 115 V 7.78 4.07 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 0.88 0.00 0.00 0.94 0.00 0.00 116 T 10.31 4.47 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 0.00 117 D 7.91 5.13 0.00 2.60 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.64 4.88 1.88 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 1.24 1.55 0.92 0.00 0.00 119 L 8.98 5.21 0.00 1.60 1.53 0.95 0.77 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 0.00 120 T 8.31 5.18 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 1.22 0.00 0.00 121 K 8.35 4.62 0.00 1.85 1.65 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.46 7.81 122 E 8.95 4.57 0.00 1.90 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 2.30 2.34 0.00 123 L 8.34 4.39 0.00 1.74 1.59 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.68 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 0.00 0.00 0.00 125 S 8.58 4.53 0.00 3.81 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 0.00 126 R 7.90 4.68 0.00 1.77 1.90 0.00 3.26 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 127 N 8.19 4.44 0.00 2.68 2.67 0.00 0.00 7.23 8.48 0.00 0.00 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 P 0.00 4.45 0.00 2.17 2.07 0.00 3.65 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 2.12 2.22 0.00 129 I 7.93 3.37 1.59 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.24 0.00 0.00 130 N 7.93 4.05 0.00 2.73 3.04 0.00 0.00 6.88 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.81 3.64 2.07 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 1.66 1.06 1.01 0.00 0.00 132 A 8.33 3.91 1.41 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 0.00 0.00 0.00 133 Y 8.32 3.76 0.00 2.13 1.56 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 0.00 0.00 0.00 0.00 134 A 7.92 4.09 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.18 3.77 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 136 M 8.49 3.92 0.00 1.83 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 137 E 8.07 3.88 0.00 2.29 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 2.43 2.62 0.00 138 A 8.23 4.07 1.38 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 0.00 139 L 8.31 3.89 0.00 1.80 1.75 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.05 3.97 0.00 1.86 2.15 0.00 3.24 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 141 Q 8.09 4.29 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.57 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 142 L 6.59 4.17 0.00 1.57 1.61 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.91 4.68 0.00 1.81 1.79 0.00 3.32 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 144 T 8.02 4.69 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 0.00 145 K 8.86 3.99 0.00 1.79 1.82 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.51 7.81 146 A 7.58 3.38 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 0.00 147 D 8.17 4.32 0.00 2.92 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 0.00 148 V 7.67 3.65 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 0.87 0.00 0.00 1.00 0.00 0.00 149 E 8.52 4.09 0.00 2.19 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 2.51 2.46 0.00 150 R 7.54 3.80 0.00 1.76 2.14 0.00 3.31 0.00 0.00 3.22 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 151 L 7.50 4.12 0.00 1.65 1.77 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.63 4.50 0.00 1.96 1.88 0.00 3.20 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 153 K 8.13 4.29 0.00 1.70 1.66 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 154 G 8.98 3.41 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 0.00 0.00 0.00 0.00 *155 E 8.39 4.13 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.