NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2513 8.3449 119.6835 55.2108 30.0412 174.8862 4 P 4.4561 0.0000 0.0000 61.3239 33.1786 174.1221 5 I 3.9982 8.9285 123.0395 61.0656 38.5657 175.0807 6 V 4.5394 8.3377 127.5588 61.3887 33.0013 174.7173 7 I 4.4590 8.6279 129.3582 59.8972 39.5843 174.1656 8 H 5.1682 8.9407 124.6532 54.4163 29.8873 174.3879 9 S 5.0275 9.1982 119.2081 56.6757 63.9828 174.1179 10 S 4.3360 8.8739 121.6338 60.1792 64.4752 176.0341 *12 K 4.1778 7.9627 120.4978 53.5746 32.9537 180.8237 13 N 4.8901 8.3046 112.6446 52.0120 43.8204 174.1375 14 Y 4.5267 8.0459 116.1437 59.3608 38.6434 177.2351 15 G 4.3787 9.4623 108.2183 44.9685 0.0000 172.2559 16 F 5.6885 7.7027 112.2719 55.5030 41.5607 173.2112 17 T 4.9145 9.2403 108.9604 59.8174 71.9161 172.8929 18 I 5.3371 8.4886 115.5871 59.4816 40.7867 174.7279 19 R 4.7481 8.9896 121.2855 54.2699 34.4297 174.4954 20 A 4.7287 8.5254 124.2907 51.8445 19.4969 176.7143 21 I 4.7141 8.7981 114.4361 59.1222 41.7453 174.3096 22 R 5.0425 8.5340 120.8517 54.3542 33.3405 175.2151 23 V 4.5034 8.8556 123.5516 61.5302 33.7090 173.9443 24 Y 5.0827 8.9436 125.6982 56.9694 39.9542 175.1777 25 V 4.0566 8.5399 122.8664 62.0244 32.8374 175.5731 26 G 3.7723 8.8378 117.5471 47.4529 0.0000 173.1361 27 D 4.6696 8.7303 124.5124 53.9356 41.2052 176.4116 28 S 4.5875 7.7359 113.0062 58.0004 64.1406 173.5591 29 D 4.9721 8.5501 118.0549 54.5781 41.0123 176.4566 30 I 4.4025 7.7261 122.1199 60.5790 38.4937 174.5938 31 Y 5.2559 7.7815 123.6919 55.4843 41.4349 174.1173 32 T 4.6230 8.6959 109.5743 59.8951 72.1095 172.9441 33 V 4.8235 8.0713 122.3802 61.7997 33.6619 174.2140 34 H 4.9403 8.7840 122.9338 54.8597 34.2735 171.5977 35 H 5.2847 8.7188 115.6844 54.1526 31.7492 172.9422 36 I 4.9301 8.7765 123.7093 58.8359 41.4161 174.5986 37 V 4.1302 8.8952 129.1433 63.1464 31.7042 176.1394 38 W 4.6104 9.6703 135.0000 59.5792 31.5732 175.9294 39 N 5.0136 8.2540 116.5100 51.8687 42.5373 173.3379 40 V 4.9393 8.2176 123.6712 60.8957 34.2598 174.8669 41 E 4.2190 9.2408 128.9753 56.1619 30.4202 176.8671 42 E 4.1233 8.7633 124.3919 57.7794 30.0778 177.5833 43 G 3.9707 8.9590 111.3758 45.6967 0.0000 174.2205 44 S 4.5449 7.6375 114.9015 56.9750 65.5004 173.1226 45 P 4.2601 0.0000 0.0000 65.9995 31.1221 178.8133 46 A 4.0070 8.4442 119.5479 55.1488 18.1387 179.2919 47 C 4.0499 8.1655 117.2360 62.8112 31.4752 175.8263 48 Q 4.0053 8.1796 118.4158 58.9174 28.4036 178.3712 49 A 4.2106 8.0127 120.2492 53.2824 18.4688 178.4088 50 G 3.8560 7.4985 105.3061 44.9733 0.0000 173.5562 51 L 4.0125 7.3768 121.2047 54.6163 42.7826 176.5275 52 K 4.5550 8.8787 123.7761 53.8878 35.5837 175.7991 53 A 4.3293 8.4919 125.4573 54.2171 18.6099 177.7851 54 G 4.1587 9.1603 111.5076 45.1540 0.0000 173.8517 55 D 4.5547 8.0007 120.7264 54.4351 41.9893 175.6692 56 L 4.7332 8.4213 123.5945 54.2004 43.3026 175.8072 57 I 4.6981 8.5977 125.3467 60.7270 37.7326 175.7213 58 T 4.5250 9.2394 116.7962 62.6458 71.4066 173.9298 59 H 5.3490 7.9971 117.2757 54.3004 33.8407 172.6782 60 I 4.7675 8.6439 122.1182 60.7567 39.5020 175.7418 61 N 4.2256 10.3918 124.0699 54.1759 36.6211 175.7163 62 G 3.9663 8.5103 106.0378 45.3301 0.0000 174.0618 63 E 4.3668 8.1191 120.8261 54.6194 30.3138 174.4538 64 P 4.5252 0.0000 0.0000 62.8464 32.1645 176.7673 65 V 4.0634 8.3655 114.2765 61.3048 32.2343 175.7896 66 H 4.2579 7.9614 120.4480 57.7079 29.9075 175.4310 67 G 3.8496 8.5222 113.9946 45.4185 0.0000 173.4248 68 L 4.4880 7.5215 119.5586 54.1172 42.8104 177.7477 69 V 4.0897 8.9436 116.2307 60.4244 33.9050 177.0504 70 H 4.1009 8.8757 119.6481 60.2416 29.5306 177.2785 71 T 3.8180 7.9276 110.5133 64.7350 68.5610 176.0910 72 E 3.9500 8.0588 121.1061 59.1180 29.5816 179.2352 73 V 3.5079 7.6762 118.2555 65.9711 31.5598 177.9683 74 I 3.6106 7.7059 119.6192 64.5299 36.9539 177.9277 75 E 3.9082 8.2203 119.8802 59.2189 29.1779 178.8235 76 L 4.0086 7.5674 118.1238 57.9221 41.4990 179.2632 77 L 4.2616 7.9616 118.8157 57.6723 41.2462 179.5886 78 L 4.0970 8.2135 119.5541 57.3280 41.4322 178.9004 79 K 4.1195 7.9246 116.1804 58.2588 32.9099 178.5953 80 S 4.2852 7.6350 113.9979 57.7518 62.6017 175.5409 81 G 3.8837 8.3857 110.9012 45.3489 0.0000 173.3707 82 N 4.8388 9.5646 118.5732 54.0017 41.5191 175.2860 83 K 5.2688 8.1339 118.2224 54.4891 34.7235 175.6552 84 V 4.6684 8.4756 125.2643 59.9964 35.3606 173.8463 85 S 5.0974 9.4116 117.7920 56.6254 64.9610 172.5963 86 I 4.8332 8.9108 127.8310 59.8504 40.1665 174.5355 87 T 4.9796 8.8368 124.9799 62.7303 69.8429 174.2631 88 T 5.1938 9.2671 116.2589 60.2384 72.2016 172.9542 89 T 4.7718 8.7065 115.6200 59.5441 71.3818 171.5105 90 P 4.4771 0.0000 0.0000 62.9519 32.0318 177.1778 91 F 4.9209 8.2985 125.6034 55.3161 37.7494 173.9099 92 E 4.6837 7.6919 120.9794 54.7985 31.6973 176.2029 93 N 4.3993 8.8829 118.6829 54.2200 39.1500 174.3511 94 T 4.5275 8.5399 113.5780 61.3183 69.9205 173.5288 95 E 4.5845 8.2384 121.7781 55.2630 31.4030 174.9457 96 T 4.5296 8.2006 115.3680 60.2404 69.2516 174.1960 97 S 4.6483 8.4524 122.9700 57.4582 64.7945 174.4793 98 V 4.0049 8.0919 113.4564 61.6543 31.8819 175.8211 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 Q 8.34 4.25 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 4 P 0.00 4.46 0.00 1.98 1.95 0.00 3.64 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 1.98 2.14 0.00 5 I 8.93 4.00 1.83 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 1.15 0.80 0.82 0.00 0.00 6 V 8.34 4.54 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 0.65 0.00 0.00 0.89 0.00 0.00 7 I 8.63 4.46 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 1.05 0.00 0.00 8 H 8.94 5.17 0.00 3.07 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.20 5.03 0.00 4.04 4.05 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 10 S 8.87 4.34 0.00 4.02 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 *12 K 7.96 4.18 0.00 1.82 1.57 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 13 N 8.30 4.89 0.00 2.57 2.62 0.00 0.00 6.85 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 14 Y 8.05 4.53 0.00 3.21 3.19 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 15 G 9.46 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 16 F 7.70 5.69 0.00 3.25 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 17 T 9.24 4.91 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 1.28 0.00 0.00 18 I 8.49 5.34 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 1.21 0.00 0.00 19 R 8.99 4.75 0.00 1.61 1.56 0.00 2.21 0.00 0.00 2.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.38 0.00 20 A 8.53 4.73 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 21 I 8.80 4.71 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.93 0.00 0.00 22 R 8.53 5.04 0.00 1.54 1.22 0.00 2.70 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.35 0.00 23 V 8.86 4.50 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 1.18 0.00 0.00 1.13 0.00 0.00 24 Y 8.94 5.08 0.00 2.92 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 25 V 8.54 4.06 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 0.98 0.00 0.00 0.98 0.00 0.00 26 G 8.84 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 27 D 8.73 4.67 0.00 2.64 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 28 S 7.74 4.59 0.00 4.12 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 29 D 8.55 4.97 0.00 2.79 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 30 I 7.73 4.40 1.91 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 1.26 1.22 0.83 0.00 0.00 31 Y 7.78 5.26 0.00 2.36 1.43 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 32 T 8.70 4.62 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 1.19 0.00 0.00 33 V 8.07 4.82 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 0.75 0.00 0.00 1.07 0.00 0.00 34 H 8.78 4.94 0.00 2.92 3.00 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.72 5.28 0.00 3.06 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.78 4.93 1.88 0.00 0.00 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 1.29 1.66 1.23 0.00 0.00 37 V 8.90 4.13 2.24 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 0.86 0.00 0.00 0.91 0.00 0.00 38 W 9.67 4.61 0.00 3.44 3.20 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 39 N 8.25 5.01 0.00 2.95 2.69 0.00 0.00 6.64 7.59 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 40 V 8.22 4.94 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 0.91 0.00 0.00 0.98 0.00 0.00 41 E 9.24 4.22 0.00 2.02 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 2.38 2.48 0.00 42 E 8.76 4.12 0.00 1.97 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 2.32 2.31 0.00 43 G 8.96 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 44 S 7.64 4.54 0.00 4.28 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 45 P 0.00 4.26 0.00 2.48 2.54 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 46 A 8.44 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.17 4.05 0.00 3.23 3.22 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 48 Q 8.18 4.01 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 49 A 8.01 4.21 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 50 G 7.50 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 0.00 0.00 0.00 51 L 7.38 4.01 0.00 1.42 1.50 0.65 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.88 4.55 0.00 1.94 1.59 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.46 7.81 53 A 8.49 4.33 1.17 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 54 G 9.16 4.16 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 0.00 55 D 8.00 4.55 0.00 2.71 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 56 L 8.42 4.73 0.00 1.60 1.49 0.54 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.60 4.70 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.54 0.95 0.00 0.00 58 T 9.24 4.52 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 59 H 8.00 5.35 0.00 3.09 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.64 4.77 1.88 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 1.33 0.82 0.92 0.00 0.00 61 N 10.39 4.23 0.00 2.79 2.87 0.00 0.00 7.21 8.20 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 62 G 8.51 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 63 E 8.12 4.37 0.00 2.18 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 0.00 2.31 2.28 0.00 64 P 0.00 4.53 0.00 2.02 1.88 0.00 3.68 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 2.04 2.16 0.00 65 V 8.37 4.06 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 0.74 0.00 0.00 1.02 0.00 0.00 66 H 7.96 4.26 0.00 3.09 3.21 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.52 3.85 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 0.00 0.00 0.00 68 L 7.52 4.49 0.00 1.71 1.57 0.89 0.76 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 69 V 8.94 4.09 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 1.03 0.00 0.00 70 H 8.88 4.10 0.00 3.25 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.93 3.82 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 1.23 0.00 0.00 72 E 8.06 3.95 0.00 2.17 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 2.39 2.35 0.00 73 V 7.68 3.51 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 0.98 0.00 0.00 0.68 0.00 0.00 74 I 7.71 3.61 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.85 0.00 0.00 75 E 8.22 3.91 0.00 2.22 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 0.00 2.30 2.39 0.00 76 L 7.57 4.01 0.00 1.87 1.73 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.96 4.26 0.00 1.89 1.84 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.21 4.10 0.00 1.82 1.69 0.89 0.64 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 79 K 7.92 4.12 0.00 1.94 1.94 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.46 7.81 80 S 7.63 4.29 0.00 4.17 4.28 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 81 G 8.39 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 82 N 9.56 4.84 0.00 2.70 2.91 0.00 0.00 6.25 7.68 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 83 K 8.13 5.27 0.00 1.77 1.67 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.32 7.81 84 V 8.48 4.67 1.77 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 0.07 0.00 0.00 0.90 0.00 0.00 85 S 9.41 5.10 0.00 3.81 3.69 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 86 I 8.91 4.83 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.37 0.85 0.00 0.00 87 T 8.84 4.98 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 1.26 0.00 0.00 88 T 9.27 5.19 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 1.15 0.00 0.00 89 T 8.71 4.77 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 1.22 0.00 0.00 90 P 0.00 4.48 0.00 2.12 2.00 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 91 F 8.30 4.92 0.00 2.96 2.92 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 0.00 0.00 0.00 92 E 7.69 4.68 0.00 2.03 1.83 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 2.10 2.19 0.00 93 N 8.88 4.40 0.00 2.70 2.78 0.00 0.00 6.77 7.70 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 94 T 8.54 4.53 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 1.31 0.00 0.00 95 E 8.24 4.58 0.00 2.13 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 2.28 2.24 0.00 96 T 8.20 4.53 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 97 S 8.45 4.65 0.00 4.02 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 98 V 8.09 4.00 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 0.73 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.