NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.9584 8.3249 119.4086 56.9191 40.9571 175.4110 3 F 4.8053 8.0177 117.5248 55.2058 39.4720 174.8383 4 K 4.1933 8.4072 122.3528 58.3198 33.8994 176.0179 5 E 4.6031 7.9185 119.9565 53.9926 31.7632 174.8106 6 I 4.0478 8.3579 127.5224 61.3154 38.0022 175.4176 7 H 4.3442 9.0495 125.9610 58.9070 30.0303 174.1026 8 H 4.8960 7.4177 110.6422 55.1062 31.0620 172.7708 9 V 4.5280 8.3185 117.9142 61.0369 34.0632 173.9275 10 A 5.3842 8.6795 128.5699 50.5241 21.2877 175.9850 11 I 4.6223 8.9423 121.2257 59.5698 41.6698 174.0774 12 N 5.2884 8.6501 122.5761 51.7167 39.8686 174.1704 13 A 5.1289 9.3359 125.2967 50.3472 22.5144 176.6351 14 S 4.7996 9.2851 112.9965 58.7176 64.5418 175.1352 15 N 5.0449 7.8334 118.3092 50.8069 42.4956 173.8203 16 Y 4.0637 8.6959 128.4620 61.0879 39.1413 177.8567 17 Q 3.9236 8.3741 119.8179 58.9975 29.2396 177.6865 18 A 4.0375 8.8005 122.3369 55.4928 18.3214 179.8357 19 T 4.0811 7.8894 113.9295 66.8022 68.4991 177.2242 20 K 3.9358 7.9048 120.3945 59.4100 31.9079 178.9037 21 N 4.2899 8.4082 117.5167 56.6706 38.8577 176.4943 22 F 4.1109 8.3797 121.9454 61.4413 39.6604 177.1173 23 Y 4.2307 8.6145 116.4352 60.7637 37.5585 178.2614 24 V 4.2436 7.7152 119.8916 65.3160 31.8164 177.8786 25 E 4.0119 8.3214 117.2866 58.8950 29.4267 179.0079 26 K 4.2015 7.4746 117.0692 58.9622 32.8227 179.0324 27 L 4.1747 7.7262 116.8725 55.4076 41.6033 178.1561 28 G 3.8516 7.6798 106.3684 45.7501 0.0000 173.6798 29 F 4.2603 8.3080 118.3060 57.3534 40.1796 174.3770 30 E 4.8315 9.1566 121.6636 54.5772 32.1731 175.5642 31 V 3.9261 8.3400 122.9897 63.4217 31.7038 175.1661 32 L 4.5197 9.1696 131.3412 57.0220 42.7026 176.5743 33 R 4.8101 7.6057 113.2790 54.8886 33.0682 173.1354 34 E 5.1135 8.5868 120.5529 54.8993 32.7352 174.1596 35 N 5.1313 9.2171 123.0970 52.1574 43.7052 172.9375 36 H 5.1008 8.8784 119.7120 54.7709 30.4845 175.1658 37 R 4.4958 8.8238 123.8440 53.7906 30.1759 175.2555 38 P 4.1933 0.0000 0.0000 65.4956 31.5699 177.9381 39 E 4.0194 8.2615 118.4871 58.1273 29.5525 177.1063 40 K 4.3517 8.0648 116.0505 55.8594 33.1942 175.5992 41 N 4.9482 7.9313 117.2588 51.3587 37.8173 173.3861 42 D 4.8407 8.2054 122.0950 52.3466 43.6658 173.3258 43 I 4.7799 8.4816 118.4418 59.4645 40.4144 175.0003 44 K 4.5529 9.1636 128.6420 54.6578 34.0406 174.5483 45 L 5.0299 8.8472 131.1367 53.5050 44.3861 174.5485 46 D 5.1459 8.9357 127.4724 52.9447 42.7713 175.8554 47 L 5.3502 9.2035 122.9961 52.7714 45.9484 175.3936 48 K 5.1947 9.3759 122.6560 54.7026 35.8460 174.6329 49 L 4.6662 8.6301 128.2700 53.4917 45.0490 176.9098 50 G 3.8316 9.1890 117.7414 47.0347 0.0000 174.2980 51 S 4.6390 9.0182 117.7723 57.4660 64.1928 173.6678 52 Q 4.3247 7.9973 123.8402 55.7943 29.8424 173.7872 53 E 5.2635 8.6843 124.4756 54.2983 33.4625 173.8101 54 L 5.0714 9.1442 128.0627 53.1925 45.3704 174.3160 55 E 4.7872 9.0972 127.7612 54.5333 31.8271 174.3033 56 I 4.8905 8.8108 128.2630 59.5243 40.2763 174.4336 57 F 5.1378 9.4182 126.6020 56.0371 41.0758 174.7918 58 I 5.2187 8.8207 125.3211 59.7802 39.6496 174.7130 59 S 4.7847 9.0470 119.8789 57.2984 65.9848 174.9046 60 D 4.7529 8.7038 124.5634 54.0456 39.5287 177.0419 61 Q 4.0554 7.3861 119.3665 57.6875 29.1336 176.1833 62 F 4.6241 7.4762 117.5746 56.1632 39.4265 173.7322 63 P 4.5660 0.0000 0.0000 61.5023 32.3035 175.6399 64 A 4.0691 8.3191 121.1905 52.0087 18.6514 177.4562 65 R 3.9485 8.4327 121.4957 55.5372 30.5642 174.9121 66 P 4.4158 0.0000 0.0000 63.0239 31.9462 175.6554 67 S 4.3853 8.1913 114.8395 57.8561 66.3116 173.0365 68 Y 3.5360 7.5901 117.0970 58.5147 34.8074 168.5490 69 P 4.6164 0.0000 0.0000 61.2069 33.6212 176.3359 70 E 4.1558 8.2837 118.5654 56.5300 29.9894 176.4859 71 A 4.5925 7.9680 123.3630 50.1769 20.9079 177.1870 72 L 3.9804 8.1738 119.3300 56.2712 42.5420 176.7256 73 G 3.8353 8.5069 105.3243 44.1597 0.0000 173.0474 74 L 4.0812 8.4171 120.7698 54.9140 42.4007 176.0524 75 R 4.3231 8.5468 123.2698 57.7132 31.1604 175.1840 76 H 5.0831 7.4979 109.3367 54.4691 31.9251 171.5883 77 L 4.7953 8.4444 118.8521 53.0784 44.8043 174.7146 78 A 5.0719 8.4372 126.8105 50.1161 21.7262 175.1501 79 F 4.8706 9.3032 120.8620 55.5972 41.5782 175.0450 80 K 4.7949 8.7886 124.8127 56.2149 32.9033 176.1978 81 V 4.5458 8.7600 120.0061 59.8381 35.1578 176.8305 82 E 3.8976 8.8969 122.3685 58.8492 30.1671 176.8022 83 H 4.8285 7.8051 119.5652 53.3764 31.8058 173.2160 84 I 3.7744 9.1628 128.9043 64.0529 37.6714 177.4830 85 E 3.9519 8.0617 119.4091 59.3565 29.2483 178.9955 86 E 3.9735 7.8872 116.5712 59.2905 29.5875 179.4672 87 V 3.5224 7.6655 118.7180 65.7208 31.6922 177.7245 88 I 3.5942 7.9982 119.6515 64.3929 36.9014 178.1378 89 A 3.9456 8.1729 121.5009 55.1107 18.0964 179.2149 90 F 3.9684 8.3695 119.2810 61.5356 39.3235 177.3684 91 L 3.5411 8.0551 118.4436 57.8358 41.4228 179.2934 92 N 4.4649 8.3594 118.1176 55.7438 38.2005 177.1127 93 E 3.9143 8.0574 120.0855 58.8601 29.7385 177.8951 94 Q 4.2170 7.1112 115.6164 55.3970 28.7875 176.4308 95 G 3.7802 7.7952 107.9859 45.7970 0.0000 173.5100 96 I 4.3925 7.6749 121.5138 59.0715 37.8201 175.4576 97 E 4.3109 8.8101 125.7888 56.4336 30.1049 176.4267 98 T 5.1104 8.1122 111.4024 59.7096 71.6233 173.6146 99 E 4.3851 9.1515 123.5308 55.7256 30.3720 175.1760 100 P 4.4248 0.0000 0.0000 62.8111 32.1218 176.1394 101 L 4.2893 8.5012 125.3639 55.5278 43.0244 175.9155 102 R 4.7485 8.3562 120.3458 55.3334 33.4915 173.3706 103 V 4.7573 8.0756 111.1742 59.2404 34.4490 175.8997 104 D 4.3997 8.9171 124.1740 54.2078 41.6639 177.0006 105 D 4.1079 8.7119 126.3927 56.7588 40.7833 177.3635 106 F 4.9183 7.8460 114.4352 57.3182 40.7649 175.9920 107 T 4.3718 8.0804 108.8485 60.6658 70.3405 175.5830 108 G 3.9110 8.3233 108.9570 45.2501 0.0000 173.2511 109 K 4.4821 7.4250 118.7104 54.9384 34.1120 176.8116 110 K 4.9189 8.2666 121.8407 56.3438 33.9067 175.7389 *112 T 4.6112 8.1470 115.6816 62.3232 69.1874 171.8374 113 F 5.3191 8.6645 119.8175 55.5160 43.1561 174.4430 114 F 5.5651 8.9122 116.3861 55.1762 41.8035 173.3019 115 F 5.3084 8.8320 115.8803 55.6389 42.8241 175.0747 116 D 3.3700 8.8365 122.4064 51.4783 40.2444 175.5329 117 P 4.1515 0.0000 0.0000 65.1508 31.2352 177.2811 118 D 4.6886 8.4054 116.3622 53.9042 40.7619 177.0652 119 G 3.8788 8.4455 107.0864 45.4757 0.0000 173.6141 120 L 4.1907 8.0031 122.5839 54.1190 43.0035 174.4360 121 P 4.4859 0.0000 0.0000 62.4979 32.7937 175.1756 122 L 4.8439 8.5275 124.2686 52.8477 44.8323 175.2008 123 E 4.2739 9.0078 125.4796 54.5719 31.7257 174.3422 124 L 5.2781 8.5449 125.8791 53.3966 43.9636 175.5890 125 H 4.9044 9.1078 122.7176 54.4269 33.6019 172.9145 126 E 4.9840 8.7915 124.1222 56.1803 28.9703 176.6935 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 F 8.32 4.96 0.00 2.41 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 0.00 0.00 0.00 0.00 3 F 8.02 4.81 0.00 3.17 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 4 K 8.41 4.19 0.00 1.90 1.98 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 5 E 7.92 4.60 0.00 1.92 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 2.20 2.31 0.00 6 I 8.36 4.05 1.90 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 1.33 0.68 0.98 0.00 0.00 7 H 9.05 4.34 0.00 3.14 3.30 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 7.42 4.90 0.00 3.25 3.26 0.00 5.72 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 9 V 8.32 4.53 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 1.02 0.00 0.00 0.93 0.00 0.00 10 A 8.68 5.38 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 0.00 0.00 11 I 8.94 4.62 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.88 0.00 0.00 12 N 8.65 5.29 0.00 2.08 1.42 0.00 0.00 6.70 7.35 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 13 A 9.34 5.13 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 14 S 9.29 4.80 0.00 4.05 4.10 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 15 N 7.83 5.04 0.00 2.77 2.70 0.00 0.00 6.87 7.56 0.00 0.00 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 Y 8.70 4.06 0.00 3.11 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 17 Q 8.37 3.92 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 18 A 8.80 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.08 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 1.29 0.00 0.00 20 K 7.90 3.94 0.00 1.62 1.78 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.81 1.10 7.81 21 N 8.41 4.29 0.00 2.94 3.03 0.00 0.00 6.90 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.38 4.11 0.00 3.21 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 23 Y 8.61 4.23 0.00 3.27 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 24 V 7.72 4.24 2.32 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 1.52 0.00 0.00 1.02 0.00 0.00 25 E 8.32 4.01 0.00 2.21 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 0.00 2.52 2.51 0.00 26 K 7.47 4.20 0.00 1.53 1.58 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.57 7.81 27 L 7.73 4.17 0.00 1.94 1.98 0.51 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.68 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 29 F 8.31 4.26 0.00 3.34 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 30 E 9.16 4.83 0.00 2.05 1.88 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 2.27 2.24 0.00 31 V 8.34 3.93 2.12 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 0.79 0.00 0.00 0.98 0.00 0.00 32 L 9.17 4.52 0.00 1.66 1.85 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.61 4.81 0.00 1.87 1.95 0.00 3.05 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 34 E 8.59 5.11 0.00 2.01 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 2.30 2.46 0.00 35 N 9.22 5.13 0.00 2.64 2.64 0.00 0.00 6.55 7.69 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 36 H 8.88 5.10 0.00 2.98 3.20 0.00 5.69 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 37 R 8.82 4.50 0.00 2.00 1.93 0.00 3.20 0.00 0.00 3.75 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 38 P 0.00 4.19 0.00 2.18 2.19 0.00 3.80 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 2.00 1.97 0.00 39 E 8.26 4.02 0.00 1.94 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 2.30 2.41 0.00 40 K 8.06 4.35 0.00 1.81 1.87 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.37 7.81 41 N 7.93 4.95 0.00 2.80 2.92 0.00 0.00 5.86 8.06 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 42 D 8.21 4.84 0.00 3.04 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 43 I 8.48 4.78 1.92 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.55 0.96 0.00 0.00 44 K 9.16 4.55 0.00 1.65 1.56 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.97 0.33 7.81 45 L 8.85 5.03 0.00 1.75 1.56 1.03 1.07 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 46 D 8.94 5.15 0.00 2.58 2.52 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 47 L 9.20 5.35 0.00 1.34 1.63 0.77 0.70 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 48 K 9.38 5.19 0.00 1.87 1.67 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.45 7.81 49 L 8.63 4.67 0.00 0.91 0.77 0.73 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.19 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 51 S 9.02 4.64 0.00 3.97 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 52 Q 8.00 4.32 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 53 E 8.68 5.26 0.00 2.06 1.97 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 2.25 2.48 0.00 54 L 9.14 5.07 0.00 1.43 1.07 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.10 4.79 0.00 1.89 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 1.82 2.11 0.00 56 I 8.81 4.89 1.71 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.18 0.88 0.00 0.00 57 F 9.42 5.14 0.00 3.16 3.23 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 58 I 8.82 5.22 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 1.06 0.00 0.00 59 S 9.05 4.78 0.00 3.58 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 60 D 8.70 4.75 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.39 4.06 0.00 1.67 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 62 F 7.48 4.62 0.00 3.09 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 63 P 0.00 4.57 0.00 2.21 2.11 0.00 3.94 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 2.01 0.00 64 A 8.32 4.07 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 65 R 8.43 3.95 0.00 1.78 1.87 0.00 3.26 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 66 P 0.00 4.42 0.00 2.05 1.96 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 2.01 2.07 0.00 67 S 8.19 4.39 0.00 3.70 3.72 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 68 Y 7.59 3.54 0.00 3.16 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 69 P 0.00 4.62 0.00 2.14 2.03 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 70 E 8.28 4.16 0.00 1.89 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 2.34 2.09 0.00 71 A 7.97 4.59 1.20 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 0.00 0.00 72 L 8.17 3.98 0.00 1.62 1.61 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 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 74 L 8.42 4.08 0.00 1.61 1.58 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.55 4.32 0.00 1.70 1.83 0.00 3.22 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 1.79 0.00 76 H 7.50 5.08 0.00 3.41 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.44 4.80 0.00 1.73 1.40 0.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.44 5.07 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 79 F 9.30 4.87 0.00 3.04 2.99 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 80 K 8.79 4.79 0.00 1.81 1.76 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81 81 V 8.76 4.55 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 0.91 0.00 0.00 0.99 0.00 0.00 82 E 8.90 3.90 0.00 1.96 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 0.00 2.30 2.28 0.00 83 H 7.81 4.83 0.00 3.07 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 9.16 3.77 1.89 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 1.50 1.43 0.89 0.00 0.00 85 E 8.06 3.95 0.00 2.11 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 0.00 2.39 2.41 0.00 86 E 7.89 3.97 0.00 2.29 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 2.55 2.28 0.00 87 V 7.67 3.52 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 1.02 0.00 0.00 0.91 0.00 0.00 88 I 8.00 3.59 2.00 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 1.45 0.50 0.91 0.00 0.00 89 A 8.17 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 3.97 0.00 3.08 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 91 L 8.06 3.54 0.00 1.66 1.54 -0.06 0.36 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 92 N 8.36 4.46 0.00 2.77 2.83 0.00 0.00 6.19 7.34 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 93 E 8.06 3.91 0.00 1.94 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 2.21 2.28 0.00 94 Q 7.11 4.22 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.91 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 95 G 7.80 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 96 I 7.67 4.39 1.88 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 1.13 0.00 0.00 97 E 8.81 4.31 0.00 2.10 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 0.00 2.36 2.36 0.00 98 T 8.11 5.11 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 1.24 0.00 0.00 99 E 9.15 4.39 0.00 2.08 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 0.00 2.60 2.80 0.00 100 P 0.00 4.42 0.00 1.98 2.03 0.00 3.77 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 2.08 2.14 0.00 101 L 8.50 4.29 0.00 1.65 1.57 0.91 0.87 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 0.00 102 R 8.36 4.75 0.00 1.87 2.01 0.00 3.02 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 103 V 8.08 4.76 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 0.68 0.00 0.00 0.90 0.00 0.00 104 D 8.92 4.40 0.00 2.76 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 0.00 105 D 8.71 4.11 0.00 1.58 1.73 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 0.00 106 F 7.85 4.92 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 0.00 107 T 8.08 4.37 4.31 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 1.32 0.00 0.00 108 G 8.32 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 0.00 109 K 7.43 4.48 0.00 1.77 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 110 K 8.27 4.92 0.00 1.66 1.68 0.00 2.07 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.25 7.81 *112 T 8.15 4.61 4.27 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 1.26 0.00 0.00 113 F 8.66 5.32 0.00 3.05 2.33 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 0.00 114 F 8.91 5.57 0.00 3.31 3.14 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 0.00 115 F 8.83 5.31 0.00 2.98 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 0.00 116 D 8.84 3.37 0.00 1.92 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 0.00 117 P 0.00 4.15 0.00 1.99 2.12 0.00 3.21 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 118 D 8.41 4.69 0.00 2.77 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 0.00 119 G 8.45 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 0.00 120 L 8.00 4.19 0.00 1.83 1.80 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.49 0.00 2.17 1.81 0.00 3.77 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 122 L 8.53 4.84 0.00 0.27 1.19 1.09 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.01 4.27 0.00 1.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 124 L 8.54 5.28 0.00 1.52 1.60 0.89 1.07 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 0.00 125 H 9.11 4.90 0.00 3.23 3.04 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.79 4.98 0.00 1.87 1.85 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 2.48 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.