NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1964 8.1849 122.4828 54.7897 43.0603 175.6758 2 I 4.1640 8.2822 127.4634 60.1322 37.9492 170.2117 3 V 4.6636 8.6836 120.0373 59.3739 35.8369 174.7191 4 K 4.8912 9.2625 120.0377 54.2792 36.0111 176.6378 5 R 4.2629 9.5289 124.7649 58.2794 30.5582 176.7573 6 G 3.9253 9.0674 113.4025 45.1708 0.0000 173.2027 7 D 5.0039 8.1397 119.9512 54.3476 42.4058 175.4754 8 V 4.8616 9.0824 122.1756 61.4827 34.1365 174.0914 9 Y 5.1071 8.8564 124.3112 55.9070 42.5344 174.6653 10 F 4.9241 9.1555 120.2728 57.5489 40.4432 174.7549 11 A 5.1733 9.3512 124.3045 50.2628 22.9668 174.7759 12 D 5.0529 8.7226 121.4526 53.5628 41.0688 176.2109 13 L 4.4565 8.9639 126.4890 55.4991 42.2414 177.7750 14 S 4.5990 8.1768 115.7771 57.2978 63.7335 172.4577 15 P 4.5785 0.0000 0.0000 62.5502 32.1540 175.3745 16 V 4.5608 7.9020 111.1954 59.6309 35.8338 175.0298 17 V 4.4035 8.6022 120.2214 62.1029 34.6063 174.8401 18 G 3.7737 8.2390 115.2356 47.5580 0.0000 174.1790 19 S 4.6185 8.7783 120.5158 58.0234 62.6418 173.6552 20 E 4.1254 7.9099 121.1928 56.1866 29.6716 176.7318 21 Q 4.2435 8.9536 123.2168 55.6152 29.6440 175.7587 22 G 4.2333 8.2648 114.0262 45.1654 0.0000 172.5625 23 G 3.9009 8.2933 109.1831 44.5688 0.0000 172.3842 24 V 4.6067 8.1545 119.0937 62.3945 31.9515 175.2284 25 R 5.0602 9.0918 123.5961 54.0630 33.5586 172.4798 26 P 4.4952 0.0000 0.0000 63.2348 32.4076 175.6047 27 V 4.9187 9.0910 115.6637 59.5837 36.5230 173.8885 28 L 4.9582 8.7310 126.0393 53.4434 44.0791 175.5801 29 V 4.3717 8.8420 127.5971 63.0816 32.0018 175.9336 30 I 4.4895 8.6374 121.2452 60.6163 38.6753 176.0690 31 Q 4.1578 8.0767 124.0570 55.4557 29.8585 175.6169 32 N 4.5249 8.5355 120.4508 53.6055 39.2518 175.5599 33 D 4.4994 8.5633 120.3562 56.4990 41.1445 179.1799 34 I 3.9317 7.9163 120.6415 64.3443 37.1854 178.0170 35 G 3.8320 8.9390 106.8364 48.3388 0.0000 175.3262 36 N 4.2944 8.3607 118.8373 55.4150 38.1947 177.4355 37 R 3.8163 7.5646 119.3583 58.4111 30.4871 177.5446 38 F 4.6684 8.0563 114.3512 56.7165 40.4004 175.9155 39 S 4.6745 7.6324 113.5720 56.3531 63.4933 172.1889 40 P 4.4949 0.0000 0.0000 64.0202 31.7037 175.5139 41 T 5.1762 7.9768 109.0945 59.9264 71.6867 173.0563 42 A 4.8841 8.8793 123.7428 50.2481 23.0308 174.8993 43 I 4.9604 8.1663 119.0631 59.7382 40.2022 175.4658 44 V 5.0840 9.1006 118.7455 59.7475 36.5583 174.0034 45 A 5.2305 8.8391 124.0490 49.8599 21.6085 176.1627 46 A 4.3985 8.8379 124.2264 52.1090 19.7853 176.4482 47 I 4.8500 8.2479 121.6192 59.6914 39.9219 175.1730 48 T 4.7138 8.8692 120.1919 60.3442 70.4170 174.0253 49 A 4.5955 8.6177 128.5739 51.9939 19.8008 177.8184 50 Q 4.0981 8.1939 118.4865 57.9126 29.2987 176.0429 51 I 4.6973 7.4512 108.8338 59.0119 40.4690 174.7600 52 Q 4.5334 8.5690 117.6902 55.3456 30.9356 176.0339 53 K 4.7351 7.6895 115.7194 53.7567 34.9814 175.6645 54 A 4.2013 9.0521 125.8323 52.5179 18.7414 177.8902 55 K 4.3928 8.8916 121.1317 56.5303 34.0289 176.3840 56 L 4.7998 7.1260 117.1881 51.7799 44.8874 175.1363 57 P 4.4905 0.0000 0.0000 64.4354 31.6457 176.8886 58 T 4.3750 7.6993 109.1650 62.0590 69.2684 173.1690 59 H 5.4102 7.8209 119.6034 54.6109 30.7261 174.6142 60 V 4.3553 8.3300 121.7941 60.8516 34.2414 174.5522 61 E 4.4547 8.8996 127.7888 56.4490 30.5398 176.3669 62 I 4.1399 8.6150 125.0874 59.1737 39.9581 174.7306 63 D 4.7487 8.8828 127.7781 53.6886 41.8526 176.3722 64 A 4.1388 9.9120 133.5766 56.0843 18.7549 180.2660 65 K 4.0045 8.1740 115.5034 57.7562 32.0183 180.0312 66 R 3.8518 8.6241 119.6068 58.5736 29.8979 176.6861 67 Y 4.6322 7.9215 111.6807 57.4521 38.5539 176.0046 68 G 3.8857 8.3999 107.7656 46.2103 0.0000 173.8774 69 F 4.5126 8.1826 116.7984 55.5454 40.7146 176.1694 70 E 4.2444 8.7335 122.0955 59.1338 29.6596 177.7294 71 R 4.8296 7.7028 114.9274 54.0451 34.4808 175.0935 72 D 4.6096 8.9055 121.9278 55.5383 41.5885 175.9264 73 S 4.8537 8.7427 118.1519 56.7350 68.1277 172.7724 74 V 4.6862 8.4994 119.5883 61.4054 34.7700 174.3714 75 I 4.0663 8.6974 129.6458 61.1935 38.4700 175.2097 76 L 4.8803 8.8252 128.5085 53.2820 41.5207 177.1495 77 L 4.2964 8.9290 122.6959 55.4298 41.8446 177.9230 78 E 4.3958 8.0337 115.9156 56.7623 30.5472 176.5853 79 Q 4.7346 8.0227 120.4458 53.6299 28.7807 174.1310 80 I 5.1495 7.5992 114.9854 59.1672 41.0372 175.2279 81 R 4.5690 8.9788 118.2995 55.8604 33.1576 173.5567 82 T 4.9571 8.4761 117.5105 62.8142 69.3983 174.4128 83 I 4.6827 8.8364 120.1050 58.5338 41.3604 174.7303 84 D 4.7345 8.6346 123.5521 54.2197 41.8368 177.4798 85 K 4.0199 8.7336 125.2134 59.1614 32.2211 179.2463 86 Q 4.0525 8.1527 117.2241 58.3747 28.8681 177.9020 87 R 4.0998 8.0004 116.9828 58.0882 30.3964 176.6501 88 L 4.8463 7.6933 118.7215 54.4678 43.6131 174.0632 89 T 4.4294 9.2551 110.5403 62.2731 70.5236 175.3510 90 D 4.7047 9.3988 118.1193 53.3850 43.2767 176.2864 91 K 3.4765 8.3895 124.2104 56.1836 32.5080 175.8940 92 I 4.0647 8.2583 128.1095 63.0199 38.7907 175.1573 93 T 4.2157 6.7954 113.3484 61.9979 71.0306 170.4097 94 H 5.2120 8.6917 121.0199 54.4816 32.3617 173.2112 95 L 4.5836 8.7086 126.9202 54.0764 42.6793 176.8730 96 D 4.7467 8.7579 122.2143 52.7243 40.7468 176.9524 97 D 4.3770 8.5808 118.4860 57.2451 40.7415 178.9431 98 E 3.9438 8.1958 118.9590 59.5736 29.6046 178.7612 99 M 4.0272 8.3716 118.2296 58.9958 32.2673 178.2292 100 M 4.0776 8.2495 118.7876 58.2631 32.0773 178.3944 101 D 4.3354 8.2749 119.4217 57.3281 40.9678 179.0063 102 K 3.9133 7.6340 117.9936 59.2599 31.9450 179.6142 103 V 3.5515 7.6928 118.5647 66.0174 31.3629 177.7335 104 D 4.3685 8.6834 118.9386 57.4764 40.7008 178.6433 105 E 4.2505 8.3035 119.9187 58.9210 29.3797 179.3784 106 A 4.0508 8.0974 120.7188 54.9995 18.4397 179.4374 107 L 3.9261 8.3507 119.3210 58.3838 42.2699 179.2216 108 Q 4.0627 8.4703 118.2665 58.9687 28.7054 178.8700 109 I 3.8116 7.9723 120.7747 64.5402 36.9827 178.4301 110 S 4.1814 8.3126 112.9340 60.5692 62.1979 175.2448 111 L 4.5180 7.7394 118.4608 53.0270 42.7041 176.2899 112 A 3.7818 7.7244 119.5308 54.0408 16.2833 178.0712 113 L 4.7689 8.1941 114.7263 54.5466 43.0767 177.9003 114 I 3.5383 7.8148 120.0950 61.6701 37.2300 175.6963 115 D 4.8432 8.4804 123.0687 52.4641 40.1356 175.6969 116 F 4.5377 7.1473 120.1254 57.3337 37.9989 174.8782 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 1 L 8.18 4.20 0.00 1.56 1.58 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.28 4.16 1.82 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 1.17 0.70 0.83 0.00 0.00 3 V 8.68 4.66 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 0.31 0.00 0.00 0.85 0.00 0.00 4 K 9.26 4.89 0.00 1.98 1.70 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.49 7.81 5 R 9.53 4.26 0.00 1.95 1.88 0.00 3.25 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 6 G 9.07 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 7 D 8.14 5.00 0.00 2.96 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 8 V 9.08 4.86 2.02 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 0.97 0.00 0.00 1.04 0.00 0.00 9 Y 8.86 5.11 0.00 2.92 2.80 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 10 F 9.16 4.92 0.00 3.11 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 11 A 9.35 5.17 1.23 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 12 D 8.72 5.05 0.00 2.75 2.64 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 0.00 13 L 8.96 4.46 0.00 1.66 1.71 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.18 4.60 0.00 3.98 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 15 P 0.00 4.58 0.00 2.18 2.05 0.00 3.71 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 1.99 1.99 0.00 16 V 7.90 4.56 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 0.81 0.00 0.00 0.94 0.00 0.00 17 V 8.60 4.40 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 0.99 0.00 0.00 0.93 0.00 0.00 18 G 8.24 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 19 S 8.78 4.62 0.00 3.87 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 20 E 7.91 4.13 0.00 2.07 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 2.35 2.29 0.00 21 Q 8.95 4.24 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 22 G 8.26 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 23 G 8.29 3.90 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 0.00 0.00 0.00 24 V 8.15 4.61 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 0.89 0.00 0.00 0.95 0.00 0.00 25 R 9.09 5.06 0.00 1.96 2.05 0.00 2.86 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 26 P 0.00 4.50 0.00 2.27 1.87 0.00 3.41 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 2.15 1.93 0.00 27 V 9.09 4.92 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 0.76 0.00 0.00 1.00 0.00 0.00 28 L 8.73 4.96 0.00 1.74 1.52 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.84 4.37 2.27 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 0.94 0.00 0.00 1.02 0.00 0.00 30 I 8.64 4.49 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 1.22 0.84 0.91 0.00 0.00 31 Q 8.08 4.16 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 32 N 8.54 4.52 0.00 3.05 2.97 0.00 0.00 6.04 8.07 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 33 D 8.56 4.50 0.00 2.73 2.76 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 34 I 7.92 3.93 2.12 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 1.64 0.91 1.08 0.00 0.00 35 G 8.94 3.83 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 0.00 0.00 0.00 36 N 8.36 4.29 0.00 2.88 3.06 0.00 0.00 6.70 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 37 R 7.56 3.82 0.00 1.63 1.64 0.00 2.74 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 38 F 8.06 4.67 0.00 3.08 3.07 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 39 S 7.63 4.67 0.00 3.86 4.01 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 40 P 0.00 4.49 0.00 2.26 2.28 0.00 3.70 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 2.07 1.96 0.00 41 T 7.98 5.18 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 1.21 0.00 0.00 42 A 8.88 4.88 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 43 I 8.17 4.96 1.87 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 1.35 0.93 0.97 0.00 0.00 44 V 9.10 5.08 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 0.69 0.00 0.00 0.97 0.00 0.00 45 A 8.84 5.23 1.25 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 46 A 8.84 4.40 1.26 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 47 I 8.25 4.85 2.06 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 1.03 0.69 0.88 0.00 0.00 48 T 8.87 4.71 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 1.14 0.00 0.00 49 A 8.62 4.60 1.32 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 0.00 0.00 50 Q 8.19 4.10 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 51 I 7.45 4.70 1.85 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 1.37 0.79 0.91 0.00 0.00 52 Q 8.57 4.53 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.57 0.00 53 K 7.69 4.74 0.00 1.96 1.68 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 0.96 7.81 54 A 9.05 4.20 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 55 K 8.89 4.39 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.47 7.81 56 L 7.13 4.80 0.00 1.24 1.38 0.86 0.98 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 57 P 0.00 4.49 0.00 2.19 2.17 0.00 3.70 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 1.97 1.94 0.00 58 T 7.70 4.37 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 1.21 0.00 0.00 59 H 7.82 5.41 0.00 3.19 3.19 0.00 5.61 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 60 V 8.33 4.36 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 0.94 0.00 0.00 0.91 0.00 0.00 61 E 8.90 4.45 0.00 1.85 1.82 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 2.43 2.31 0.00 62 I 8.61 4.14 1.36 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 0.64 0.40 0.51 0.00 0.00 63 D 8.88 4.75 0.00 2.75 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 64 A 9.91 4.14 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.17 4.00 0.00 1.79 1.74 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 66 R 8.62 3.85 0.00 1.77 1.11 0.00 2.21 0.00 0.00 2.87 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.00 67 Y 7.92 4.63 0.00 3.11 3.04 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 68 G 8.40 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 69 F 8.18 4.51 0.00 3.03 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 70 E 8.73 4.24 0.00 2.03 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 0.00 2.34 2.33 0.00 71 R 7.70 4.83 0.00 1.71 1.81 0.00 3.29 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 72 D 8.91 4.61 0.00 2.56 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 73 S 8.74 4.85 0.00 3.27 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 0.00 74 V 8.50 4.69 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 0.89 0.00 0.00 0.86 0.00 0.00 75 I 8.70 4.07 1.78 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 1.07 0.61 0.86 0.00 0.00 76 L 8.83 4.88 0.00 1.56 1.90 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.93 4.30 0.00 1.85 1.72 0.91 0.79 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 78 E 8.03 4.40 0.00 2.08 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 2.25 2.28 0.00 79 Q 8.02 4.73 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 80 I 7.60 5.15 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 1.41 0.67 0.97 0.00 0.00 81 R 8.98 4.57 0.00 1.81 2.02 0.00 2.77 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 82 T 8.48 4.96 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 83 I 8.84 4.68 1.86 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 1.10 1.06 0.91 0.00 0.00 84 D 8.63 4.73 0.00 2.69 2.57 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 85 K 8.73 4.02 0.00 1.82 1.76 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.45 7.81 86 Q 8.15 4.05 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 87 R 8.00 4.10 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.47 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 88 L 7.69 4.85 0.00 1.63 1.43 0.49 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 89 T 9.26 4.43 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 1.25 0.00 0.00 90 D 9.40 4.70 0.00 2.91 2.73 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 91 K 8.39 3.48 0.00 0.81 1.38 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.12 1.01 7.81 92 I 8.26 4.06 1.62 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.45 0.30 0.00 0.00 93 T 6.80 4.22 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 1.27 0.00 0.00 94 H 8.69 5.21 0.00 3.12 3.15 0.00 5.97 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 95 L 8.71 4.58 0.00 1.46 1.48 0.78 0.98 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 96 D 8.76 4.75 0.00 2.96 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 97 D 8.58 4.38 0.00 2.73 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 98 E 8.20 3.94 0.00 2.05 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 2.41 2.37 0.00 99 M 8.37 4.03 0.00 2.21 1.83 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.12 0.00 100 M 8.25 4.08 0.00 2.05 2.08 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 2.58 2.80 0.00 101 D 8.27 4.34 0.00 2.85 2.65 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 0.00 102 K 7.63 3.91 0.00 2.01 1.78 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 103 V 7.69 3.55 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 1.08 0.00 0.00 0.89 0.00 0.00 104 D 8.68 4.37 0.00 2.79 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 0.00 105 E 8.30 4.25 0.00 2.03 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 1.89 2.24 0.00 106 A 8.10 4.05 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 0.00 107 L 8.35 3.93 0.00 1.98 1.87 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.47 4.06 0.00 2.53 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 109 I 7.97 3.81 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.93 0.00 0.00 110 S 8.31 4.18 0.00 3.85 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 0.00 111 L 7.74 4.52 0.00 1.66 1.64 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.72 3.78 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 0.00 113 L 8.19 4.77 0.00 1.56 1.64 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.81 3.54 1.57 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.33 -0.18 0.00 0.00 115 D 8.48 4.84 0.00 2.71 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 0.00 116 F 7.15 4.54 0.00 3.10 3.03 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