NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3696 8.2549 119.0746 55.5890 31.8104 175.9437 3 N 4.6532 8.0732 112.0856 52.0454 39.9289 172.7754 4 K 4.2216 8.0081 120.4973 55.1201 33.9151 175.5285 5 N 4.4509 8.4012 124.7130 52.8806 39.8835 173.7964 *7 S 4.1134 8.2444 114.6422 58.1013 62.9364 173.1926 8 T 4.1726 8.4508 125.0963 63.4521 68.6111 174.6511 9 I 4.0629 8.4630 128.1036 63.4957 37.7838 175.9355 10 Y 4.9484 7.6494 118.5820 55.8078 41.7731 173.6055 11 Q 4.2380 7.8579 125.8673 54.5102 32.2295 173.6638 12 T 4.5183 7.7676 117.1666 60.8731 70.9885 172.2252 13 S 4.8225 8.0934 116.6192 57.0818 66.4336 172.6879 14 A 5.1262 8.3670 121.3015 50.9041 22.3942 175.4974 15 T 4.7379 8.9676 115.7330 61.6808 72.3015 173.4153 16 A 4.8531 8.6457 127.3675 50.4554 22.1093 175.7948 17 S 4.6546 8.6741 112.2711 57.5668 64.7929 174.2612 18 A 4.7483 7.7319 124.7370 52.2934 20.4483 178.0523 19 G 3.7284 7.8485 113.7641 48.6550 0.0000 176.2144 20 R 3.9728 8.4606 122.7871 56.7745 30.5761 175.4210 21 N 5.0988 7.1740 116.2437 50.2824 39.6867 171.8786 22 G 4.1737 7.2046 107.2437 46.7198 0.0000 172.9456 23 V 4.8900 8.5952 122.6048 61.8960 33.5942 177.0556 24 V 4.8833 8.7445 124.8247 60.3148 34.9809 174.0783 25 S 5.2187 8.6360 117.3802 56.9247 66.7125 173.5548 26 T 4.4258 8.9458 113.2251 61.6877 69.2735 175.5851 27 E 3.4424 9.1716 124.4155 59.2832 29.6228 178.0072 28 D 4.4244 8.0644 116.1158 53.4815 39.8602 176.9629 29 K 3.8921 8.9908 119.2100 56.8072 30.6012 175.9675 30 L 4.0220 8.3174 122.2285 57.3437 42.1735 176.8967 31 L 4.8005 8.2246 120.7203 53.1523 44.7514 175.2529 32 E 5.1260 8.8504 124.9870 54.6819 32.7554 175.1281 33 L 4.8909 9.2841 123.9038 53.0135 46.3284 175.3351 34 N 5.0380 8.6854 119.0693 52.4095 40.1423 174.0599 35 L 5.3003 8.7729 122.5346 53.2479 45.3266 175.6049 36 S 5.0992 8.5103 114.9544 56.9897 66.7101 173.4794 37 Y 4.3278 8.5465 118.8793 57.4050 38.9299 174.5172 38 P 4.8225 0.0000 0.0000 62.0554 32.5354 177.2216 39 K 4.1272 8.6892 118.0053 59.1881 31.9065 180.1082 40 E 4.0818 8.0706 117.2776 56.2338 28.3698 177.8791 *42 G 3.7674 8.2147 105.8767 44.9327 0.0000 173.9660 43 G 4.1669 7.9856 110.5668 44.1585 0.0000 174.4263 44 S 4.1913 8.7652 112.6628 58.7779 63.5559 174.7897 45 G 3.9641 7.9166 108.0190 46.7293 0.0000 174.2493 46 T 4.2220 7.4468 107.7076 61.7402 69.3228 173.4183 47 A 4.5592 7.2408 122.4309 51.4558 22.8365 175.0021 48 T 4.5829 8.0076 114.1474 62.0457 69.7409 172.5177 49 N 5.1892 8.2486 118.3370 50.0860 40.5496 173.9265 50 P 4.3007 0.0000 0.0000 65.5461 31.2767 178.9513 51 E 4.0911 8.2038 117.3040 59.4986 29.4269 179.1416 52 Q 4.0898 8.8488 118.5227 58.9226 28.6752 178.6847 53 L 4.0416 8.1872 120.1311 57.8314 41.6612 179.4332 54 F 4.3243 8.5254 120.4583 61.1262 39.2730 177.0687 55 A 4.0195 8.3189 120.5550 55.1563 18.1977 179.8627 56 V 3.5979 8.1299 116.9251 66.1365 31.6425 178.5910 57 G 3.6743 8.3126 107.1522 47.3285 0.0000 175.1156 58 Y 3.2686 8.1743 122.1153 60.0195 38.7337 177.7345 59 A 3.9433 8.2086 121.8163 55.2113 18.3975 179.5504 60 A 3.9005 7.9992 119.2013 55.3523 18.4003 179.4785 61 C 3.9517 8.1949 117.7211 62.5207 31.5834 175.6167 62 F 4.3284 8.6711 122.7988 61.0791 38.9484 177.1287 63 S 4.0048 8.3152 112.9158 61.4751 62.1690 175.6209 64 N 4.2078 8.3117 119.1037 56.5257 38.3170 177.1350 65 A 3.9510 8.2881 122.1508 55.2281 18.3826 179.7758 66 I 3.4741 7.5818 118.2341 64.5003 37.1099 178.7611 67 L 3.9376 7.8585 119.8589 57.6614 41.3643 178.8763 68 H 4.0694 8.3964 118.6077 59.5033 29.8383 177.5488 69 V 3.4632 7.7721 119.6472 65.5922 31.2592 177.7099 70 A 3.9445 8.1142 120.7616 55.3308 18.3238 179.6870 71 R 3.8478 8.0439 116.5054 59.6709 29.9279 179.2414 72 E 3.9700 7.9749 116.8547 58.7626 29.5058 178.2725 73 A 4.3095 7.8695 118.0524 50.9482 19.3045 176.9178 74 K 3.7093 7.6395 115.6825 57.4170 30.1438 175.7359 75 V 4.0068 7.9871 118.4677 61.0084 32.4506 174.9837 76 A 4.1844 8.5127 130.9627 51.4123 17.8658 175.8539 77 L 4.6279 8.0932 124.0951 53.5981 43.9980 176.2235 78 K 4.1163 8.8339 127.7110 59.0807 32.4523 176.3518 79 E 4.7584 7.7140 114.3292 54.9967 33.6333 175.1918 80 A 4.6207 8.0149 122.3508 49.5209 19.1622 173.1623 81 P 4.4641 0.0000 0.0000 62.1539 33.0140 175.7153 82 V 4.8791 8.2942 123.1362 61.5032 34.7858 174.3069 83 T 4.6043 9.1115 124.6895 61.9518 70.3498 173.2573 84 A 5.0551 8.5616 128.1236 50.3356 21.5297 175.5728 85 T 4.5777 9.0417 118.8241 61.6445 71.6677 173.2563 86 V 4.8891 8.6733 126.1373 61.0107 34.1280 174.7148 87 G 4.3999 9.4285 114.5928 44.4556 0.0000 171.5975 88 I 5.2117 8.1760 120.4245 59.3354 41.3561 174.2939 89 G 4.3971 8.6361 114.2393 44.8384 0.0000 170.4298 90 P 4.5030 0.0000 0.0000 62.5315 31.8078 176.0509 91 N 4.4882 8.3723 117.5161 52.5756 37.6528 176.1623 92 G 3.8716 8.0705 106.5036 46.2258 0.0000 173.9615 93 Q 4.4145 8.5297 115.9964 55.1838 29.8356 176.3581 94 G 3.9893 8.4158 106.2160 45.0232 0.0000 174.0942 95 G 4.3720 7.7259 109.4520 44.2466 0.0000 171.7719 96 F 5.3265 8.4871 117.2514 56.0335 43.5595 174.1103 97 A 4.8021 9.2676 121.9049 50.5117 22.9096 174.9596 98 L 5.2433 8.5123 119.6170 53.1560 43.9849 176.1613 99 S 4.9543 9.0466 117.3645 56.6178 66.2731 173.1468 100 V 5.0429 8.3090 120.5155 61.3022 35.0744 173.5254 101 A 5.0806 9.0839 129.1504 50.0034 22.3155 174.7045 102 L 4.8916 8.7720 121.0939 52.6644 45.0854 175.4152 103 A 4.9937 9.4414 126.0203 49.2432 21.4776 174.5211 104 A 5.0040 9.0871 125.0145 51.2614 21.4684 175.5572 105 H 5.3140 9.0868 119.5023 54.2098 30.9110 173.6928 106 I 4.4173 9.3373 124.6024 59.3454 40.1007 177.2764 107 A 4.4149 8.4240 130.5778 50.9753 16.8101 176.1291 108 L 4.8009 7.1238 120.2750 50.7884 46.7180 176.9608 109 E 3.9023 8.7095 120.2987 56.7452 31.3447 177.8283 110 D 4.3494 8.6932 125.0761 57.8292 41.0686 179.1414 111 E 4.0149 8.4495 118.3672 59.3543 29.5009 179.3280 112 Q 3.9483 8.4831 117.9188 58.9623 28.7556 178.5494 113 A 3.9966 8.4254 122.1819 55.0912 18.2729 179.6998 114 R 3.8038 8.0723 117.0411 59.6567 30.2495 178.6463 115 Q 3.9718 8.0104 117.7968 58.9348 28.7378 178.6359 116 L 3.8972 7.8574 121.1138 58.4073 42.1776 179.3219 117 V 3.5046 8.0255 118.1508 66.0045 31.1836 178.1307 118 T 3.9455 7.9521 115.1626 66.6398 68.6521 176.4483 119 V 3.7364 7.9316 119.9277 65.9414 31.5393 177.8686 120 A 3.9675 8.0743 120.6056 55.4338 17.8737 179.0719 121 H 4.7389 8.1667 115.9181 59.4405 30.0346 177.2104 122 Q 4.1725 7.9962 119.2736 58.1349 28.6464 177.8728 123 V 4.1745 7.5186 111.2373 61.1186 33.0436 176.0276 124 C 4.3100 7.9560 120.6838 58.6517 32.1045 172.6697 125 P 4.4028 0.0000 0.0000 66.0143 30.8758 178.3103 126 Y 3.8550 8.1929 116.2980 61.0047 37.1995 178.4995 127 S 4.4776 8.1101 116.8643 61.3279 62.8344 176.4096 128 N 4.4045 8.1881 117.8361 56.1220 38.2944 177.0283 129 A 4.1356 7.9791 121.6710 54.4305 18.7874 179.0914 130 V 4.2086 7.5420 107.8321 59.8630 32.2629 175.9218 131 R 4.0954 7.0714 119.8146 57.8919 30.2503 176.5273 132 G 4.1160 9.0230 113.5067 45.7622 0.0000 174.1646 133 N 4.5495 8.1417 116.1009 55.0561 39.2224 175.1468 134 I 4.3448 7.4665 117.3285 59.6768 38.5483 176.0828 135 D 4.5627 8.4576 125.7813 52.9100 39.5509 173.8466 136 V 3.8648 7.9870 123.1402 62.6318 32.5350 175.0124 137 Q 4.2563 9.0818 128.4440 55.4534 29.4864 174.8750 138 V 4.7166 8.2300 125.0354 60.9667 34.0015 174.5880 139 S 5.2154 9.0409 121.8282 56.4799 67.0180 172.9595 140 V 4.2531 8.5464 121.1204 61.4912 34.0821 175.4045 141 N 4.1541 10.2564 127.6012 54.3532 36.6116 175.4857 142 G 3.9672 8.5673 105.1495 44.8780 0.0000 173.3129 143 L 4.6201 7.6974 121.9090 52.4851 44.1314 175.5292 144 A 4.4890 8.4424 128.7589 52.2113 19.1046 177.1773 145 L 4.2081 8.6167 120.9630 55.0960 41.6872 177.1124 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 R 8.25 4.37 0.00 1.85 1.92 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 3 N 8.07 4.65 0.00 2.77 2.86 0.00 0.00 6.81 6.73 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 4 K 8.01 4.22 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 5 N 8.40 4.45 0.00 2.71 2.70 0.00 0.00 7.09 7.63 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 *7 S 8.24 4.11 0.00 3.90 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 8 T 8.45 4.17 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 1.23 0.00 0.00 9 I 8.46 4.06 1.93 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 1.32 0.67 0.96 0.00 0.00 10 Y 7.65 4.95 0.00 2.75 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 11 Q 7.86 4.24 0.00 1.87 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 12 T 7.77 4.52 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 13 S 8.09 4.82 0.00 3.88 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 14 A 8.37 5.13 1.19 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 0.00 0.00 0.00 15 T 8.97 4.74 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 1.20 0.00 0.00 16 A 8.65 4.85 1.16 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 0.00 0.00 17 S 8.67 4.65 0.00 3.93 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 18 A 7.73 4.75 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 19 G 7.85 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 20 R 8.46 3.97 0.00 1.09 1.26 0.00 3.06 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 21 N 7.17 5.10 0.00 2.68 2.67 0.00 0.00 7.11 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.20 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 0.00 0.00 0.00 23 V 8.60 4.89 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.99 0.00 0.00 24 V 8.74 4.88 2.06 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 0.73 0.00 0.00 0.95 0.00 0.00 25 S 8.64 5.22 0.00 3.82 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.95 4.43 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 1.24 0.00 0.00 27 E 9.17 3.44 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 28 D 8.06 4.42 0.00 2.80 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 29 K 8.99 3.89 0.00 1.83 1.98 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.36 7.81 30 L 8.32 4.02 0.00 1.87 1.79 0.94 0.78 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 31 L 8.22 4.80 0.00 1.81 1.49 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.85 5.13 0.00 1.84 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 2.20 2.42 0.00 33 L 9.28 4.89 0.00 1.48 1.49 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.69 5.04 0.00 2.64 2.71 0.00 0.00 6.81 6.74 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 35 L 8.77 5.30 0.00 1.53 1.57 0.92 1.00 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 36 S 8.51 5.10 0.00 3.85 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 37 Y 8.55 4.33 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.82 0.00 2.45 2.21 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 39 K 8.69 4.13 0.00 1.78 1.95 0.00 2.08 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.41 7.81 40 E 8.07 4.08 0.00 1.96 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 2.34 2.39 0.00 *42 G 8.21 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 43 G 7.99 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 0.00 0.00 0.00 44 S 8.77 4.19 0.00 4.01 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 45 G 7.92 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 46 T 7.45 4.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 47 A 7.24 4.56 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 48 T 8.01 4.58 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 1.28 0.00 0.00 49 N 8.25 5.19 0.00 2.77 2.98 0.00 0.00 5.97 7.76 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 50 P 0.00 4.30 0.00 2.14 2.11 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 51 E 8.20 4.09 0.00 2.23 2.06 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 2.42 2.47 0.00 52 Q 8.85 4.09 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 53 L 8.19 4.04 0.00 1.94 1.81 0.94 0.88 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 54 F 8.53 4.32 0.00 3.31 3.33 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 55 A 8.32 4.02 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.13 3.60 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 1.01 0.00 0.00 1.01 0.00 0.00 57 G 8.31 3.67 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 0.00 0.00 0.00 58 Y 8.17 3.27 0.00 2.48 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 59 A 8.21 3.94 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 60 A 8.00 3.90 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 61 C 8.19 3.95 0.00 2.43 2.60 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 0.00 0.00 0.00 62 F 8.67 4.33 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.32 4.00 0.00 4.01 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 64 N 8.31 4.21 0.00 2.98 2.84 0.00 0.00 6.98 7.96 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 65 A 8.29 3.95 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 66 I 7.58 3.47 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.04 0.81 0.00 0.00 67 L 7.86 3.94 0.00 1.83 1.69 0.89 0.99 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 68 H 8.40 4.07 0.00 3.26 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.77 3.46 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 0.91 0.00 0.00 0.95 0.00 0.00 70 A 8.11 3.94 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 71 R 8.04 3.85 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 72 E 7.97 3.97 0.00 1.98 1.95 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 2.30 2.30 0.00 73 A 7.87 4.31 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.64 3.71 0.00 1.94 1.90 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.34 7.81 75 V 7.99 4.01 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 0.74 0.00 0.00 0.96 0.00 0.00 76 A 8.51 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 77 L 8.09 4.63 0.00 1.53 1.52 0.90 0.62 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 78 K 8.83 4.12 0.00 1.74 1.81 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 79 E 7.71 4.76 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 80 A 8.01 4.62 1.15 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 81 P 0.00 4.46 0.00 2.14 2.01 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 82 V 8.29 4.88 2.28 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 0.91 0.00 0.00 1.08 0.00 0.00 83 T 9.11 4.60 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 1.20 0.00 0.00 84 A 8.56 5.06 1.09 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 85 T 9.04 4.58 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 1.22 0.00 0.00 86 V 8.67 4.89 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 0.99 0.00 0.00 1.21 0.00 0.00 87 G 9.43 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.18 5.21 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 0.93 0.00 0.00 89 G 8.64 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.50 0.00 2.00 1.79 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 91 N 8.37 4.49 0.00 2.78 2.91 0.00 0.00 6.98 6.56 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 92 G 8.07 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 0.00 0.00 0.00 93 Q 8.53 4.41 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 94 G 8.42 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 95 G 7.73 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 96 F 8.49 5.33 0.00 2.88 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 97 A 9.27 4.80 1.19 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 0.00 0.00 0.00 98 L 8.51 5.24 0.00 1.47 1.59 0.33 0.82 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 99 S 9.05 4.95 0.00 3.87 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 0.00 100 V 8.31 5.04 2.19 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 0.91 0.00 0.00 1.30 0.00 0.00 101 A 9.08 5.08 1.15 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 0.00 102 L 8.77 4.89 0.00 1.00 0.95 -0.55 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.44 4.99 1.16 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 0.00 0.00 104 A 9.09 5.00 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 0.00 105 H 9.09 5.31 0.00 2.98 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.34 4.42 1.86 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 1.22 0.59 0.89 0.00 0.00 107 A 8.42 4.41 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 0.00 108 L 7.12 4.80 0.00 1.55 1.50 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.71 3.90 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 110 D 8.69 4.35 0.00 2.72 2.71 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 0.00 111 E 8.45 4.01 0.00 2.27 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 2.40 2.34 0.00 112 Q 8.48 3.95 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 113 A 8.43 4.00 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 R 8.07 3.80 0.00 2.16 2.04 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 115 Q 8.01 3.97 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 116 L 7.86 3.90 0.00 1.81 1.92 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.03 3.50 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 1.12 0.00 0.00 0.91 0.00 0.00 118 T 7.95 3.95 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 119 V 7.93 3.74 2.19 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 1.01 0.00 0.00 1.00 0.00 0.00 120 A 8.07 3.97 1.09 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 0.00 121 H 8.17 4.74 0.00 3.58 3.66 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.00 4.17 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 123 V 7.52 4.17 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 0.84 0.00 0.00 1.06 0.00 0.00 124 C 7.96 4.31 0.00 3.29 3.09 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 0.00 125 P 0.00 4.40 0.00 2.39 2.35 0.00 3.84 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 2.22 2.13 0.00 126 Y 8.19 3.86 0.00 2.39 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 0.00 0.00 0.00 0.00 127 S 8.11 4.48 0.00 4.23 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 0.00 128 N 8.19 4.40 0.00 2.74 2.90 0.00 0.00 7.04 6.80 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 0.00 129 A 7.98 4.14 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 0.00 130 V 7.54 4.21 2.18 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 0.92 0.00 0.00 1.16 0.00 0.00 131 R 7.07 4.10 0.00 1.99 1.87 0.00 3.30 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 1.66 1.61 0.00 132 G 9.02 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 0.00 133 N 8.14 4.55 0.00 2.91 2.87 0.00 0.00 6.91 7.06 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 0.00 134 I 7.47 4.34 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 1.01 0.00 0.00 135 D 8.46 4.56 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.99 3.86 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 0.61 0.00 0.00 1.20 0.00 0.00 137 Q 9.08 4.26 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 138 V 8.23 4.72 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 1.07 0.00 0.00 0.50 0.00 0.00 139 S 9.04 5.22 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.55 4.25 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 0.97 0.00 0.00 0.96 0.00 0.00 141 N 10.26 4.15 0.00 2.81 2.86 0.00 0.00 7.28 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 0.00 142 G 8.57 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.70 4.62 0.00 1.71 1.50 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.44 4.49 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 0.00 145 L 8.62 4.21 0.00 1.81 1.61 0.94 0.81 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 * Residues marked with a * may have inaccurate shift predictions.