NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1879 8.2993 121.7895 53.5844 34.3646 175.6626 4 V 5.5790 7.6223 135.0000 60.5785 32.3220 168.3982 5 C 3.8844 8.5261 126.9600 59.8503 33.0272 175.6646 6 E 4.3891 9.5306 125.6115 57.3656 29.6628 177.3016 7 I 4.2106 7.5167 118.8028 63.1571 38.2719 177.2382 8 S 4.0074 7.8436 114.1028 59.1910 63.3386 175.3638 9 G 4.2302 8.2427 107.5567 45.4296 0.0000 173.5584 10 K 4.1197 7.3466 118.4832 56.8713 32.5547 175.6750 11 R 4.9124 7.8599 115.8856 54.4278 32.2175 172.5698 12 P 4.6626 0.0000 0.0000 63.1859 31.7925 175.8659 13 I 4.4443 8.4765 116.8463 59.4012 40.6080 174.3497 14 V 4.7793 7.9850 121.7990 61.6708 33.6337 174.3231 15 A 4.6115 9.3790 126.6986 51.3082 22.9502 175.0226 16 N 5.4038 8.6819 116.7316 51.7960 41.1550 174.7456 17 S 4.7263 8.8064 116.5338 56.7020 65.3553 173.0294 18 I 4.2482 8.4083 125.9805 60.5688 38.2075 175.7591 19 Q 4.4816 9.4636 127.0099 54.5002 29.7496 175.4978 20 R 5.1077 8.2434 123.0335 55.5905 32.4934 175.4434 21 R 4.5044 9.2549 117.8525 56.1164 35.1780 175.2677 22 G 4.1201 8.9888 106.7337 44.8387 0.0000 172.4742 23 K 4.3563 8.3027 118.7188 53.9199 33.6125 175.1225 24 A 4.1437 8.5856 129.2202 52.7331 18.6866 177.4990 25 K 4.4520 8.4671 118.4739 57.3466 33.0373 177.7518 26 R 4.2815 7.7907 119.3086 57.7375 31.4223 176.3340 27 E 4.7098 7.2365 116.0606 56.1854 29.9969 177.2872 28 G 4.0393 9.1502 115.0789 50.7671 0.0000 170.9669 29 G 3.8035 7.8480 105.7132 45.2288 0.0000 175.2992 30 V 3.4300 8.7495 112.7731 61.1622 29.7716 171.8768 31 G 3.8769 8.5253 104.4591 44.1971 0.0000 172.2663 32 K 4.5664 8.0091 118.4174 54.9079 35.0948 176.1440 33 K 4.5760 9.0459 126.7025 55.3047 35.3803 175.3911 34 T 4.9351 8.1523 117.1476 62.4730 69.9582 174.2659 35 T 4.0844 9.7832 124.3834 64.7153 68.1898 175.1783 36 G 4.2200 7.8833 106.5754 44.7640 0.0000 172.2960 37 I 5.1311 8.3347 123.9849 61.1732 37.7067 175.4058 38 S 4.7459 8.7661 120.2423 58.0360 62.4494 170.6837 39 K 4.7801 8.4134 122.5641 56.7804 33.1309 175.8067 40 R 4.5578 8.5225 118.4175 55.9521 33.1997 173.1655 41 R 4.8023 8.3237 114.5941 54.4638 32.6775 174.5740 42 Q 4.4066 8.5334 120.1159 54.9029 30.5978 174.8534 43 Y 4.9809 8.3967 120.9684 56.1915 40.5281 173.0250 44 P 4.7376 0.0000 0.0000 60.5776 32.7599 177.8655 45 N 4.8272 8.6388 127.6809 52.5321 37.5061 174.3433 46 L 4.5313 7.9203 117.5097 56.9685 41.7489 175.9916 47 Q 4.6098 10.0210 117.8374 55.2428 33.9607 173.4340 48 K 4.9343 8.4397 118.8449 55.2107 33.9630 178.0031 49 V 4.3613 8.1090 122.9856 61.9277 33.2369 173.2597 50 R 4.4490 8.4876 125.9050 55.7746 31.2917 177.1318 51 V 4.0841 8.7047 123.3295 63.3196 33.0600 176.2748 52 R 2.9282 8.4821 116.9092 56.8824 31.9884 176.2196 53 V 3.2941 9.2096 117.9317 62.2579 34.5881 173.8082 54 A 3.6752 8.9266 127.2962 53.2618 17.9442 178.8159 55 G 4.1777 9.0507 108.8847 45.6577 0.0000 173.3863 56 Q 4.4714 7.6220 122.0289 55.4703 29.3073 173.3203 57 E 4.4299 8.0346 115.4014 55.4170 32.7704 173.4923 58 I 2.8653 7.4676 120.3002 61.0433 38.8553 173.2961 59 T 5.2161 7.7760 117.2033 59.6744 71.7498 173.2187 60 F 4.6877 8.2039 117.9410 56.6359 43.8001 174.9098 61 R 4.9594 8.7841 123.3537 54.5520 28.5462 175.2051 62 V 4.7641 8.4601 121.4380 59.3657 35.5771 175.3092 63 A 4.4642 8.4768 123.0952 51.0371 19.6708 178.4173 64 A 4.0134 8.3716 124.6129 55.0736 18.8381 179.8348 65 S 4.2523 8.2592 109.7567 61.6518 62.9744 175.0702 66 H 4.7475 8.3412 116.9924 55.3134 28.9577 176.9554 67 I 3.7097 7.9328 123.4342 64.0127 36.5590 176.0375 68 P 4.3040 0.0000 0.0000 66.1705 30.6855 177.9698 69 K 3.6215 7.7434 118.3547 59.5215 31.8779 178.3392 70 V 3.1678 7.7545 118.7565 65.7273 31.2135 177.0921 71 Y 4.1368 7.2781 115.4923 59.6081 37.9751 177.1679 72 E 4.4244 7.6434 119.3929 56.6411 30.5801 177.2767 73 L 4.1612 8.2832 119.4925 58.0183 41.8758 179.0905 74 V 3.5101 7.7736 116.5540 65.7453 30.8639 175.6418 75 E 3.9939 7.8319 124.1678 57.9126 29.6833 178.1396 76 R 3.9141 8.1405 117.6485 57.5679 30.1857 178.7905 77 A 4.7402 9.4460 122.2194 53.0540 20.1268 179.3858 78 K 4.1117 8.3171 117.9458 57.0270 32.2879 182.9825 79 G 4.1378 7.2432 108.7533 44.6655 0.0000 172.7258 80 L 4.7403 7.4245 118.6268 53.8610 46.7699 178.3712 81 K 4.4086 8.4400 124.7234 53.7324 30.6922 177.1850 82 L 4.6158 7.4364 121.4451 53.1743 42.9353 177.0592 83 E 4.3401 8.7140 126.4559 54.7242 32.6248 170.8111 84 G 3.9788 8.9386 113.4559 44.5111 0.0000 174.2694 85 L 4.3631 8.2951 123.3422 55.0169 39.6544 177.3940 86 S 4.6842 7.6344 119.2200 54.8851 63.6491 173.7500 87 P 4.1310 0.0000 0.0000 66.7492 31.1791 178.1992 88 K 3.7559 8.1501 118.9802 59.0883 31.8820 177.7010 89 E 4.2003 7.8743 117.3536 57.9968 30.1524 178.0118 90 I 3.6397 8.3167 120.8458 64.4627 37.0021 177.9649 91 K 3.8637 7.8160 119.0118 60.2149 32.0738 177.7991 92 K 3.6916 7.4221 117.4265 60.5202 31.9936 177.7885 93 E 4.1187 8.3702 121.9282 58.1895 30.4207 178.4954 94 L 4.2454 7.5296 121.8991 54.7848 40.8283 177.3149 95 L 3.7807 7.8164 129.1587 56.7591 42.6098 174.4231 *96 K 4.1330 7.9157 122.2331 54.7362 32.3453 177.1132 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 3 K 8.30 4.19 0.00 1.70 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 4 V 7.62 5.58 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 0.63 0.00 0.00 0.97 0.00 0.00 5 C 8.53 3.88 0.00 3.07 2.87 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 6 E 9.53 4.39 0.00 2.04 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 2.33 2.48 0.00 7 I 7.52 4.21 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.38 0.92 0.00 0.00 8 S 7.84 4.01 0.00 3.67 3.16 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 9 G 8.24 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 0.00 0.00 0.00 0.00 10 K 7.35 4.12 0.00 1.88 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.34 7.81 11 R 7.86 4.91 0.00 1.80 1.89 0.00 3.05 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 12 P 0.00 4.66 0.00 2.02 2.24 0.00 3.83 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 2.03 2.12 0.00 13 I 8.48 4.44 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 1.18 0.77 0.89 0.00 0.00 14 V 7.98 4.78 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 0.78 0.00 0.00 0.89 0.00 0.00 15 A 9.38 4.61 1.14 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 16 N 8.68 5.40 0.00 2.60 2.80 0.00 0.00 6.77 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 17 S 8.81 4.73 0.00 3.84 3.95 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 18 I 8.41 4.25 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 1.34 0.43 0.91 0.00 0.00 19 Q 9.46 4.48 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 20 R 8.24 5.11 0.00 1.69 1.95 0.00 3.23 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 21 R 9.25 4.50 0.00 1.68 1.76 0.00 3.08 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 22 G 8.99 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 23 K 8.30 4.36 0.00 1.78 1.83 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.40 7.81 24 A 8.59 4.14 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 25 K 8.47 4.45 0.00 1.87 1.92 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.42 7.81 26 R 7.79 4.28 0.00 1.79 1.98 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 27 E 7.24 4.71 0.00 2.08 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 2.22 2.20 0.00 28 G 9.15 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 29 G 7.85 3.80 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 0.00 0.00 0.00 30 V 8.75 3.43 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 0.67 0.00 0.00 0.93 0.00 0.00 31 G 8.53 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 32 K 8.01 4.57 0.00 1.71 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.46 7.81 33 K 9.05 4.58 0.00 1.70 1.70 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.54 7.81 34 T 8.15 4.94 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 1.27 0.00 0.00 35 T 9.78 4.08 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 1.29 0.00 0.00 36 G 7.88 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 0.00 0.00 0.00 0.00 37 I 8.33 5.13 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 1.09 1.60 0.90 0.00 0.00 38 S 8.77 4.75 0.00 4.06 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 0.00 39 K 8.41 4.78 0.00 1.65 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.42 7.81 40 R 8.52 4.56 0.00 1.79 1.98 0.00 2.73 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 41 R 8.32 4.80 0.00 1.25 1.83 0.00 3.02 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 42 Q 8.53 4.41 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 43 Y 8.40 4.98 0.00 2.87 2.85 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 0.00 0.00 0.00 0.00 44 P 0.00 4.74 0.00 1.98 2.02 0.00 3.84 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 2.05 2.22 0.00 45 N 8.64 4.83 0.00 2.84 2.80 0.00 0.00 6.94 6.66 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 46 L 7.92 4.53 0.00 1.79 1.71 1.07 0.54 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 47 Q 10.02 4.61 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 48 K 8.44 4.93 0.00 1.64 1.75 0.00 1.68 0.00 0.00 1.06 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.33 7.81 49 V 8.11 4.36 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 0.76 0.00 0.00 1.02 0.00 0.00 50 R 8.49 4.45 0.00 1.78 2.00 0.00 3.29 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 51 V 8.70 4.08 1.94 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 0.77 0.00 0.00 0.90 0.00 0.00 52 R 8.48 2.93 0.00 2.01 1.86 0.00 2.83 0.00 0.00 3.87 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 53 V 9.21 3.29 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 0.95 0.00 0.00 0.98 0.00 0.00 54 A 8.93 3.68 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 55 G 9.05 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 0.00 0.00 0.00 0.00 56 Q 7.62 4.47 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 57 E 8.03 4.43 0.00 1.87 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 2.15 2.25 0.00 58 I 7.47 2.87 1.72 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 0.88 0.00 0.00 59 T 7.78 5.22 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 1.17 0.00 0.00 60 F 8.20 4.69 0.00 2.95 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 61 R 8.78 4.96 0.00 1.94 1.90 0.00 3.07 0.00 0.00 3.39 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 62 V 8.46 4.76 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 63 A 8.48 4.46 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 64 A 8.37 4.01 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 65 S 8.26 4.25 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.34 4.75 0.00 3.26 3.33 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.93 3.71 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.75 1.03 0.00 0.00 68 P 0.00 4.30 0.00 2.25 2.33 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 69 K 7.74 3.62 0.00 1.89 1.96 0.00 1.50 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 70 V 7.75 3.17 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 0.10 0.00 0.00 0.05 0.00 0.00 71 Y 7.28 4.14 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 7.64 4.42 0.00 2.08 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 2.25 2.47 0.00 73 L 8.28 4.16 0.00 1.70 1.66 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.77 3.51 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 0.80 0.00 0.00 0.90 0.00 0.00 75 E 7.83 3.99 0.00 2.21 1.75 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 2.31 2.31 0.00 76 R 8.14 3.91 0.00 1.87 1.84 0.00 3.26 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 77 A 9.45 4.74 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 78 K 8.32 4.11 0.00 1.79 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.02 7.81 79 G 7.24 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 80 L 7.42 4.74 0.00 1.89 1.52 0.93 0.90 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 81 K 8.44 4.41 0.00 1.75 1.61 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.97 7.81 82 L 7.44 4.62 0.00 1.65 1.49 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.71 4.34 0.00 1.85 1.71 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 2.18 2.34 0.00 84 G 8.94 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 85 L 8.30 4.36 0.00 1.64 1.65 0.92 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 86 S 7.63 4.68 0.00 3.92 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 87 P 0.00 4.13 0.00 2.23 2.33 0.00 3.70 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 2.04 2.00 0.00 88 K 8.15 3.76 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.48 7.81 89 E 7.87 4.20 0.00 2.15 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 2.33 2.37 0.00 90 I 8.32 3.64 1.99 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 1.58 1.40 0.92 0.00 0.00 91 K 7.82 3.86 0.00 1.60 1.75 0.00 1.39 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.26 7.81 92 K 7.42 3.69 0.00 1.66 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.55 7.81 93 E 8.37 4.12 0.00 2.02 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 2.35 2.47 0.00 94 L 7.53 4.25 0.00 1.96 1.78 1.04 0.83 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 95 L 7.82 3.78 0.00 1.83 1.79 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.92 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.