NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0712 8.3881 118.1510 55.4685 33.7566 173.3009 2 I 4.9034 8.6746 111.9713 58.8916 41.7326 172.4993 3 I 5.0331 8.7704 123.2398 59.4962 40.9998 176.1568 4 V 4.9001 9.0373 126.0054 61.2777 34.4812 173.3339 5 Y 5.4530 9.3760 129.2124 56.3440 41.2709 174.1987 6 T 5.1347 8.2799 119.3826 61.1815 71.5940 171.9680 7 T 4.9932 7.8537 113.6584 59.7926 72.0681 173.0190 8 F 4.5070 8.7255 120.5806 54.8284 42.7207 174.6287 9 P 4.3412 0.0000 0.0000 65.1099 31.8873 175.3837 10 D 4.5754 7.2115 117.9407 50.9196 42.5095 176.2938 11 W 3.9569 8.7083 118.9737 59.3775 28.9813 178.4009 12 E 3.9386 8.2811 119.3205 59.3513 29.0702 178.9904 13 S 3.9672 8.6422 114.3079 61.2114 63.1836 176.0164 14 A 2.0000 7.2757 124.2246 54.2780 17.9306 179.5697 15 E 3.8662 8.1153 117.0446 59.1767 29.5622 179.5628 16 K 3.8525 7.7953 119.5860 59.4213 32.2360 179.1602 17 V 3.5254 7.8160 118.9054 65.9579 31.5089 178.1801 18 V 3.5735 7.5580 117.9895 66.0304 31.3523 178.2173 19 K 4.0616 8.3255 118.4370 59.5580 31.7999 179.6015 20 T 3.9122 7.7722 116.1955 66.5438 68.2960 176.8891 21 L 4.0599 8.1823 121.0791 57.5334 41.5024 179.6652 22 L 3.9793 7.9656 119.1092 57.7577 41.4163 179.5083 23 K 3.9748 7.9459 117.1856 59.3939 32.1035 178.4230 24 E 4.2089 8.0339 115.5788 55.6410 30.1307 176.5488 25 R 3.8258 8.1443 118.3959 57.2301 28.3106 177.7405 26 L 4.2688 8.2045 117.5098 55.7351 42.4897 177.3053 27 I 4.6450 7.2994 109.8828 59.2667 40.4580 174.5264 28 A 4.2637 8.4555 121.8333 52.3760 19.6856 176.9999 *30 A 4.4420 7.7937 116.5081 51.6998 20.1438 175.9307 31 N 5.0247 9.4204 119.2849 51.6088 41.2459 173.5759 32 L 5.8067 8.7923 123.7679 52.4011 44.4848 176.2452 33 R 4.9223 8.0452 116.6869 55.1274 32.4363 174.2803 34 E 4.7253 9.1253 121.1389 57.3113 30.6698 175.2934 35 H 4.8434 8.8211 115.5384 55.0625 32.5930 172.4276 36 R 4.7934 8.7861 119.7285 54.8790 31.1269 174.8768 37 A 4.8686 9.0736 129.7166 50.7723 20.9458 175.5359 38 F 5.2366 8.9466 120.8017 55.8470 41.8424 174.2132 39 Y 4.8959 8.2725 119.9394 55.7906 41.6807 173.5531 40 W 4.8807 8.9794 120.6267 56.2976 30.3797 176.6067 41 W 4.7509 9.7614 134.8629 56.6329 31.9329 173.5636 42 E 3.6496 9.3700 124.6540 57.1275 27.3267 175.6596 43 G 4.0224 8.5937 105.3761 46.0709 0.0000 171.3816 44 K 4.7062 8.1430 120.1506 54.5099 35.4341 174.9623 45 I 3.9438 7.9469 126.1598 60.7527 37.5317 175.3125 46 E 4.3271 8.6969 127.4814 54.8983 31.9204 175.1791 47 E 4.7101 8.1787 121.5847 54.6739 32.2626 174.3611 48 D 4.8345 8.9529 126.1291 52.3428 45.7902 174.8793 49 K 4.6286 8.6158 123.2665 56.6722 33.3729 175.4592 50 E 4.7726 9.0709 124.8051 55.0147 35.2013 174.0501 51 V 4.1419 8.5493 120.7765 61.0228 33.4982 175.0315 52 G 4.3052 9.0998 116.2138 45.8402 0.0000 171.7983 53 A 5.3161 8.9525 123.7225 50.0168 22.6786 174.9938 54 I 4.7675 9.0052 124.1840 59.9002 39.2401 174.8296 55 L 5.1113 9.2599 127.9871 52.9753 44.5665 175.8616 56 K 5.1093 8.4188 120.7563 55.3166 35.7020 175.3455 57 T 4.8162 8.3611 117.8690 61.8250 71.4728 172.4455 58 R 4.6162 8.4780 119.6072 55.4046 31.6832 177.4495 59 E 4.0456 8.9303 120.7283 59.7766 29.3217 179.3791 60 D 4.6127 8.1413 116.4555 55.3179 39.8185 177.1585 61 L 4.4819 7.7663 119.5393 54.3469 41.9024 177.6617 62 W 4.6307 8.1921 130.2738 60.9923 30.7395 177.4781 63 E 3.4471 8.1578 117.5295 59.3641 28.8961 179.0177 64 E 3.8633 7.9753 118.7084 58.9894 29.7061 178.3931 65 L 3.8779 8.2744 120.9173 57.9542 42.1755 178.8201 66 K 3.5854 7.6940 119.8400 59.1878 32.0145 178.3710 67 E 3.7517 7.7244 119.0512 59.3726 29.6280 178.7976 68 R 4.0534 8.0893 118.8447 59.4442 30.0245 178.5368 69 I 3.7621 8.0751 120.1081 64.1919 36.8605 178.3446 70 K 3.9122 7.7229 118.3379 59.7697 31.9882 178.9717 71 E 4.1102 8.0107 117.3053 58.7623 29.3967 178.5595 72 L 4.3464 7.5486 117.3749 55.4956 42.8114 177.0728 73 H 4.1639 8.0827 118.7413 55.6619 30.2011 173.5475 74 P 4.4213 0.0000 0.0000 65.1297 31.7430 176.3046 75 Y 4.7266 7.7944 116.2851 57.3061 38.9045 175.0396 76 D 4.4674 8.9448 123.2677 57.0445 41.6278 177.1505 77 V 4.2726 7.3520 119.3149 60.0962 31.0781 172.6992 78 P 4.4631 0.0000 0.0000 61.5241 32.8009 176.0486 79 A 4.4481 8.1400 120.3044 51.0069 20.3322 176.4091 80 I 4.6813 8.3941 123.5213 59.3526 38.3499 173.0676 81 I 4.4223 8.9736 126.3811 59.6468 39.1054 174.1960 82 R 4.7117 8.4189 127.6466 54.5669 31.6511 175.1243 83 I 4.4705 8.4676 126.9399 59.2876 40.1855 174.9012 84 D 4.6311 8.7246 127.2157 54.3156 41.7270 175.9261 85 V 4.1245 8.0649 122.4667 61.6415 31.8356 175.9246 86 D 4.4693 8.9307 128.4084 57.3068 41.1447 175.8832 87 D 4.5566 7.6330 114.3703 53.7990 43.7840 174.5758 88 V 4.5310 7.9622 121.9187 58.8641 34.4331 174.2766 89 N 4.4938 8.6163 119.6826 52.8217 38.8459 175.3977 90 E 4.0032 8.9634 124.1215 60.0619 29.6907 179.3398 91 D 4.4422 8.2285 117.9120 57.7475 40.8467 178.2604 92 Y 4.0666 8.1088 119.3198 60.5859 38.8075 177.6606 93 L 4.0856 8.1150 120.8110 58.2232 42.2311 179.0467 94 K 3.9576 8.5355 118.8620 59.1369 31.9723 179.1659 95 W 4.0235 8.2832 128.5868 60.3584 30.4608 177.6799 96 L 3.0303 7.7917 119.0579 58.0833 41.2071 178.7525 97 I 3.7767 7.8519 119.7348 64.3574 36.7784 178.3318 98 E 3.9491 7.7864 118.6080 59.1845 29.4072 178.5590 99 E 4.0013 7.6657 116.1985 56.5928 30.0233 176.5013 100 T 4.7833 6.4513 108.9398 59.1654 71.0260 174.8922 101 K 4.0183 8.6108 123.5137 57.6183 33.2122 176.9069 102 K 4.2510 8.3083 121.0465 56.6890 32.7619 176.1118 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 M 8.39 5.07 0.00 2.19 2.49 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 2 I 8.67 4.90 1.76 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.87 0.00 0.00 3 I 8.77 5.03 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.12 0.97 0.00 0.00 4 V 9.04 4.90 2.25 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 1.13 0.00 0.00 1.19 0.00 0.00 5 Y 9.38 5.45 0.00 2.94 2.83 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 6 T 8.28 5.13 4.13 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 1.08 0.00 0.00 7 T 7.85 4.99 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 1.00 0.00 0.00 8 F 8.73 4.51 0.00 2.71 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 9 P 0.00 4.34 0.00 2.19 2.32 0.00 3.49 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 10 D 7.21 4.58 0.00 3.10 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 11 W 8.71 3.96 0.00 3.39 3.27 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 12 E 8.28 3.94 0.00 2.05 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 2.35 2.37 0.00 13 S 8.64 3.97 0.00 4.01 4.03 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 14 A 7.28 2.00 0.77 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 15 E 8.12 3.87 0.00 2.13 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 2.45 2.67 0.00 16 K 7.80 3.85 0.00 1.86 1.96 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 17 V 7.82 3.53 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 1.16 0.00 0.00 0.99 0.00 0.00 18 V 7.56 3.57 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 0.99 0.00 0.00 0.93 0.00 0.00 19 K 8.33 4.06 0.00 1.85 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.67 7.81 20 T 7.77 3.91 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 1.20 0.00 0.00 21 L 8.18 4.06 0.00 1.86 1.74 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.97 3.98 0.00 1.88 1.72 0.99 0.80 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 23 K 7.95 3.97 0.00 1.85 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 24 E 8.03 4.21 0.00 1.95 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 2.33 2.53 0.00 25 R 8.14 3.83 0.00 1.93 2.06 0.00 3.07 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 26 L 8.20 4.27 0.00 1.73 1.73 0.91 0.64 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 27 I 7.30 4.65 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.97 0.00 0.00 28 A 8.46 4.26 0.71 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 0.00 0.00 *30 A 7.79 4.44 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 31 N 9.42 5.02 0.00 2.71 2.81 0.00 0.00 6.66 6.66 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 32 L 8.79 5.81 0.00 1.68 1.34 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.05 4.92 0.00 1.96 2.11 0.00 3.24 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 34 E 9.13 4.73 0.00 2.04 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 2.44 2.86 0.00 35 H 8.82 4.84 0.00 3.30 3.47 0.00 5.43 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.79 4.79 0.00 1.95 2.13 0.00 3.35 0.00 0.00 3.61 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.00 37 A 9.07 4.87 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 38 F 8.95 5.24 0.00 2.83 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 39 Y 8.27 4.90 0.00 3.16 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 40 W 8.98 4.88 0.00 3.32 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 41 W 9.76 4.75 0.00 3.52 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 42 E 9.37 3.65 0.00 2.03 1.56 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 0.00 1.84 2.32 0.00 43 G 8.59 4.02 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 0.00 0.00 0.00 44 K 8.14 4.71 0.00 1.79 1.70 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.40 7.81 45 I 7.95 3.94 1.51 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.61 0.00 0.00 46 E 8.70 4.33 0.00 1.16 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 2.24 2.16 0.00 47 E 8.18 4.71 0.00 1.61 1.53 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 1.53 1.47 0.00 48 D 8.95 4.83 0.00 2.67 2.49 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 49 K 8.62 4.63 0.00 1.75 1.70 0.00 1.67 0.00 0.00 2.10 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 50 E 9.07 4.77 0.00 1.63 1.69 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 2.26 2.26 0.00 51 V 8.55 4.14 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 -0.24 0.00 0.00 52 G 9.10 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 0.00 0.00 0.00 0.00 53 A 8.95 5.32 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 54 I 9.01 4.77 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 1.01 0.00 0.00 55 L 9.26 5.11 0.00 1.66 1.66 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.42 5.11 0.00 1.86 1.87 0.00 2.00 0.00 0.00 2.04 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.53 7.81 57 T 8.36 4.82 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 1.32 0.00 0.00 58 R 8.48 4.62 0.00 1.93 2.02 0.00 3.40 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 59 E 8.93 4.05 0.00 2.08 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 2.40 2.42 0.00 60 D 8.14 4.61 0.00 2.86 2.83 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 61 L 7.77 4.48 0.00 1.94 1.76 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 W 8.19 4.63 0.00 3.43 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 63 E 8.16 3.45 0.00 1.95 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 2.45 2.32 0.00 64 E 7.98 3.86 0.00 1.99 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 2.34 2.32 0.00 65 L 8.27 3.88 0.00 1.85 1.89 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.69 3.59 0.00 0.79 1.18 0.00 1.55 0.00 0.00 1.08 0.00 0.00 2.29 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.14 1.13 7.81 67 E 7.72 3.75 0.00 1.99 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 2.25 2.25 0.00 68 R 8.09 4.05 0.00 2.01 2.01 0.00 3.29 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 69 I 8.08 3.76 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 0.92 0.00 0.00 70 K 7.72 3.91 0.00 1.95 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.58 7.81 71 E 8.01 4.11 0.00 2.08 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 2.33 2.59 0.00 72 L 7.55 4.35 0.00 1.65 1.74 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.08 4.16 0.00 3.30 3.17 0.00 5.75 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 74 P 0.00 4.42 0.00 2.14 2.12 0.00 3.43 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 75 Y 7.79 4.73 0.00 2.81 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 76 D 8.94 4.47 0.00 2.70 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 77 V 7.35 4.27 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 0.94 0.00 0.00 0.97 0.00 0.00 78 P 0.00 4.46 0.00 1.82 1.50 0.00 3.80 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 1.87 1.80 0.00 79 A 8.14 4.45 1.22 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 0.00 0.00 80 I 8.39 4.68 1.96 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 1.31 0.68 1.02 0.00 0.00 81 I 8.97 4.42 2.17 0.00 0.00 1.00 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 0.81 0.97 0.00 0.00 82 R 8.42 4.71 0.00 0.67 0.85 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.07 0.00 83 I 8.47 4.47 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 0.86 0.00 0.00 84 D 8.72 4.63 0.00 2.50 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 85 V 8.06 4.12 2.26 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 0.79 0.00 0.00 0.94 0.00 0.00 86 D 8.93 4.47 0.00 2.70 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 87 D 7.63 4.56 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.53 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 0.85 0.00 0.00 1.01 0.00 0.00 89 N 8.62 4.49 0.00 2.98 3.01 0.00 0.00 6.00 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 90 E 8.96 4.00 0.00 2.07 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 0.00 2.45 2.46 0.00 91 D 8.23 4.44 0.00 2.75 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 92 Y 8.11 4.07 0.00 3.06 3.28 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 93 L 8.12 4.09 0.00 1.97 1.93 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.54 3.96 0.00 2.05 1.89 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.71 7.81 95 W 8.28 4.02 0.00 3.32 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 96 L 7.79 3.03 0.00 1.54 1.78 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.85 3.78 1.96 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 1.50 1.08 0.88 0.00 0.00 98 E 7.79 3.95 0.00 1.97 1.94 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 2.31 2.64 0.00 99 E 7.67 4.00 0.00 1.26 1.63 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 1.56 1.55 0.00 100 T 6.45 4.78 4.18 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 1.14 0.00 0.00 101 K 8.61 4.02 0.00 1.74 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.42 7.81 102 K 8.31 4.25 0.00 1.57 1.66 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.