NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3807 8.1849 120.6295 54.5135 43.3030 175.6431 3 L 4.7905 8.7419 123.1773 52.6115 44.5058 174.6563 4 F 5.1989 8.9974 120.0266 55.7776 42.8140 174.9053 5 N 4.7530 9.1477 121.9304 52.3737 38.1520 174.8952 6 K 4.3620 8.5787 124.9191 56.3188 33.0739 177.0240 7 T 4.6865 8.1740 117.7682 61.5448 71.9302 173.9397 8 K 4.3296 8.9319 128.2228 59.2537 33.0658 176.3188 9 S 5.1749 7.7097 110.4824 57.6495 65.6579 173.7948 10 V 4.7084 8.8452 113.3242 59.6287 35.7285 174.3275 11 E 5.4749 8.8910 122.9122 54.5413 32.7040 174.5493 12 F 5.3551 9.2314 119.5554 55.5465 42.5204 173.1220 13 T 4.7214 8.8155 109.1852 59.3936 71.7323 174.4332 14 F 4.4701 9.4208 115.5660 59.9757 37.6804 176.8678 15 G 3.1888 6.8130 109.1359 47.6338 0.0000 173.6830 16 N 4.4686 7.7921 117.8452 53.2934 38.8828 174.8086 17 D 4.6973 8.7895 124.2918 56.7770 42.1361 176.2739 18 T 4.9679 7.6931 105.7121 59.9123 72.4722 173.6648 19 V 4.4099 8.8254 114.6599 59.4144 35.8258 174.9289 20 V 4.6667 8.0681 121.7100 61.1751 34.3779 174.5359 21 I 4.4222 8.2858 129.4110 58.7442 38.7824 173.4303 22 P 4.7780 0.0000 0.0000 63.0438 32.5503 176.8053 23 C 4.8663 8.3923 122.3038 55.7117 47.2517 172.6128 24 F 5.2707 9.0143 124.8161 55.7252 42.5920 174.1394 25 V 3.9175 9.0218 125.6219 62.4130 32.0261 176.8765 26 T 4.4028 8.9168 118.3365 62.5084 69.4296 174.6356 27 N 5.0132 7.5835 119.7113 52.3229 37.8671 174.1772 28 M 4.2313 8.1545 118.2620 57.1996 32.8662 175.1554 29 E 4.6635 9.4694 123.4863 55.7113 31.4958 175.7114 30 A 4.3074 8.1633 121.9967 52.7332 18.8250 178.2645 31 Q 4.4885 9.0792 120.4295 56.3372 30.4096 175.5399 32 N 5.0199 7.6169 115.1240 52.0217 42.0794 175.0626 33 T 4.1346 8.6175 113.6229 64.4177 69.1042 176.4055 34 T 4.2940 8.0959 111.5473 63.7861 68.8106 175.0205 35 E 4.1938 8.3635 121.0463 57.4142 30.1451 175.9542 36 V 5.0678 7.8151 119.6478 61.1977 34.5494 173.7184 37 Y 5.1028 9.0298 126.8041 55.8357 42.5123 173.9504 38 V 5.0426 8.5951 125.2877 61.1032 35.1493 174.1627 39 K 5.2134 9.2585 126.5778 54.4784 35.8250 174.9050 40 W 5.2742 9.6528 124.8383 54.9625 31.6301 175.0958 41 K 5.2795 9.4312 124.0707 54.6628 35.4992 175.0904 42 F 4.6495 8.8670 125.1939 56.9231 42.7824 174.7631 43 K 3.6641 9.0690 126.2727 57.4193 29.4756 176.0565 44 G 3.9269 8.1964 104.7357 45.5131 0.0000 173.8738 45 R 4.5001 7.6628 119.0995 54.2943 31.8809 175.7783 46 D 4.9796 8.5271 121.7740 54.3677 39.7712 176.0335 47 I 4.0631 8.3480 118.5012 61.8330 38.8018 175.5713 48 Y 5.1243 7.8206 124.1823 56.4973 42.2926 173.4267 49 T 5.0764 8.1729 115.5017 59.7970 73.1014 172.4934 50 F 4.8709 8.7131 125.1741 56.5728 42.6334 173.1853 51 D 3.9914 8.2232 127.8431 52.1850 41.2621 177.1297 52 G 3.1888 8.2036 116.9647 48.1553 0.0000 174.4264 53 A 3.9427 7.7870 122.1500 54.4089 18.3681 178.0637 54 L 4.3825 7.7721 112.1542 53.7136 42.8747 175.4703 55 N 4.0439 7.5711 116.2255 54.7470 37.4166 173.6239 56 K 4.5859 7.6261 118.1132 54.7247 35.1071 175.0679 57 S 5.1960 8.8017 123.3474 57.4052 65.0451 173.7341 58 T 4.6498 8.4331 120.0541 61.8791 71.8945 173.4497 59 V 4.9890 8.3440 118.5891 58.6610 35.7119 173.9265 60 P 4.5973 0.0000 0.0000 62.3854 32.1379 177.5527 61 T 3.9524 8.4624 109.6752 64.3592 68.7016 174.8319 62 D 4.5996 8.1289 119.5518 54.0917 40.4217 176.1889 63 F 4.7258 8.1183 120.3344 56.7444 39.7438 177.4084 64 S 4.2289 8.3281 117.0084 61.0362 62.9582 175.1824 65 S 4.3695 8.2496 113.4500 58.5944 63.5044 174.2638 66 A 4.3857 7.8358 124.5979 52.2985 18.7244 176.8478 67 K 4.2725 8.2468 120.0410 55.9879 36.4384 174.2169 68 I 4.6708 7.6083 113.1986 58.8670 41.2734 175.1317 69 E 4.1490 8.3814 123.9469 54.8606 29.0475 176.7680 70 V 3.3097 8.1472 127.4497 65.7694 31.3402 177.4219 71 S 4.2726 7.9615 112.0253 60.4080 63.0072 175.1371 72 Q 4.4090 7.9449 120.9033 56.2774 28.9270 177.3225 73 L 4.2600 7.6443 122.5726 57.2214 41.4137 179.2287 74 L 4.0085 7.8629 117.5822 57.4507 41.7551 178.1342 75 K 4.0971 7.9603 115.8915 57.3510 32.4669 177.7054 76 G 3.9144 8.5306 108.0168 45.9062 0.0000 172.1516 77 D 4.7947 8.0032 120.4479 52.6738 42.1753 176.1603 78 A 4.7400 8.3072 129.1756 51.5521 19.9411 176.1416 79 S 4.4098 8.2181 115.2908 60.5709 63.5738 174.0774 80 L 4.0453 8.1554 126.4092 53.8276 43.4534 175.2938 81 K 5.0242 8.5892 125.2825 54.7826 35.4585 175.0448 82 M 5.0228 8.4398 120.4696 53.5676 35.4001 174.2008 83 D 4.7453 8.9418 119.9592 52.3688 40.6460 177.6295 84 K 3.8545 8.4488 120.6920 60.0316 31.9776 179.6201 85 S 4.0395 7.9462 115.0639 61.6032 62.8763 176.1379 86 D 4.2272 8.4812 121.7945 56.4570 40.7172 178.4789 87 A 4.0111 7.6768 121.5388 55.1157 18.2378 180.1897 88 V 3.6533 8.0141 116.2617 64.3208 31.5344 177.1704 89 S 4.4310 7.2916 112.9280 58.8750 63.6752 173.5719 90 H 5.0360 7.9109 118.4544 55.3236 29.3413 173.7479 91 T 4.4022 7.8485 108.7749 61.8832 70.3037 175.2403 92 G 3.8691 7.9942 109.1336 44.9449 0.0000 171.1462 93 N 5.3339 8.5092 119.3385 52.6453 39.6984 174.3711 94 Y 5.0598 9.3992 122.2635 56.7719 40.7808 174.7626 95 T 4.8674 9.0199 120.6865 62.0380 71.2305 172.5386 96 C 3.8509 8.6320 127.6994 54.6049 45.2142 171.6860 97 E 5.1088 8.9649 128.2568 54.3192 31.8862 174.6266 98 V 5.0155 8.9501 126.4664 61.4359 35.1235 174.1511 99 T 5.1015 9.1150 123.3798 61.7370 72.3319 172.5972 100 E 4.8123 9.0530 126.6420 55.6004 32.4758 177.5587 101 L 3.5686 9.2064 130.9730 56.4220 41.0995 176.7830 102 T 4.4000 8.9799 125.0104 64.4993 70.2782 174.9839 103 R 4.1888 7.8595 122.3169 55.7925 30.6695 175.4493 104 E 5.1867 8.1868 118.7496 54.9360 33.0911 174.0695 105 G 4.4305 8.3758 105.1762 46.1728 0.0000 171.9379 106 E 4.9597 8.6280 117.1133 55.0944 32.9977 174.2288 107 T 4.4382 8.0059 113.5678 60.6321 71.2982 172.2283 108 I 5.0990 8.2014 126.4262 59.6534 40.0926 175.1164 109 I 4.8576 8.9458 126.1445 59.6164 41.5082 173.8900 110 E 4.8328 9.0664 128.5670 55.4292 31.1011 174.7659 111 L 4.9706 9.3639 130.4964 54.4772 43.5769 175.2797 112 K 5.1153 9.3481 126.2094 54.7757 35.2964 174.3677 113 Y 4.4611 8.6324 125.3480 55.7303 40.4411 174.3346 114 R 4.2559 7.8671 127.7074 54.2573 31.7108 175.6077 115 V 3.4988 8.0544 126.7570 62.3284 32.2776 175.7671 116 V 3.9317 8.2344 125.7530 62.9827 31.4643 175.0244 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 L 8.18 4.38 0.00 1.62 1.38 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.74 4.79 0.00 1.54 1.57 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 F 9.00 5.20 0.00 2.85 2.97 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 5 N 9.15 4.75 0.00 2.78 2.90 0.00 0.00 7.19 7.49 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 6 K 8.58 4.36 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.57 7.81 7 T 8.17 4.69 4.36 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 1.35 0.00 0.00 8 K 8.93 4.33 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.48 7.81 9 S 7.71 5.17 0.00 4.08 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 10 V 8.85 4.71 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 0.77 0.00 0.00 0.98 0.00 0.00 11 E 8.89 5.47 0.00 1.97 1.81 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 2.12 2.39 0.00 12 F 9.23 5.36 0.00 3.39 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 13 T 8.82 4.72 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 1.11 0.00 0.00 14 F 9.42 4.47 0.00 3.28 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 6.81 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 0.00 0.00 0.00 16 N 7.79 4.47 0.00 2.93 3.03 0.00 0.00 7.04 7.93 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 17 D 8.79 4.70 0.00 2.57 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 18 T 7.69 4.97 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 1.14 0.00 0.00 19 V 8.83 4.41 1.64 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 -0.13 0.00 0.00 0.51 0.00 0.00 20 V 8.07 4.67 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 0.74 0.00 0.00 0.83 0.00 0.00 21 I 8.29 4.42 1.13 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.23 0.98 0.00 0.00 22 P 0.00 4.78 0.00 2.44 2.34 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 23 C 8.39 4.87 0.00 3.21 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 24 F 9.01 5.27 0.00 3.04 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 25 V 9.02 3.92 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 0.69 0.00 0.00 0.43 0.00 0.00 26 T 8.92 4.40 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 1.26 0.00 0.00 27 N 7.58 5.01 0.00 2.77 2.84 0.00 0.00 6.01 7.66 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 28 M 8.15 4.23 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 29 E 9.47 4.66 0.00 2.08 1.86 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 2.22 2.41 0.00 30 A 8.16 4.31 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 31 Q 9.08 4.49 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 32 N 7.62 5.02 0.00 2.69 2.61 0.00 0.00 6.98 7.22 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 33 T 8.62 4.13 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 34 T 8.10 4.29 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 1.30 0.00 0.00 35 E 8.36 4.19 0.00 2.25 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 2.34 2.26 0.00 36 V 7.82 5.07 2.36 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 1.13 0.00 0.00 1.00 0.00 0.00 37 Y 9.03 5.10 0.00 3.09 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 38 V 8.60 5.04 2.39 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 1.20 0.00 0.00 1.10 0.00 0.00 39 K 9.26 5.21 0.00 1.75 1.74 0.00 1.83 0.00 0.00 2.02 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.59 1.65 7.81 40 W 9.65 5.27 0.00 3.38 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 41 K 9.43 5.28 0.00 1.68 1.68 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.38 7.81 42 F 8.87 4.65 0.00 2.55 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.07 3.66 0.00 1.59 1.61 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.59 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.85 0.21 7.81 44 G 8.20 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 45 R 7.66 4.50 0.00 1.92 1.86 0.00 3.21 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 46 D 8.53 4.98 0.00 2.69 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 47 I 8.35 4.06 0.56 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 0.55 0.49 0.44 0.00 0.00 48 Y 7.82 5.12 0.00 3.10 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 49 T 8.17 5.08 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 1.25 0.00 0.00 50 F 8.71 4.87 0.00 3.22 2.97 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 51 D 8.22 3.99 0.00 2.42 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 0.00 0.00 0.00 0.00 52 G 8.20 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 0.00 0.00 0.00 53 A 7.79 3.94 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 54 L 7.77 4.38 0.00 1.52 1.64 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 N 7.57 4.04 0.00 2.81 2.84 0.00 0.00 6.77 6.68 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 56 K 7.63 4.59 0.00 1.82 1.46 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 S 8.80 5.20 0.00 3.89 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 58 T 8.43 4.65 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 1.18 0.00 0.00 59 V 8.34 4.99 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.01 0.00 0.00 60 P 0.00 4.60 0.00 2.54 2.25 0.00 3.96 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.02 0.00 61 T 8.46 3.95 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 62 D 8.13 4.60 0.00 2.75 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 63 F 8.12 4.73 0.00 3.05 3.05 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 64 S 8.33 4.23 0.00 3.99 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 0.00 65 S 8.25 4.37 0.00 3.95 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 66 A 7.84 4.39 1.39 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 67 K 8.25 4.27 0.00 1.71 1.83 0.00 1.17 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.18 7.81 68 I 7.61 4.67 1.71 0.00 0.00 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 1.05 0.49 0.64 0.00 0.00 69 E 8.38 4.15 0.00 1.93 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 2.28 2.22 0.00 70 V 8.15 3.31 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 0.88 0.00 0.00 0.26 0.00 0.00 71 S 7.96 4.27 0.00 4.04 3.96 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 Q 7.94 4.41 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 73 L 7.64 4.26 0.00 1.81 1.75 0.86 0.72 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 74 L 7.86 4.01 0.00 1.65 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.96 4.10 0.00 1.97 1.91 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.45 7.81 76 G 8.53 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 77 D 8.00 4.79 0.00 2.93 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 78 A 8.31 4.74 1.27 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 0.00 0.00 0.00 79 S 8.22 4.41 0.00 3.63 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 80 L 8.16 4.05 0.00 0.27 0.14 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.59 5.02 0.00 1.46 1.46 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.17 1.13 7.81 82 M 8.44 5.02 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 83 D 8.94 4.75 0.00 2.83 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 84 K 8.45 3.85 0.00 2.10 2.28 0.00 1.39 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.45 7.81 85 S 7.95 4.04 0.00 4.01 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 86 D 8.48 4.23 0.00 2.67 2.46 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 0.00 0.00 0.00 0.00 87 A 7.68 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.01 3.65 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 0.68 0.00 0.00 0.10 0.00 0.00 89 S 7.29 4.43 0.00 3.74 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 90 H 7.91 5.04 0.00 3.00 2.62 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.85 4.40 4.60 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 0.00 0.00 0.00 1.48 0.00 0.00 92 G 7.99 3.87 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 0.00 0.00 0.00 93 N 8.51 5.33 0.00 2.61 2.82 0.00 0.00 6.66 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 94 Y 9.40 5.06 0.00 3.30 3.43 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 95 T 9.02 4.87 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 1.13 0.00 0.00 96 C 8.63 3.85 0.00 1.23 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 0.00 0.00 0.00 0.00 97 E 8.96 5.11 0.00 1.92 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 2.22 2.19 0.00 98 V 8.95 5.02 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 0.97 0.00 0.00 1.03 0.00 0.00 99 T 9.12 5.10 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 1.28 0.00 0.00 100 E 9.05 4.81 0.00 1.98 1.78 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 2.20 2.27 0.00 101 L 9.21 3.57 0.00 1.81 1.15 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.98 4.40 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 1.20 0.00 0.00 103 R 7.86 4.19 0.00 2.02 1.84 0.00 3.06 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 104 E 8.19 5.19 0.00 2.03 1.87 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 2.17 2.30 0.00 105 G 8.38 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 0.00 106 E 8.63 4.96 0.00 1.81 1.76 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 2.08 2.14 0.00 107 T 8.01 4.44 3.30 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 0.78 0.00 0.00 108 I 8.20 5.10 1.87 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 1.32 0.71 0.96 0.00 0.00 109 I 8.95 4.86 2.12 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 1.04 0.00 0.00 110 E 9.07 4.83 0.00 2.30 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 2.42 2.54 0.00 111 L 9.36 4.97 0.00 1.90 2.01 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.35 5.12 0.00 1.89 1.71 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 113 Y 8.63 4.46 0.00 2.44 2.69 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 0.00 114 R 7.87 4.26 0.00 1.63 1.54 0.00 3.25 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 1.39 1.41 0.00 115 V 8.05 3.50 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 0.79 0.00 0.00 0.91 0.00 0.00 116 V 8.23 3.93 2.28 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 0.94 0.00 0.00 1.00 0.00 0.00