NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3082 8.1749 117.3571 63.5753 69.8501 172.7591 6 Y 4.7491 8.6553 124.2030 56.0522 39.5408 171.7935 7 E 4.8129 9.0113 123.3261 54.5340 33.5769 174.7692 8 I 3.7807 7.9355 120.2253 58.9126 38.9518 175.8377 9 S 4.3691 8.2426 123.4163 58.0502 63.9528 174.7234 10 S 4.6109 9.0204 123.0017 61.9427 62.5969 176.5527 11 A 4.4008 7.9686 124.2878 55.0013 18.1678 179.4249 12 E 3.8111 8.0737 116.6291 59.4522 29.3884 179.2301 13 W 4.3792 8.5135 117.9591 60.0054 29.1541 177.9123 14 E 4.3121 7.9709 117.7990 59.5251 29.2095 179.5177 15 V 3.5317 8.0143 114.8018 64.2845 31.4288 177.0473 *17 N 5.1967 8.1942 117.4771 53.3459 40.3483 176.8407 18 I 3.9191 7.9234 118.0827 64.3852 37.7544 177.7900 19 I 3.9866 7.7791 120.7292 64.2772 37.1485 179.4538 20 W 4.4276 7.1555 118.5777 57.2374 28.4980 177.0704 *22 K 4.2232 8.0775 115.0814 55.2269 33.2896 176.7714 23 K 4.1381 8.2468 121.2769 57.7791 31.5509 174.4407 24 Y 5.4991 7.3581 113.6861 56.6534 40.8614 174.5816 25 A 4.5871 8.1919 119.8802 51.5687 23.4921 176.2231 26 S 4.6715 8.4615 115.6413 56.7903 65.8157 173.5750 27 A 3.9393 9.1037 119.5675 56.8231 17.5832 179.3030 28 N 4.2820 8.0642 112.1488 55.7782 38.8974 176.8354 29 N 4.2329 8.4160 118.1427 57.0071 39.1650 176.7282 30 I 3.9195 8.0598 120.8098 64.3375 37.3195 177.9555 31 I 3.6985 7.3532 120.6893 64.8892 36.8067 177.8060 32 E 3.9041 8.1235 117.6164 59.8910 29.4742 179.2975 33 E 4.1587 8.1125 116.3290 58.2424 29.8244 178.6775 34 I 4.1200 7.3941 119.5010 62.9479 39.0755 176.4455 35 Q 4.6003 8.3822 118.8052 56.1948 26.2555 176.5669 *37 Q 4.1956 7.6387 117.3214 55.4631 31.2886 173.8957 38 K 4.3397 7.7277 114.8620 55.4171 36.2780 175.9039 39 D 4.5372 7.4954 118.4247 51.9381 41.0713 173.7690 40 W 5.3142 7.8242 122.6291 53.3923 33.6107 175.5736 41 S 4.4464 8.4888 113.1657 57.5612 63.6647 172.9305 42 P 4.3859 0.0000 0.0000 64.5804 31.1792 178.5667 43 K 4.1223 7.8780 117.2289 58.7794 32.2393 179.0454 44 T 3.8273 7.6590 114.9706 66.3617 68.6098 176.5332 45 I 3.8313 8.0726 121.9935 64.5619 37.2518 178.3403 46 R 3.8187 7.5919 118.5470 60.0165 29.8597 179.1473 47 T 3.8421 7.6902 114.5612 66.6025 68.2992 176.7210 48 L 3.8904 8.0204 120.9863 57.2528 41.4798 179.6682 49 I 3.5547 7.2790 119.6539 64.3831 37.3418 177.8034 50 T 3.8582 8.0360 116.8332 66.9498 68.2754 176.2763 51 R 3.8025 8.1180 119.9542 59.6946 30.1259 179.1509 52 L 3.7328 7.4754 117.9179 57.2344 41.1270 179.0766 53 Y 3.9943 8.2011 120.5244 60.5591 38.5302 177.9993 54 K 3.8220 8.3535 118.5062 59.3715 32.2933 179.3914 55 K 2.7870 7.6745 117.6966 56.7646 32.8496 176.7760 56 G 3.4910 7.5415 105.4128 46.2395 0.0000 173.3554 57 F 4.5517 8.7435 116.8340 57.3522 42.0868 177.0716 58 I 5.0493 7.5302 110.0927 59.5090 41.3314 172.9455 59 D 5.0123 8.5440 121.0795 53.0537 45.3464 173.6255 60 R 4.3420 7.8745 117.3368 53.5395 32.5830 175.3780 61 K 3.8297 7.0994 113.4659 55.6267 34.7437 174.1872 62 K 4.7981 8.2701 130.1916 55.8983 29.6317 175.8841 63 D 4.4706 8.0656 122.2175 56.4603 43.1176 176.1645 64 N 4.2785 8.4207 116.2656 54.4847 37.3227 174.8653 65 K 4.6543 5.7508 114.3531 55.4678 34.5710 174.3738 66 I 4.8331 7.2850 110.2382 59.0867 41.1501 174.8341 67 F 4.3701 8.8999 121.7590 57.8622 39.8529 174.8508 68 Q 4.4262 8.2034 119.8950 54.4561 32.1842 174.0487 69 Y 5.4137 9.5103 122.3794 56.2989 40.4337 174.3782 70 Y 5.3534 7.5313 118.6684 54.1499 42.0496 174.4093 71 S 4.6402 9.0585 115.3277 58.8523 63.0465 173.3091 72 L 4.8489 9.0107 121.8087 55.1340 44.0674 177.8158 73 V 4.3501 7.8245 110.0804 59.4048 33.8455 175.5303 74 E 4.1607 8.5934 122.9371 56.3960 30.5207 175.8792 75 E 2.5400 8.9965 125.2727 59.8957 29.1914 178.3841 76 S 4.0065 7.9967 113.1790 62.0537 63.4013 176.5019 77 D 4.4136 8.0734 121.5600 57.1260 40.5135 178.2936 78 I 4.1572 7.8126 118.7193 63.4030 38.1581 177.9770 79 K 4.2112 8.4247 119.6957 59.7636 31.9921 178.3626 80 Y 4.2679 8.0686 119.7836 60.9902 38.1196 178.3219 81 K 3.7562 7.8444 118.8525 59.7533 32.2471 178.8894 82 T 4.1892 8.4679 116.4720 66.4524 68.5186 177.1774 83 S 4.2342 8.5018 117.5900 61.6027 62.3900 176.5516 84 K 3.8756 8.0605 122.2309 59.4644 31.5144 178.3785 85 N 4.3629 7.5689 115.4781 57.3118 39.2026 175.8839 86 F 4.2024 9.1674 122.5998 60.0295 39.2726 177.1072 87 I 3.4507 8.2125 118.5197 64.6058 37.2377 177.5353 88 N 4.2751 7.5628 115.0485 56.5785 38.4744 177.1890 89 K 4.1162 8.5433 119.8590 60.1076 32.9566 177.6110 90 V 3.5140 7.2832 119.2916 64.4040 31.8096 175.0079 91 Y 4.2096 7.6446 117.8791 57.5180 38.7471 176.3799 92 K 4.0940 8.9199 125.2653 59.0464 32.8551 177.8987 93 G 3.8780 8.1256 108.9029 46.3963 0.0000 173.5169 94 G 3.8951 7.9878 107.5609 45.6559 0.0000 172.7251 95 F 3.8830 8.9356 118.3383 62.3836 38.9305 176.7437 96 N 4.0672 8.6487 114.6168 56.4489 38.0365 176.9091 97 S 3.9667 7.9363 117.0378 61.2707 62.8787 176.6957 98 L 3.1727 6.8222 122.7786 57.6362 41.8218 178.5937 99 V 3.0650 6.8224 118.0060 65.9776 31.1836 177.7021 100 L 3.9685 8.1505 119.7843 57.5055 41.4164 177.6308 101 N 4.7648 8.8724 116.6623 54.9019 39.1269 176.6403 102 F 4.0589 8.3426 119.4841 60.7523 39.1787 177.8648 103 V 3.8774 7.8496 117.3683 65.6107 31.1987 177.4908 104 E 3.9933 7.8327 117.2966 58.1577 29.4950 177.2851 105 K 4.3399 7.1068 116.8734 58.6181 32.7802 177.0185 106 E 3.7046 7.9635 115.7594 57.8762 26.8018 176.1225 107 D 4.7338 8.4775 118.2890 53.9805 41.5341 175.1064 108 L 4.8067 7.4788 116.8217 52.5604 44.3853 176.0559 109 S 4.7225 8.6137 118.0851 56.5937 64.7665 174.9159 110 Q 4.1173 8.8085 123.5204 59.9170 28.2486 179.0810 111 D 4.3845 8.0118 118.5549 56.9855 41.0422 177.9810 112 E 4.1908 8.5703 119.4516 59.3203 29.5302 178.9376 113 I 3.7276 7.8563 119.2389 64.3104 36.8830 177.9168 114 E 3.7588 7.9880 120.1765 59.3297 29.3141 178.0940 115 E 3.9030 7.8969 119.2918 59.4849 29.4540 178.6723 116 L 4.0411 7.4069 118.5824 58.0767 41.6941 179.4387 117 R 4.0403 7.6290 117.6509 59.6674 29.8805 178.5129 118 N 4.6560 7.5171 109.4992 54.1771 38.2669 175.6388 119 I 4.3561 8.2362 122.4907 61.7201 39.3677 176.2698 120 L 4.5750 8.0509 119.4322 54.4881 41.4791 176.4601 121 N 4.5613 7.7703 122.2035 53.6183 39.6193 174.2569 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 5 T 8.17 4.31 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 1.29 0.00 0.00 6 Y 8.66 4.75 0.00 3.21 2.96 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 7 E 9.01 4.81 0.00 2.01 1.95 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 2.34 2.36 0.00 8 I 7.94 3.78 1.04 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.07 0.64 0.00 0.00 9 S 8.24 4.37 0.00 3.85 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 10 S 9.02 4.61 0.00 4.15 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 11 A 7.97 4.40 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 E 8.07 3.81 0.00 2.03 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 2.17 2.23 0.00 13 W 8.51 4.38 0.00 3.48 3.41 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 14 E 7.97 4.31 0.00 2.45 2.20 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 2.56 2.51 0.00 15 V 8.01 3.53 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 0.84 0.00 0.00 0.89 0.00 0.00 *17 N 8.19 5.20 0.00 3.14 3.14 0.00 0.00 7.05 7.32 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 18 I 7.92 3.92 2.01 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 1.68 0.77 0.95 0.00 0.00 19 I 7.78 3.99 1.64 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 1.41 0.84 0.92 0.00 0.00 20 W 7.16 4.43 0.00 3.64 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 *22 K 8.08 4.22 0.00 1.88 1.97 0.00 1.96 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.64 7.81 23 K 8.25 4.14 0.00 2.05 1.98 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.57 7.81 24 Y 7.36 5.50 0.00 2.76 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 25 A 8.19 4.59 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 26 S 8.46 4.67 0.00 4.06 4.06 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 0.00 0.00 0.00 27 A 9.10 3.94 1.35 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 0.00 0.00 28 N 8.06 4.28 0.00 2.76 2.90 0.00 0.00 6.47 6.92 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 29 N 8.42 4.23 0.00 2.76 2.95 0.00 0.00 7.29 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 30 I 8.06 3.92 2.13 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 1.54 0.92 0.91 0.00 0.00 31 I 7.35 3.70 2.05 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 1.55 1.08 0.95 0.00 0.00 32 E 8.12 3.90 0.00 1.95 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 2.37 2.53 0.00 33 E 8.11 4.16 0.00 2.16 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 2.37 2.53 0.00 34 I 7.39 4.12 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.85 0.91 0.00 0.00 35 Q 8.38 4.60 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 *37 Q 7.64 4.20 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 6.78 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 38 K 7.73 4.34 0.00 1.22 0.74 0.00 0.86 0.00 0.00 1.25 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 0.97 7.81 39 D 7.50 4.54 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 5.31 0.00 3.37 2.88 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 41 S 8.49 4.45 0.00 3.93 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 42 P 0.00 4.39 0.00 2.20 2.09 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 43 K 7.88 4.12 0.00 1.77 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.59 7.81 44 T 7.66 3.83 4.44 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 0.69 0.00 0.00 45 I 8.07 3.83 1.91 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 1.88 1.18 0.97 0.00 0.00 46 R 7.59 3.82 0.00 1.93 1.94 0.00 3.09 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 47 T 7.69 3.84 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 1.10 0.00 0.00 48 L 8.02 3.89 0.00 1.77 1.56 0.56 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.28 3.55 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.08 0.00 0.00 50 T 8.04 3.86 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 1.24 0.00 0.00 51 R 8.12 3.80 0.00 1.83 1.84 0.00 3.19 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 52 L 7.48 3.73 0.00 1.56 1.51 0.57 0.19 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 53 Y 8.20 3.99 0.00 2.94 3.06 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 0.00 0.00 0.00 54 K 8.35 3.82 0.00 1.58 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.77 7.81 55 K 7.67 2.79 0.00 1.53 1.68 0.00 1.27 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.75 1.36 7.81 56 G 7.54 3.49 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 0.00 0.00 0.00 57 F 8.74 4.55 0.00 2.77 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 58 I 7.53 5.05 1.91 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.82 0.00 0.00 59 D 8.54 5.01 0.00 2.44 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 0.00 0.00 0.00 0.00 60 R 7.87 4.34 0.00 0.87 1.31 0.00 2.53 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.07 0.00 61 K 7.10 3.83 0.00 1.94 1.60 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.32 7.81 62 K 8.27 4.80 0.00 1.54 1.64 0.00 1.79 0.00 0.00 0.88 0.00 0.00 3.28 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 63 D 8.07 4.47 0.00 2.66 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 64 N 8.42 4.28 0.00 2.75 2.56 0.00 0.00 6.64 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 65 K 5.75 4.65 0.00 1.70 1.71 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.40 7.81 66 I 7.29 4.83 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.91 0.00 0.00 67 F 8.90 4.37 0.00 2.58 2.29 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 0.00 68 Q 8.20 4.43 0.00 1.42 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 69 Y 9.51 5.41 0.00 2.88 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 70 Y 7.53 5.35 0.00 3.09 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 71 S 9.06 4.64 0.00 4.01 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 0.00 72 L 9.01 4.85 0.00 1.56 1.65 0.86 1.06 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 73 V 7.82 4.35 2.20 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 0.57 0.00 0.00 1.18 0.00 0.00 74 E 8.59 4.16 0.00 2.03 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 2.39 2.30 0.00 75 E 9.00 2.54 0.00 1.16 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 1.63 1.47 0.00 76 S 8.00 4.01 0.00 4.01 4.04 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 77 D 8.07 4.41 0.00 2.88 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 78 I 7.81 4.16 2.19 0.00 0.00 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 1.83 1.76 1.37 0.00 0.00 79 K 8.42 4.21 0.00 1.87 1.89 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.27 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.74 1.66 7.81 80 Y 8.07 4.27 0.00 2.94 3.12 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 81 K 7.84 3.76 0.00 2.13 2.06 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 82 T 8.47 4.19 4.44 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 1.39 0.00 0.00 83 S 8.50 4.23 0.00 3.91 4.04 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 84 K 8.06 3.88 0.00 1.64 1.75 0.00 1.42 0.00 0.00 1.19 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 1.38 7.81 85 N 7.57 4.36 0.00 2.84 3.14 0.00 0.00 7.16 6.90 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 86 F 9.17 4.20 0.00 3.11 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 87 I 8.21 3.45 2.04 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 1.62 1.39 0.92 0.00 0.00 88 N 7.56 4.28 0.00 2.97 2.91 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 89 K 8.54 4.12 0.00 1.85 2.13 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.41 7.81 90 V 7.28 3.51 1.50 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 0.13 0.00 0.00 0.35 0.00 0.00 91 Y 7.64 4.21 0.00 2.88 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 92 K 8.92 4.09 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.38 7.81 93 G 8.13 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 94 G 7.99 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 95 F 8.94 3.88 0.00 3.05 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 96 N 8.65 4.07 0.00 2.86 2.77 0.00 0.00 6.64 7.57 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 97 S 7.94 3.97 0.00 3.84 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 98 L 6.82 3.17 0.00 0.50 1.21 0.66 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 99 V 6.82 3.07 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 0.70 0.00 0.00 0.32 0.00 0.00 100 L 8.15 3.97 0.00 1.74 1.78 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.87 4.76 0.00 3.13 3.21 0.00 0.00 7.04 5.67 0.00 0.00 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 F 8.34 4.06 0.00 3.17 3.09 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 0.00 103 V 7.85 3.88 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 1.13 0.00 0.00 1.04 0.00 0.00 104 E 7.83 3.99 0.00 2.28 2.15 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 2.35 2.41 0.00 105 K 7.11 4.34 0.00 1.51 1.72 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.49 7.81 106 E 7.96 3.70 0.00 2.10 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 2.28 2.24 0.00 107 D 8.48 4.73 0.00 2.36 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 0.00 108 L 7.48 4.81 0.00 1.70 1.56 0.97 0.86 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 0.00 109 S 8.61 4.72 0.00 4.04 3.98 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 0.00 110 Q 8.81 4.12 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 111 D 8.01 4.38 0.00 2.69 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 0.00 112 E 8.57 4.19 0.00 2.10 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 2.36 0.00 113 I 7.86 3.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.01 0.92 0.00 0.00 114 E 7.99 3.76 0.00 2.20 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 0.00 2.31 2.36 0.00 115 E 7.90 3.90 0.00 2.03 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 0.00 2.32 2.39 0.00 116 L 7.41 4.04 0.00 1.74 1.73 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.63 4.04 0.00 1.98 2.00 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 118 N 7.52 4.66 0.00 2.85 2.85 0.00 0.00 6.98 7.33 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 0.00 119 I 8.24 4.36 1.98 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 1.53 0.87 0.91 0.00 0.00 120 L 8.05 4.58 0.00 1.70 1.67 0.94 0.85 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 0.00 121 N 7.77 4.56 0.00 2.63 2.63 0.00 0.00 6.93 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 * Residues marked with a * may have inaccurate shift predictions.