NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3448 8.2549 119.7093 55.6292 31.5507 175.1915 5 K 4.0903 8.4965 121.9167 55.0570 32.9250 174.5890 6 P 4.5181 0.0000 0.0000 63.1643 33.8427 174.7877 7 I 4.8601 9.0363 123.6921 59.7219 39.8610 174.5360 8 I 4.6975 8.8255 128.9892 59.4073 39.3900 175.3744 9 G 4.2026 8.8120 115.1179 44.8781 0.0000 172.4489 10 V 5.0422 8.4380 122.7050 61.0091 34.1514 174.4469 11 M 4.8130 8.8069 127.1798 53.9472 35.8400 174.2557 12 G 4.7300 8.3926 109.9891 45.2116 0.0000 170.7704 13 P 4.5485 0.0000 0.0000 62.6699 32.8075 177.3521 14 G 4.2505 8.3092 109.1682 44.7082 0.0000 173.8880 15 K 3.8869 8.7890 118.8580 59.4903 32.3101 179.4539 16 A 4.0400 8.1046 119.8908 54.5967 18.3192 177.5379 17 D 4.8229 7.8014 112.3214 54.2887 41.7323 175.9795 18 T 4.4804 7.3456 116.5880 61.9480 69.5039 175.4110 19 A 4.2878 8.7059 128.7433 51.4775 20.6569 177.7863 20 E 3.9228 8.6161 121.5345 59.4055 29.7772 178.9103 21 N 4.4212 8.1275 116.6540 55.9504 37.3502 177.1683 22 Q 4.0072 8.0315 120.0802 58.6334 28.8542 178.2050 23 L 3.9822 7.9621 120.1272 57.8534 41.6044 179.7999 24 V 3.5826 7.6855 117.6284 66.2471 31.4415 177.8739 25 M 4.0225 8.1987 118.2038 58.4231 31.7961 178.6266 26 A 3.9986 8.3636 121.1962 55.1093 18.5478 179.2166 27 N 4.4471 8.3119 115.5562 57.0121 39.1050 177.0156 28 E 3.9794 8.4757 120.3005 59.1428 29.4806 178.9767 29 L 4.0791 8.4340 121.0390 58.2046 42.1485 179.2725 30 G 3.6806 8.2620 105.5817 47.6869 0.0000 175.5754 31 K 4.0263 8.0256 120.9198 59.6455 32.1553 179.5066 32 Q 4.0640 8.0992 119.3264 58.1140 28.5996 178.5518 33 I 3.8238 8.2686 121.3078 64.4594 37.2350 178.0688 34 A 3.9472 7.9194 121.4714 55.5557 18.0253 179.8872 35 T 3.7754 8.0969 108.3650 64.8522 68.5021 175.3553 36 H 4.1013 7.4359 116.4564 54.9957 28.6137 175.4940 37 G 3.7519 7.4890 108.8107 46.0829 0.0000 173.5456 38 W 5.1809 7.5030 118.0135 54.6809 31.8099 175.7986 39 I 4.4168 8.7506 123.7336 60.5961 38.4547 174.7047 40 L 4.8268 8.6059 129.3215 54.0752 43.7598 174.7968 41 L 5.1150 8.7342 128.5298 53.7970 44.6454 175.0229 42 T 4.6965 8.7512 120.1289 60.6716 71.7010 172.4022 43 G 3.9773 8.7936 110.5884 46.8202 0.0000 173.8816 44 G 4.0808 8.9455 110.5826 46.2750 0.0000 174.3644 45 R 4.5103 7.8754 118.4816 57.1213 32.5445 176.8116 46 S 4.2374 7.9428 113.1258 58.2353 63.1596 174.2617 47 L 4.9915 8.4212 129.1581 54.6495 43.5091 176.6197 48 G 4.0974 7.6368 111.7964 45.0928 0.0000 174.5666 49 V 3.5800 7.4101 124.7312 66.3370 31.3219 176.3872 50 M 4.0655 7.9439 117.6829 58.5843 31.8202 178.1241 51 H 4.2272 7.9293 117.1407 59.2840 30.0247 177.1636 52 E 3.8850 8.2827 120.2696 59.1988 29.2258 179.1752 53 A 4.1529 8.2651 121.0217 55.3545 18.5171 179.0775 54 M 3.9231 7.9349 116.6476 58.8843 32.2515 178.3714 55 K 3.9600 8.2810 118.7934 59.5408 32.1672 179.4241 56 G 3.6191 8.2364 105.5844 47.7526 0.0000 175.4150 57 A 4.1351 8.1368 123.4054 54.8770 18.3710 179.6865 58 K 3.9321 8.1407 118.0734 59.6986 32.0347 178.8676 59 E 3.9546 8.2600 117.8742 58.7923 29.4028 178.1495 60 A 4.5061 7.6057 118.0910 51.6100 19.0200 177.7462 61 G 3.7587 8.1663 106.4061 45.8220 0.0000 174.1534 62 G 4.0310 8.1094 107.4000 45.3073 0.0000 173.5660 63 T 5.0345 8.2810 116.2463 62.2958 70.6744 174.3690 64 T 5.0895 9.0259 115.4232 59.9288 72.4239 172.6829 65 I 4.7497 9.2511 125.7948 59.6029 39.8747 174.5486 66 G 4.3966 8.8317 115.1427 44.4490 0.0000 172.0277 67 V 5.0105 8.9250 126.6204 61.2258 33.5414 174.6115 68 L 5.1138 9.2353 127.2429 53.6548 43.9331 175.2022 69 P 4.4207 0.0000 0.0000 64.3037 32.4802 176.1327 *77 S 4.3992 7.9073 114.2955 57.7686 63.1660 174.0925 78 D 4.4365 8.6804 124.5846 56.9542 40.7383 177.8250 79 A 4.0506 7.9541 121.2898 54.0022 18.5391 177.5961 80 V 3.9024 7.5241 116.7218 62.6307 31.9018 175.3808 81 D 4.5414 9.0648 128.3799 56.6254 41.8027 176.8573 82 I 4.4092 7.8493 121.7409 58.8446 39.7207 172.9157 83 P 5.0454 0.0000 0.0000 61.8481 32.3972 175.8433 84 I 4.3448 8.8737 126.5342 59.6188 39.2971 174.8574 85 V 4.7502 8.3715 128.1087 61.5146 31.9953 175.3535 86 T 3.9756 9.2657 120.2416 61.5716 69.7618 175.5580 87 G 3.9605 7.5207 109.1929 46.7071 0.0000 173.8488 88 L 4.4918 7.9260 116.3886 52.8933 42.4452 178.5511 89 G 3.8181 7.8635 107.7584 46.4696 0.0000 174.1825 90 S 4.6653 8.2781 115.6149 57.8487 63.6700 175.6466 91 A 4.1660 8.1780 125.1819 54.4789 18.3934 178.3546 92 R 4.6331 7.1654 112.8276 54.7033 33.4278 175.8511 93 D 4.6317 8.3227 125.5031 53.1761 39.5555 175.2211 94 N 4.7587 7.8372 118.0598 53.3485 39.8520 174.4791 95 I 4.3905 8.2288 119.4620 60.6969 38.6627 175.1602 96 N 4.0726 8.6023 115.5512 54.8859 36.6593 176.1422 97 A 4.0620 7.7837 121.3713 54.9251 19.0266 180.1519 98 L 4.0699 7.8744 114.6456 57.3667 41.7668 178.5923 99 S 4.2618 7.9481 114.1487 60.6724 63.2712 174.9198 100 S 4.5943 7.8896 117.0816 58.0187 63.4843 174.8727 101 N 4.5160 8.9456 121.8730 55.8451 39.0642 176.0641 102 V 4.3924 7.4235 116.8807 60.9584 35.6006 173.5156 103 L 4.9597 8.3978 128.5762 53.3045 44.3909 174.8671 104 V 4.7649 8.8405 126.2920 61.0908 34.0853 173.7962 105 A 5.0502 8.9886 130.3092 50.3180 21.4291 175.4894 106 V 4.5412 8.6520 123.1437 62.1106 33.5837 176.8752 107 G 4.0208 9.6415 119.1477 44.2381 0.0000 171.3692 108 M 4.7171 7.7376 115.7865 53.4870 35.1191 174.6029 109 G 4.0247 8.2403 108.9550 42.4449 0.0000 172.7346 110 P 4.3929 0.0000 0.0000 65.7599 31.4230 179.3273 111 G 3.9113 7.9605 105.0371 47.5602 0.0000 175.7153 112 T 3.8787 7.9169 117.4358 66.3343 68.4933 176.2435 113 A 4.2310 8.5506 122.9195 55.3808 18.3229 179.6247 114 A 4.0245 8.1046 119.0786 55.4394 18.5018 179.7948 115 E 3.9037 8.1133 116.7785 59.3138 29.4729 179.8055 116 V 3.3678 7.9965 118.3319 65.8839 31.4761 177.9140 117 A 4.1269 8.3422 120.8868 55.3413 18.3117 179.6546 118 L 3.9345 8.2827 117.3593 57.6258 41.5704 179.5329 119 A 3.9617 8.1098 120.8772 55.2263 18.3410 179.7062 120 L 3.8856 7.8888 117.5104 57.7132 41.4384 179.4049 121 K 3.8470 8.1549 118.7904 59.4121 32.1398 177.6656 122 A 4.3102 7.6014 117.3937 51.1699 18.9576 176.8992 123 K 3.8558 7.9474 115.9475 57.7982 29.9426 175.6799 124 K 4.7640 7.9161 117.2957 53.6937 34.4995 175.3790 125 P 4.6565 0.0000 0.0000 63.0247 32.7835 175.1821 126 V 4.8059 8.8159 121.6009 61.1346 35.1932 174.0589 127 V 4.7701 8.6903 127.3008 61.1851 33.9447 173.9878 128 L 5.0293 9.0237 128.7721 53.0641 43.7698 175.1553 129 L 4.8965 8.9638 126.8624 53.4748 44.8556 176.6891 130 G 4.1435 8.7835 114.5041 46.7632 0.0000 172.7321 131 T 4.4105 7.7674 108.2587 60.0853 70.7734 174.9942 132 Q 4.4103 8.2325 122.4516 54.3282 31.5456 175.1518 133 P 4.2859 0.0000 0.0000 66.2421 31.1719 178.7079 134 E 3.9878 8.2422 116.4765 59.2609 29.3167 179.1550 135 A 4.0607 7.9846 120.1751 55.2930 18.6493 179.1899 136 E 4.0377 8.1667 116.9585 59.7249 29.6048 179.9428 137 K 4.0039 8.5112 118.7381 59.2855 31.8898 179.2336 138 F 4.1597 8.3415 120.1416 61.4441 39.6615 176.8934 139 F 3.9590 8.0851 117.6433 60.7265 37.2609 177.7245 140 T 3.8894 8.1298 115.6625 66.6909 67.9954 176.7286 141 S 4.3574 7.7209 115.2153 61.1076 62.9514 176.5030 142 L 4.2365 7.1653 121.9542 56.4084 42.2989 177.4865 143 D 4.4148 7.4606 121.6999 52.8082 42.5119 174.9541 144 A 4.0081 8.5694 129.9857 54.7218 18.7248 180.0205 145 G 3.7028 7.9138 104.0505 47.6471 0.0000 174.1391 146 L 4.6016 8.0329 118.2814 54.3725 43.4482 175.9588 147 V 4.6203 7.2751 119.1759 61.3725 33.2236 174.4975 148 H 4.8007 9.1259 125.3215 54.0088 31.3721 173.0370 149 V 4.5537 8.5167 123.9237 61.7325 32.3851 174.6727 150 A 4.8287 8.8740 130.2623 50.2137 20.2334 176.7316 151 A 4.1040 8.8304 125.0621 54.6600 19.2234 177.0480 152 D 4.5986 7.5635 114.1228 51.4545 43.2034 176.2048 153 V 3.5816 8.3679 117.7820 66.3061 31.3288 177.5749 154 A 4.0995 8.1113 120.0609 55.0317 18.2183 179.6498 155 G 3.5644 8.7492 104.3567 47.8011 0.0000 175.8803 156 A 4.0037 8.0273 123.0956 55.0853 18.3770 179.8190 157 I 3.7696 8.1263 118.4345 64.4979 37.1515 178.5851 158 A 4.0283 8.2866 121.5071 54.9812 18.1949 179.5616 159 A 3.8848 8.2381 119.4823 55.2155 18.4319 179.9259 160 V 3.3516 7.8954 116.8051 66.0529 31.5311 178.3212 161 K 4.0564 8.4248 118.4471 59.7337 31.8671 179.3298 162 Q 4.0056 8.0984 118.1900 59.0477 28.4061 178.9446 163 L 3.9458 7.7635 118.9271 57.5150 41.6693 179.2008 164 L 4.0310 7.8251 118.3709 57.4766 41.6032 178.9033 165 A 4.1976 8.0976 122.6129 55.4922 18.3928 178.6881 166 K 4.2602 8.1246 125.9020 57.1316 32.0010 179.0532 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 4 R 8.25 4.34 0.00 1.82 1.94 0.00 3.18 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 5 K 8.50 4.09 0.00 1.89 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.57 7.81 6 P 0.00 4.52 0.00 1.67 1.66 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 7 I 9.04 4.86 1.96 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 1.24 0.65 0.90 0.00 0.00 8 I 8.83 4.70 1.93 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.92 0.00 0.00 9 G 8.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.44 5.04 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 0.95 0.00 0.00 11 M 8.81 4.81 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 12 G 8.39 4.73 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 13 P 0.00 4.55 0.00 2.14 2.21 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 14 G 8.31 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.79 3.89 0.00 1.92 1.82 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.45 7.81 16 A 8.10 4.04 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 17 D 7.80 4.82 0.00 2.61 2.68 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 18 T 7.35 4.48 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 19 A 8.71 4.29 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 20 E 8.62 3.92 0.00 2.10 1.96 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 2.38 2.43 0.00 21 N 8.13 4.42 0.00 2.96 3.07 0.00 0.00 6.27 7.52 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 22 Q 8.03 4.01 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 23 L 7.96 3.98 0.00 1.90 1.73 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.69 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.96 0.00 0.00 25 M 8.20 4.02 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 26 A 8.36 4.00 1.44 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 0.00 0.00 0.00 27 N 8.31 4.45 0.00 3.00 2.95 0.00 0.00 7.26 7.23 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 28 E 8.48 3.98 0.00 2.01 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 2.54 2.46 0.00 29 L 8.43 4.08 0.00 1.83 1.86 0.97 0.91 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 30 G 8.26 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 31 K 8.03 4.03 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.57 1.66 7.81 32 Q 8.10 4.06 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 33 I 8.27 3.82 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.15 1.12 0.00 0.00 34 A 7.92 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 3.78 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 1.17 0.00 0.00 36 H 7.44 4.10 0.00 1.40 1.45 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.49 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 38 W 7.50 5.18 0.00 3.47 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 39 I 8.75 4.42 2.01 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 1.16 0.81 1.00 0.00 0.00 40 L 8.61 4.83 0.00 1.85 1.56 0.99 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.73 5.12 0.00 1.78 1.48 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.75 4.70 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 1.25 0.00 0.00 43 G 8.79 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 0.00 0.00 0.00 44 G 8.95 4.08 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 0.00 0.00 0.00 45 R 7.88 4.51 0.00 1.78 1.96 0.00 3.37 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 46 S 7.94 4.24 0.00 3.86 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 47 L 8.42 4.99 0.00 1.61 1.55 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.64 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.41 3.58 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 1.12 0.00 0.00 0.99 0.00 0.00 50 M 7.94 4.07 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 51 H 7.93 4.23 0.00 3.54 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.28 3.88 0.00 2.20 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 2.50 2.48 0.00 53 A 8.27 4.15 1.37 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 54 M 7.93 3.92 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 55 K 8.28 3.96 0.00 1.89 1.80 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 56 G 8.24 3.62 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 0.00 0.00 0.00 57 A 8.14 4.14 1.42 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 0.00 0.00 58 K 8.14 3.93 0.00 1.98 1.91 0.00 1.53 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 59 E 8.26 3.95 0.00 2.16 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 2.34 2.55 0.00 60 A 7.61 4.51 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 61 G 8.17 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 62 G 8.11 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 0.00 0.00 0.00 63 T 8.28 5.03 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 1.23 0.00 0.00 64 T 9.03 5.09 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 1.26 0.00 0.00 65 I 9.25 4.75 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 1.17 1.00 0.92 0.00 0.00 66 G 8.83 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 82 I 7.85 4.41 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 1.23 0.94 0.92 0.00 0.00 83 P 0.00 5.05 0.00 1.94 1.99 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 84 I 8.87 4.34 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 1.12 1.11 0.91 0.00 0.00 85 V 8.37 4.75 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 0.87 0.00 0.00 0.93 0.00 0.00 86 T 9.27 3.98 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 87 G 7.52 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 88 L 7.93 4.49 0.00 1.66 1.67 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.86 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 90 S 8.28 4.67 0.00 3.96 4.02 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 91 A 8.18 4.17 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 92 R 7.17 4.63 0.00 1.71 1.77 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 93 D 8.32 4.63 0.00 2.75 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 94 N 7.84 4.76 0.00 2.68 2.73 0.00 0.00 7.12 7.94 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 95 I 8.23 4.39 1.87 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 1.41 0.91 0.93 0.00 0.00 96 N 8.60 4.07 0.00 2.84 2.84 0.00 0.00 6.93 6.71 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 97 A 7.78 4.06 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 98 L 7.87 4.07 0.00 1.63 1.74 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.95 4.26 0.00 3.89 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 0.00 100 S 7.89 4.59 0.00 3.93 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 0.00 101 N 8.95 4.52 0.00 2.44 2.72 0.00 0.00 6.64 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.42 4.39 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 0.97 0.00 0.00 0.75 0.00 0.00 103 L 8.40 4.96 0.00 1.75 1.42 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.84 4.76 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 1.04 0.00 0.00 0.90 0.00 0.00 105 A 8.99 5.05 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 0.00 106 V 8.65 4.54 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 0.95 0.00 0.00 0.94 0.00 0.00 107 G 9.64 4.02 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 0.00 0.00 0.00 108 M 7.74 4.72 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.75 0.00 109 G 8.24 4.02 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 0.00 0.00 0.00 110 P 0.00 4.39 0.00 2.18 2.14 0.00 3.62 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 2.12 2.18 0.00 111 G 7.96 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 0.00 0.00 0.00 112 T 7.92 3.88 4.48 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 1.20 0.00 0.00 113 A 8.55 4.23 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.10 4.02 1.44 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 0.00 0.00 0.00 115 E 8.11 3.90 0.00 2.12 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 2.50 2.52 0.00 116 V 8.00 3.37 1.61 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 0.08 0.00 0.00 0.73 0.00 0.00 117 A 8.34 4.13 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 0.00 0.00 118 L 8.28 3.93 0.00 1.70 1.73 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.11 3.96 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 0.00 120 L 7.89 3.89 0.00 1.89 1.72 0.97 0.82 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 0.00 121 K 8.15 3.85 0.00 1.82 2.04 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 122 A 7.60 4.31 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 0.00 123 K 7.95 3.86 0.00 1.92 1.93 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.53 7.81 124 K 7.92 4.76 0.00 1.70 1.66 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.51 7.81 125 P 0.00 4.66 0.00 2.06 2.16 0.00 3.58 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 2.10 1.90 0.00 126 V 8.82 4.81 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 0.87 0.00 0.00 0.83 0.00 0.00 127 V 8.69 4.77 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 1.02 0.00 0.00 0.87 0.00 0.00 128 L 9.02 5.03 0.00 1.61 1.59 1.03 0.02 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 0.00 129 L 8.96 4.90 0.00 1.68 1.64 1.01 0.91 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 0.00 130 G 8.78 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.77 4.41 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 1.27 0.00 0.00 132 Q 8.23 4.41 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 133 P 0.00 4.29 0.00 2.17 2.13 0.00 3.62 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 2.13 2.21 0.00 134 E 8.24 3.99 0.00 2.01 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 2.39 2.38 0.00 135 A 7.98 4.06 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 0.00 136 E 8.17 4.04 0.00 2.25 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 0.00 2.40 2.57 0.00 137 K 8.51 4.00 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.63 7.81 138 F 8.34 4.16 0.00 2.78 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.09 3.96 0.00 3.11 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 0.00 140 T 8.13 3.89 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 1.19 0.00 0.00 141 S 7.72 4.36 0.00 4.00 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 0.00 142 L 7.17 4.24 0.00 1.67 1.66 0.74 0.79 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 0.00 143 D 7.46 4.41 0.00 2.71 2.47 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 0.00 144 A 8.57 4.01 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 0.00 145 G 7.91 3.70 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 0.00 0.00 0.00 146 L 8.03 4.60 0.00 1.59 1.66 0.95 0.76 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 0.00 147 V 7.28 4.62 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 0.79 0.00 0.00 1.02 0.00 0.00 148 H 9.13 4.80 0.00 3.24 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.52 4.55 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 0.84 0.00 0.00 0.96 0.00 0.00 150 A 8.87 4.83 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 0.00 151 A 8.83 4.10 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 0.00 152 D 7.56 4.60 0.00 2.93 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 0.00 153 V 8.37 3.58 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 0.97 0.00 0.00 154 A 8.11 4.10 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 0.00 155 G 8.75 3.56 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 0.00 156 A 8.03 4.00 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 0.00 157 I 8.13 3.77 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 0.81 0.00 0.00 158 A 8.29 4.03 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 0.00 159 A 8.24 3.88 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 0.00 160 V 7.90 3.35 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 0.24 0.00 0.00 0.88 0.00 0.00 161 K 8.42 4.06 0.00 2.09 1.97 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.87 2.03 7.81 162 Q 8.10 4.01 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 163 L 7.76 3.95 0.00 1.68 1.61 0.69 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.83 4.03 0.00 1.67 1.63 0.06 0.37 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 0.00 165 A 8.10 4.20 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 0.00 166 K 8.12 4.26 0.00 1.86 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.