NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.2598 8.2548 109.1133 45.1267 0.0000 174.6583 17 I 3.8878 7.2948 120.5984 63.2360 37.5928 175.3525 18 T 3.9779 7.9284 116.8895 62.9631 69.9343 174.3141 19 G 3.4795 7.5926 113.9913 45.2276 0.0000 170.5495 20 T 4.5679 7.4976 117.9368 61.5812 70.1202 174.4348 21 W 4.5781 8.5435 126.0747 54.7757 32.8531 174.1835 22 Y 5.4837 9.3168 120.5830 56.4406 41.3616 175.0682 23 N 5.3073 8.6478 120.9155 50.6262 39.9780 175.8715 24 Q 4.1797 8.7410 116.8345 58.3173 28.8861 177.2460 25 L 4.5100 8.6670 117.6015 54.6073 41.7978 176.8601 26 G 4.4407 8.4335 113.3958 46.7219 0.0000 174.5497 27 S 4.0238 7.1207 115.1410 54.9786 63.9545 173.4448 28 T 5.0248 8.8593 121.3950 61.6163 72.4369 172.8964 29 F 5.3298 9.1415 120.2071 55.0964 41.4731 173.6369 30 I 4.7025 8.4362 123.4470 59.8429 38.8318 175.0349 31 V 4.9684 8.8776 120.8027 59.6958 35.6417 174.8567 32 T 4.7309 9.0019 120.0143 61.7132 71.2513 173.2777 33 A 4.5548 8.6574 129.4168 50.3912 19.0849 177.5199 34 G 3.7669 9.2515 111.7119 45.7508 0.0000 173.7343 35 A 3.9887 8.6685 123.4688 54.3109 19.0731 178.1080 36 D 4.7492 8.1272 114.0688 53.2354 40.9731 176.3733 37 G 3.3060 8.0020 108.5781 43.9942 0.0000 172.2302 38 A 4.6132 7.7033 121.6823 51.5791 20.3425 176.4451 39 L 5.3149 8.7217 120.5770 53.1227 45.1189 175.9250 40 T 4.8948 8.6222 113.8575 60.0483 72.3952 174.1050 41 G 4.3862 8.1255 110.7025 46.3503 0.0000 171.6310 42 T 5.1821 7.7350 108.5507 60.1552 72.7558 172.1901 43 Y 5.3148 9.4577 124.9138 56.2054 41.7420 174.2706 44 E 5.8010 8.2653 122.4897 57.1571 33.4727 175.3634 45 S 4.5934 8.5254 111.7168 59.6061 68.7085 175.2931 *49 N 4.3902 8.0646 117.5088 52.0180 38.4426 174.9365 50 A 3.8735 8.4695 122.6364 55.6478 18.4310 179.9488 51 E 3.8861 7.8621 113.4045 58.7490 29.8597 177.7034 52 S 4.8348 8.2177 114.8029 57.9762 64.5508 173.1053 53 R 5.1906 7.5361 120.4429 54.8942 31.6819 174.9176 54 Y 4.9987 9.2014 122.8304 56.0834 42.8526 174.7394 55 V 4.3008 8.7259 123.0870 62.9705 32.5249 175.0235 56 L 5.1487 8.9457 127.6055 54.4855 43.7076 175.1445 57 T 5.0078 8.5195 113.8753 61.4918 71.5681 173.1517 58 G 4.3781 8.7287 112.7879 46.3254 0.0000 171.8946 59 R 5.5737 8.8967 117.4544 54.9747 34.8061 174.1334 60 Y 5.2964 8.7091 118.2657 55.2001 42.0572 173.9021 61 D 4.5225 9.2279 121.4551 54.0854 41.8485 176.3474 62 S 4.4412 8.3283 119.9421 58.4948 63.7088 175.1615 63 A 4.6870 8.2414 123.1707 50.7335 19.3360 174.1120 64 P 4.7083 0.0000 0.0000 60.9582 32.6601 176.9884 65 A 4.2287 8.3488 121.8055 52.7170 19.0794 177.5851 66 T 4.5164 8.2538 108.2511 61.5001 69.3975 175.5239 67 D 4.4818 8.0217 119.4421 54.1923 39.0989 177.0460 68 G 3.9289 8.0327 106.7973 46.1125 0.0000 174.5118 69 S 4.3047 8.9795 116.1313 58.0876 63.3466 174.2775 70 G 4.0416 8.3238 110.2025 46.1667 0.0000 172.5783 71 T 4.8350 8.7511 116.4083 61.5426 70.3332 174.7328 72 A 4.8428 8.7019 129.4477 52.0521 19.9511 176.0036 73 L 5.0833 8.9453 121.2148 55.3396 44.8839 174.3349 74 G 4.5589 9.2742 104.7047 45.6813 0.0000 172.1614 75 W 5.7118 8.3563 116.8413 55.7926 32.4307 173.3504 76 T 5.2254 9.3157 116.5676 61.8008 72.2835 173.3760 77 V 4.5914 9.0139 124.9585 60.9508 34.4631 173.8443 78 A 4.5451 8.3499 129.5190 50.0589 20.3309 178.0831 79 F 4.1945 8.4182 124.7010 55.6611 37.5844 174.7736 80 K 5.2165 7.8266 120.9812 54.7877 35.6074 174.6881 81 N 5.0815 9.1766 122.9363 51.7035 40.0523 174.2712 82 N 4.0942 8.7399 114.0508 55.6744 38.5398 175.1876 83 Y 4.6015 8.0105 114.5163 57.9515 40.0957 175.4321 84 R 4.5385 7.6737 114.2906 55.4700 32.3903 173.6978 85 N 5.1015 8.4582 116.5805 52.4092 40.5509 173.7906 86 A 4.2658 9.3467 128.9580 52.1074 19.7797 176.2605 87 H 4.2600 8.7066 113.2180 56.6960 27.0547 174.2691 88 S 5.2461 7.6730 112.0211 57.0446 68.0796 174.1341 89 A 4.8745 9.1285 123.3760 50.5861 22.6682 175.0792 90 T 4.7956 8.7009 118.7530 61.6523 71.5939 173.4131 91 T 4.9483 8.4126 115.9837 59.5808 71.9181 172.7855 92 W 4.9517 8.7731 124.8457 54.7794 31.8440 174.6526 93 S 4.7875 8.8017 119.5273 56.7600 64.8448 172.8631 94 G 4.5745 8.6185 113.6031 46.6109 0.0000 171.7001 95 Q 5.3263 8.5221 118.2595 54.8229 32.7319 173.6903 96 Y 4.8209 9.3311 123.7164 57.2603 40.4580 174.0678 97 V 4.1428 8.9150 127.7241 60.9759 33.8076 175.6793 98 G 3.5931 7.9504 116.1232 44.9324 0.0000 169.9328 99 G 3.9958 8.6742 103.2547 44.2841 0.0000 173.7165 100 A 4.1127 8.7539 121.5200 54.5268 19.2113 178.4635 101 E 4.5025 7.8012 116.1376 54.6463 29.4024 175.8865 102 A 4.3742 7.8146 119.4693 53.3620 19.2592 178.5967 103 R 5.2877 9.4252 119.7340 54.9812 35.6174 174.1084 104 I 4.8558 8.9805 122.8471 59.8211 39.9218 174.2694 105 N 5.3418 9.0727 125.6291 52.0908 40.2620 174.4983 106 T 5.3079 9.3523 113.6494 60.1499 73.0598 172.7506 107 Q 5.1969 8.9406 120.9834 54.0536 32.2208 174.7313 108 W 5.4258 8.5537 117.7479 54.8825 32.4522 173.7210 109 L 5.2351 8.6221 120.1910 52.9719 44.7093 175.2389 110 L 4.9080 9.2660 126.7780 53.6724 44.2538 174.9250 111 T 5.1164 8.7728 123.5372 61.9265 71.1831 173.5277 112 S 5.1745 8.5118 122.1797 56.2965 65.0929 174.5411 113 G 3.9071 8.3638 111.6807 46.8553 0.0000 173.0455 114 T 4.7299 8.1811 112.5105 59.8945 71.9778 173.5403 115 T 4.1423 8.2085 113.4191 61.1770 69.8866 175.2319 116 E 4.0149 8.6710 120.4472 59.1594 29.6584 179.6017 117 A 4.2111 7.5462 121.0491 54.4183 18.7936 177.8583 118 N 4.8144 8.0460 111.1284 53.0161 39.2014 176.7332 119 A 4.0945 8.0094 123.1436 54.1025 18.6200 180.6035 120 W 4.3702 8.4864 112.5294 58.6774 28.0529 176.7990 121 K 4.1799 6.7270 117.3421 56.1534 32.2255 177.2913 122 S 4.2247 7.8292 116.7885 60.5850 63.6155 173.4293 123 T 5.1383 7.6458 117.2977 61.6199 70.6372 173.6452 124 L 4.6890 9.0836 127.4270 53.6228 43.6247 176.1668 125 V 4.3280 7.7322 121.3621 60.3317 34.5288 175.3577 126 G 3.2134 6.6398 107.5809 45.8903 0.0000 171.5246 127 H 5.4625 8.2486 113.9913 54.1789 31.9844 172.2893 128 D 4.9323 9.4005 118.0776 53.4004 45.2548 173.8500 129 T 5.1656 8.4614 120.1964 61.8379 71.9985 172.6434 130 F 5.4798 9.7843 125.5357 56.0582 41.7404 174.9215 131 T 5.4067 9.8174 112.8882 60.0258 71.9343 174.9997 132 K 3.6126 8.7788 120.6691 57.4136 32.7107 177.5251 133 V 3.9353 7.6721 122.9009 62.7866 31.5962 174.8773 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 16 G 8.25 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 0.00 0.00 0.00 0.00 17 I 7.29 3.89 1.38 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.64 0.00 0.00 18 T 7.93 3.98 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 1.15 0.00 0.00 19 G 7.59 3.48 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 0.00 20 T 7.50 4.57 3.89 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 0.57 0.00 0.00 21 W 8.54 4.58 0.00 1.78 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.32 5.48 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.65 5.31 0.00 2.70 2.74 0.00 0.00 6.88 7.28 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 24 Q 8.74 4.18 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.46 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 25 L 8.67 4.51 0.00 1.78 1.74 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.43 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 0.00 0.00 0.00 0.00 27 S 7.12 4.02 0.00 4.28 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 28 T 8.86 5.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 29 F 9.14 5.33 0.00 2.95 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 30 I 8.44 4.70 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.84 0.00 0.00 31 V 8.88 4.97 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 0.54 0.00 0.00 1.00 0.00 0.00 32 T 9.00 4.73 4.21 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 1.19 0.00 0.00 33 A 8.66 4.55 0.71 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 34 G 9.25 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 35 A 8.67 3.99 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 36 D 8.13 4.75 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 3.31 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 0.00 38 A 7.70 4.61 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 39 L 8.72 5.31 0.00 1.88 1.62 0.79 0.72 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 40 T 8.62 4.89 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 1.22 0.00 0.00 41 G 8.13 4.39 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 0.00 42 T 7.73 5.18 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 1.23 0.00 0.00 43 Y 9.46 5.31 0.00 3.01 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 44 E 8.27 5.80 0.00 2.12 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 2.18 2.14 0.00 45 S 8.53 4.59 0.00 3.72 3.89 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 *49 N 8.06 4.39 0.00 2.91 2.93 0.00 0.00 6.08 7.60 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 50 A 8.47 3.87 1.10 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 51 E 7.86 3.89 0.00 1.82 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 2.18 1.96 0.00 52 S 8.22 4.83 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 53 R 7.54 5.19 0.00 1.77 1.87 0.00 3.23 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 54 Y 9.20 5.00 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.73 4.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 56 L 8.95 5.15 0.00 1.85 1.66 0.47 -0.28 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 57 T 8.52 5.01 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 1.24 0.00 0.00 58 G 8.73 4.38 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 59 R 8.90 5.57 0.00 1.73 1.77 0.00 3.27 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 1.58 1.73 0.00 60 Y 8.71 5.30 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 61 D 9.23 4.52 0.00 2.84 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 62 S 8.33 4.44 0.00 4.00 3.54 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 63 A 8.24 4.69 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 64 P 0.00 4.71 0.00 2.27 2.19 0.00 3.45 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.35 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.25 4.52 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 1.24 0.00 0.00 67 D 8.02 4.48 0.00 2.80 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 68 G 8.03 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 69 S 8.98 4.30 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.32 4.04 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 0.00 0.00 0.00 71 T 8.75 4.83 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 72 A 8.70 4.84 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 73 L 8.95 5.08 0.00 2.05 1.99 1.20 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.27 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 75 W 8.36 5.71 0.00 3.39 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.32 5.23 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 1.16 0.00 0.00 77 V 9.01 4.59 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 0.23 0.00 0.00 0.82 0.00 0.00 78 A 8.35 4.55 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 79 F 8.42 4.19 0.00 2.99 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.83 5.22 0.00 1.85 1.71 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.46 7.81 81 N 9.18 5.08 0.00 2.90 2.89 0.00 0.00 6.62 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 82 N 8.74 4.09 0.00 1.56 2.36 0.00 0.00 6.62 7.46 0.00 0.00 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 Y 8.01 4.60 0.00 2.95 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 84 R 7.67 4.54 0.00 2.12 2.09 0.00 2.91 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 85 N 8.46 5.10 0.00 2.64 2.61 0.00 0.00 6.94 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 86 A 9.35 4.27 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 87 H 8.71 4.26 0.00 3.35 3.32 0.00 5.57 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.67 5.25 0.00 3.87 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 89 A 9.13 4.87 1.07 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 90 T 8.70 4.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 91 T 8.41 4.95 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 1.12 0.00 0.00 92 W 8.77 4.95 0.00 1.78 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 0.00 0.00 0.00 93 S 8.80 4.79 0.00 3.75 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 94 G 8.62 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.52 5.33 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 96 Y 9.33 4.82 0.00 3.02 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 97 V 8.91 4.14 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 0.83 0.00 0.00 0.91 0.00 0.00 98 G 7.95 3.59 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 0.00 0.00 0.00 99 G 8.67 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 A 8.75 4.11 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 0.00 101 E 7.80 4.50 0.00 1.93 1.93 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 2.25 2.40 0.00 102 A 7.81 4.37 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.43 5.29 0.00 1.76 1.90 0.00 3.15 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 104 I 8.98 4.86 1.97 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 0.99 -0.18 1.20 0.00 0.00 105 N 9.07 5.34 0.00 2.73 2.81 0.00 0.00 6.06 6.40 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 0.00 106 T 9.35 5.31 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 1.44 0.00 0.00 107 Q 8.94 5.20 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 108 W 8.55 5.43 0.00 2.62 2.32 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 0.00 109 L 8.62 5.24 0.00 1.51 1.53 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.27 4.91 0.00 1.58 1.72 0.92 0.72 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 0.00 111 T 8.77 5.12 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 1.18 0.00 0.00 112 S 8.51 5.17 0.00 3.70 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.36 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 0.00 114 T 8.18 4.73 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 115 T 8.21 4.14 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 0.00 116 E 8.67 4.01 0.00 2.07 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 2.41 2.32 0.00 117 A 7.55 4.21 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 0.00 118 N 8.05 4.81 0.00 2.70 2.64 0.00 0.00 6.77 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.01 4.09 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 0.00 120 W 8.49 4.37 0.00 3.57 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 6.73 4.18 0.00 1.16 0.74 0.00 0.96 0.00 0.00 0.68 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.73 7.81 122 S 7.83 4.22 0.00 4.16 4.11 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 0.00 0.00 0.00 0.00 123 T 7.65 5.14 4.21 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 1.24 0.00 0.00 124 L 9.08 4.69 0.00 1.83 1.77 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.73 4.33 1.89 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 0.53 0.00 0.00 0.66 0.00 0.00 126 G 6.64 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 0.00 0.00 0.00 127 H 8.25 5.46 0.00 3.19 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.40 4.93 0.00 3.20 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 0.00 129 T 8.46 5.17 4.29 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 1.35 0.00 0.00 130 F 9.78 5.48 0.00 3.11 3.17 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 0.00 131 T 9.82 5.41 4.38 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 1.37 0.00 0.00 132 K 8.78 3.61 0.00 1.56 1.56 0.00 1.34 0.00 0.00 0.92 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 1.01 7.81 133 V 7.67 3.94 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 0.72 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.