NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.6349 8.4444 120.3880 54.6250 31.4153 173.5487 -1 S 4.4029 8.2931 112.2163 56.4417 65.7606 171.1722 0 H 4.6238 8.2090 121.2707 54.6675 32.1815 170.5365 0 A 4.2138 8.0290 126.8707 52.1675 22.2815 174.2365 3 V 3.8597 8.1773 108.4293 61.2182 32.4618 176.5686 4 A 3.8794 8.7541 127.5213 54.4152 18.6296 176.3106 5 D 4.1825 8.2158 116.1927 54.3032 39.0979 173.1933 6 L 3.8952 8.4226 125.4130 57.6791 41.9928 179.7700 7 A 3.9744 8.2756 119.9683 55.0196 18.2439 177.8560 8 L 4.4564 7.9929 113.0938 54.6146 41.7590 176.1302 9 I 4.3274 7.7036 121.6878 58.5132 37.8259 174.0184 10 P 4.3165 0.0000 0.0000 63.2071 31.6081 177.0130 11 D 4.5192 8.7611 121.8776 56.6957 42.0508 176.3226 12 V 4.8329 7.2558 114.2666 61.2998 34.9142 175.3022 13 D 4.7743 9.1802 127.6470 53.0618 43.0156 173.5504 14 I 5.5916 7.9614 116.9846 57.2882 41.1673 174.8472 15 D 4.6697 7.6842 122.6521 54.1164 40.9688 177.1083 16 S 4.2739 8.7250 114.6570 61.0818 63.4847 173.6144 17 D 4.5786 8.0153 117.5276 54.3538 43.8375 175.4999 18 G 3.8873 9.1011 112.0332 44.7136 0.0000 172.0854 19 V 5.1151 8.0202 117.5245 60.8837 33.3401 175.2737 20 F 4.7898 7.3400 119.0784 56.0998 40.6723 172.7351 21 K 4.8537 8.4674 119.0581 56.1836 33.4641 175.7301 22 Y 5.0109 8.9539 120.7627 55.5943 42.3092 174.3775 23 V 4.1989 8.3434 112.2317 59.4288 36.7625 174.1224 24 L 4.8500 8.3717 126.7761 54.0933 43.5392 175.3445 25 I 4.9466 8.8594 126.7495 59.4706 41.3258 174.2385 26 R 4.9891 9.0108 126.6310 54.6876 32.0824 175.2291 27 V 4.9518 8.5770 125.7885 59.0936 34.0231 173.9826 28 H 4.9176 8.8581 126.1917 54.5264 30.7123 175.0525 29 S 4.2169 9.0911 119.8959 58.5405 63.0657 174.5510 30 A 4.1255 8.3441 120.0722 53.1432 17.4845 177.2184 *40 S 4.1849 7.9075 112.5973 59.0470 63.2386 172.9183 41 K 4.7700 8.3085 125.3809 55.1493 36.3772 174.4507 42 E 5.3071 8.6790 119.9847 54.6738 31.3488 175.6751 43 I 4.7697 8.8657 117.5363 59.0647 41.4522 174.5594 44 V 4.7564 8.8705 125.3821 61.6844 33.2298 174.5275 45 R 4.8973 8.7293 127.8308 54.2535 33.0764 175.5403 46 G 4.4318 8.2011 111.1830 44.6367 0.0000 170.8352 47 Y 5.0341 7.9096 122.1574 55.8417 41.6941 177.0952 48 K 4.0602 9.7311 123.6374 59.0191 32.4130 178.9288 49 W 4.1855 8.0699 114.7796 58.7343 28.1755 175.5252 50 A 3.6170 6.4548 121.3727 52.1569 17.2523 176.6996 51 E 3.9595 8.7595 124.0558 59.0987 30.4963 176.4289 52 Y 4.9570 7.4587 114.2716 55.3359 42.4123 175.6419 53 H 4.1601 9.2010 119.0511 59.1298 28.7802 177.9147 54 A 4.4300 8.3467 122.1239 55.2841 18.0508 179.1302 55 D 4.5647 8.1964 117.1574 57.9201 40.9034 178.9027 56 I 3.9040 7.8045 119.5949 64.5194 37.1217 177.3804 57 Y 4.1274 8.1305 119.6715 61.2496 38.7961 178.1564 58 D 4.3699 8.8149 119.9065 57.2919 40.8854 179.0174 59 K 3.9707 8.0541 120.3469 59.3901 32.1538 179.2711 60 V 4.1869 8.1129 119.8176 64.5129 31.4301 178.0547 61 S 4.1470 7.7948 114.6349 60.5227 63.0072 176.2142 62 G 3.8357 7.7791 109.1493 47.3152 0.0000 177.0085 63 D 4.8679 7.9650 122.7610 53.0172 39.5844 177.9171 *65 Q 4.3894 8.0690 122.1682 57.2311 30.8768 176.8174 66 K 4.1177 7.7904 115.7486 58.5441 32.1568 177.5954 67 Q 4.4375 7.5352 116.6741 55.0741 29.3473 175.9362 68 G 3.9334 7.9462 103.8910 46.5080 0.0000 174.7970 69 C 4.6857 7.2917 114.5473 58.0437 32.7017 173.6341 70 D 4.7871 8.5717 123.9866 54.0541 42.4474 174.6188 71 C 5.8215 8.3929 119.9308 57.2981 32.6027 172.9871 72 E 5.0541 8.6270 118.3440 53.9487 34.4998 174.3392 73 C 4.2907 8.0903 122.4545 57.2634 32.5280 173.3603 74 L 4.1129 8.0011 125.3307 55.2964 41.5001 177.3181 75 G 3.7472 8.8939 106.1190 44.9241 0.0000 172.5470 76 G 3.7831 7.5408 103.9230 45.7624 0.0000 171.8622 77 G 4.5397 8.0713 107.9633 46.7722 0.0000 173.3191 78 R 5.0589 8.6199 122.4333 54.2992 34.9071 174.2942 79 I 4.4269 8.1025 122.8301 59.3769 40.4970 174.6777 80 S 4.5727 8.8443 121.9979 57.1609 63.8588 172.2904 81 H 5.1293 9.2302 129.6941 55.1121 30.2744 172.9292 82 Q 4.5347 8.8105 126.5834 54.1204 27.7437 176.7031 83 S 4.1920 9.1258 118.5790 61.2093 63.4858 177.4626 84 Q 4.2065 8.1417 120.5454 57.9884 28.7237 176.4349 85 D 4.7241 7.6671 114.6153 53.0067 42.7383 175.8224 86 K 2.4800 8.1983 118.0402 57.0202 30.1522 174.7225 87 K 5.0963 8.0948 116.6574 54.7748 37.2570 177.5610 88 I 5.0279 8.7823 123.9310 59.9971 41.2588 173.5911 89 H 5.2433 9.1337 127.6147 54.3738 32.3103 172.5000 90 V 4.5010 8.7953 127.0576 61.8347 33.3690 174.4369 91 Y 5.4873 7.7291 124.9733 57.9555 41.2650 174.9084 92 G 4.0858 9.3583 109.9514 45.3039 0.0000 171.9466 93 Y 5.1735 7.0984 114.4496 53.9229 41.5017 175.8259 94 S 4.1675 8.3646 116.1662 57.3101 64.3561 173.9464 *96 A 4.1934 8.4524 119.0514 51.9676 19.9120 177.2237 97 Y 4.4852 7.5089 110.0470 57.1187 39.0189 176.7396 98 G 3.8912 8.5572 110.4469 43.8743 0.0000 171.1269 99 P 4.9970 0.0000 0.0000 62.0192 32.4361 175.1742 100 A 4.6480 7.9593 121.9795 50.3719 21.0990 178.0044 101 Q 3.8264 8.1492 119.9454 56.0562 28.2837 177.2204 102 H 4.2579 7.6374 121.9501 57.0604 28.7993 177.0614 103 A 3.4825 6.5730 123.4196 54.9810 18.1709 179.5969 104 I 3.8086 7.4549 118.3363 64.4154 37.0813 178.9694 105 S 4.1810 7.7316 115.7828 61.9152 62.9159 176.6367 106 T 3.9827 8.0482 112.6861 64.7326 68.1020 175.8073 107 E 3.9683 7.8958 121.4034 59.0544 29.8890 178.8770 108 K 4.1037 7.7153 118.3593 59.6385 32.2595 179.1590 109 I 3.7825 8.1296 120.4463 64.7164 36.5763 178.3460 110 K 4.0125 8.7929 120.2565 59.2886 31.7618 178.7309 111 A 4.0110 7.7175 120.5324 55.0479 18.4042 179.1791 112 K 3.8661 7.8307 116.2145 57.8340 33.9386 176.4546 113 Y 4.6939 7.6493 115.9541 55.6024 38.0572 174.2326 114 P 4.4588 0.0000 0.0000 65.2558 32.0644 178.0542 115 D 4.6876 8.2612 114.0346 55.4429 41.0415 175.4429 116 Y 4.7458 7.9022 117.6809 56.5601 39.9619 175.1055 117 E 4.3074 8.7447 124.5530 55.6341 30.8057 175.3090 118 V 4.9416 8.5557 128.1000 61.5328 33.3651 174.4515 119 T 5.0744 8.7738 117.8295 59.7713 72.5678 172.4722 120 W 6.1243 8.3118 117.2516 55.0376 31.9989 174.6773 121 A 4.1919 8.7707 120.6850 52.8520 18.6631 176.3524 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 H 8.44 4.63 0.00 3.06 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 S 8.29 4.40 0.00 3.78 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 H 8.21 4.62 0.00 3.12 3.10 0.00 5.78 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 0 A 8.03 4.21 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 3 V 8.18 3.86 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 0.71 0.00 0.00 0.93 0.00 0.00 4 A 8.75 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 5 D 8.22 4.18 0.00 2.88 2.63 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 0.00 0.00 0.00 0.00 6 L 8.42 3.90 0.00 1.74 1.74 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.28 3.97 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 8 L 7.99 4.46 0.00 1.65 1.69 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.70 4.33 1.97 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 1.36 0.72 0.93 0.00 0.00 10 P 0.00 4.32 0.00 2.38 2.20 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 11 D 8.76 4.52 0.00 2.61 2.75 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 12 V 7.26 4.83 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 0.82 0.00 0.00 0.97 0.00 0.00 13 D 9.18 4.77 0.00 2.88 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 14 I 7.96 5.59 2.13 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 1.52 0.93 1.01 0.00 0.00 15 D 7.68 4.67 0.00 1.73 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 16 S 8.72 4.27 0.00 4.00 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 17 D 8.02 4.58 0.00 2.58 2.54 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 18 G 9.10 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 0.00 0.00 0.00 19 V 8.02 5.12 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 0.63 0.00 0.00 0.95 0.00 0.00 20 F 7.34 4.79 0.00 3.22 3.08 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 21 K 8.47 4.85 0.00 1.55 1.33 0.00 1.45 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.33 7.81 22 Y 8.95 5.01 0.00 3.05 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 23 V 8.34 4.20 1.84 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 0.79 0.00 0.00 0.95 0.00 0.00 24 L 8.37 4.85 0.00 1.69 1.38 1.00 0.94 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 25 I 8.86 4.95 1.92 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 1.28 0.67 1.14 0.00 0.00 26 R 9.01 4.99 0.00 1.88 1.78 0.00 3.06 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 27 V 8.58 4.95 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 1.00 0.00 0.00 0.94 0.00 0.00 28 H 8.86 4.92 0.00 3.20 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.09 4.22 0.00 4.04 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 30 A 8.34 4.13 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 *40 S 7.91 4.18 0.00 3.20 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.31 4.77 0.00 1.79 1.84 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 42 E 8.68 5.31 0.00 1.82 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 2.20 2.31 0.00 43 I 8.87 4.77 1.89 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 1.25 1.37 0.97 0.00 0.00 44 V 8.87 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 1.11 0.00 0.00 1.02 0.00 0.00 45 R 8.73 4.90 0.00 1.75 1.66 0.00 3.51 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 46 G 8.20 4.43 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 0.00 0.00 0.00 47 Y 7.91 5.03 0.00 1.87 2.41 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 48 K 9.73 4.06 0.00 1.81 1.92 0.00 1.78 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.44 7.81 49 W 8.07 4.19 0.00 3.49 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 50 A 6.45 3.62 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 3.96 0.00 1.90 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 1.47 1.92 0.00 52 Y 7.46 4.96 0.00 3.26 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.20 4.16 0.00 3.38 3.59 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.35 4.43 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 55 D 8.20 4.56 0.00 3.14 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 56 I 7.80 3.90 2.06 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 1.05 0.00 0.00 57 Y 8.13 4.13 0.00 3.00 3.10 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 58 D 8.81 4.37 0.00 2.84 2.79 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 59 K 8.05 3.97 0.00 2.03 2.26 0.00 1.53 0.00 0.00 2.04 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.44 7.81 60 V 8.11 4.19 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 1.17 0.00 0.00 0.97 0.00 0.00 61 S 7.79 4.15 0.00 3.63 2.98 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 62 G 7.78 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 0.00 0.00 0.00 63 D 7.96 4.87 0.00 2.97 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 *65 Q 8.07 4.39 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 66 K 7.79 4.12 0.00 1.94 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 67 Q 7.54 4.44 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 68 G 7.95 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 C 7.29 4.69 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.79 0.00 2.81 2.53 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 0.00 71 C 8.39 5.82 0.00 2.79 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 72 E 8.63 5.05 0.00 1.85 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 2.32 2.16 0.00 73 C 8.09 4.29 0.00 1.23 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 0.00 0.00 0.00 74 L 8.00 4.11 0.00 1.61 1.58 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.89 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 76 G 7.54 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 4.54 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 0.00 78 R 8.62 5.06 0.00 0.67 1.35 0.00 2.92 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.25 0.00 79 I 8.10 4.43 0.95 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.05 0.54 0.00 0.00 80 S 8.84 4.57 0.00 4.03 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 81 H 9.23 5.13 0.00 3.24 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.81 4.53 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 83 S 9.13 4.19 0.00 4.15 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 84 Q 8.14 4.21 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.28 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 85 D 7.67 4.72 0.00 2.57 2.53 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 0.00 86 K 8.20 2.48 0.00 1.55 1.18 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.71 1.11 7.81 87 K 8.09 5.10 0.00 1.61 1.62 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.53 7.81 88 I 8.78 5.03 1.87 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.05 0.76 0.00 0.00 89 H 9.13 5.24 0.00 3.23 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.80 4.50 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 0.36 0.00 0.00 0.73 0.00 0.00 91 Y 7.73 5.49 0.00 3.17 3.02 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 92 G 9.36 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 0.00 0.00 0.00 93 Y 7.10 5.17 0.00 3.08 2.95 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 94 S 8.36 4.17 0.00 3.61 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 *96 A 8.45 4.19 0.70 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 97 Y 7.51 4.49 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 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 0.00 0.00 0.00 99 P 0.00 5.00 0.00 2.22 2.22 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 100 A 7.96 4.65 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 0.00 101 Q 8.15 3.83 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 102 H 7.64 4.26 0.00 2.58 3.15 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 6.57 3.48 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.45 3.81 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.52 0.88 0.00 0.00 105 S 7.73 4.18 0.00 3.93 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 0.00 106 T 8.05 3.98 4.34 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 1.38 0.00 0.00 107 E 7.90 3.97 0.00 2.21 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 0.00 2.33 2.37 0.00 108 K 7.72 4.10 0.00 1.91 1.83 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.63 7.81 109 I 8.13 3.78 2.01 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.98 0.00 0.00 110 K 8.79 4.01 0.00 1.93 1.90 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.54 7.81 111 A 7.72 4.01 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 0.00 112 K 7.83 3.87 0.00 1.52 1.32 0.00 1.54 0.00 0.00 1.39 0.00 0.00 3.06 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.42 1.15 7.81 113 Y 7.65 4.69 0.00 2.92 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 0.00 0.00 0.00 0.00 114 P 0.00 4.46 0.00 2.08 2.16 0.00 3.74 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.34 0.00 115 D 8.26 4.69 0.00 2.88 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 0.00 116 Y 7.90 4.75 0.00 3.16 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 0.00 117 E 8.74 4.31 0.00 2.08 1.84 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 2.30 2.26 0.00 118 V 8.56 4.94 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 0.99 0.00 0.00 1.04 0.00 0.00 119 T 8.77 5.07 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 1.23 0.00 0.00 120 W 8.31 6.12 0.00 3.54 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 0.00 121 A 8.77 4.19 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 * Residues marked with a * may have inaccurate shift predictions.