NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3254 8.3344 116.7965 58.0625 64.8416 173.3454 8 C 4.3922 7.9271 122.0058 57.0853 31.4900 170.5434 9 I 4.2686 8.3430 128.0573 59.6706 38.7550 175.1005 10 Q 4.5680 8.5563 126.7643 55.1715 30.2389 175.5899 11 F 4.6521 8.6851 123.9661 55.0907 38.1540 175.7950 12 T 3.9105 8.4423 115.8808 64.9439 68.7692 176.9700 13 R 4.0432 8.0236 120.6364 58.4933 29.9989 177.5680 14 H 4.4205 8.7251 119.6867 58.8032 29.7638 176.8947 15 A 3.8113 7.5632 123.2542 55.1609 18.2888 179.7921 16 S 4.1810 7.9826 112.0148 61.1902 62.6898 176.4221 17 D 4.2845 7.9306 122.9234 57.3872 40.5901 178.2643 18 V 3.5048 8.3180 119.2605 65.9263 31.3677 177.3598 19 L 3.8347 8.2706 120.1047 58.5528 41.4586 179.1542 20 L 3.9874 7.7125 119.2573 58.0282 42.1198 178.6180 21 N 4.4429 8.5491 117.0868 56.1833 38.5300 177.3726 22 L 4.0843 8.3759 120.9314 57.6725 41.6299 179.0870 23 N 4.3694 8.6488 117.5170 56.5037 38.7921 177.1331 24 R 3.8824 7.6766 118.3572 59.2742 30.2316 178.8686 25 L 3.9693 7.7587 118.2137 57.9545 41.6074 179.5520 26 R 3.8797 7.8628 118.2408 59.4942 29.6683 178.7068 27 S 4.1861 7.8071 113.0652 60.5914 63.1097 175.6532 28 R 4.3932 7.8993 119.3300 54.4466 30.4366 175.3863 29 D 4.2301 7.5490 116.5468 55.1111 39.6887 173.9913 30 I 4.0704 8.1526 119.4297 60.7844 37.2527 176.4030 31 L 3.8165 8.7355 124.4576 55.4480 38.8979 174.8470 32 T 3.8776 7.2903 110.3339 61.8454 68.9644 173.7986 33 D 4.9078 8.0810 123.7789 52.1815 40.3953 175.4174 34 V 4.6337 7.0001 115.9385 62.3161 34.3923 171.5303 35 V 4.8821 8.2258 121.4573 61.3024 35.2159 174.0279 36 I 4.9321 8.7670 128.7183 59.6264 38.8524 175.1087 37 V 4.2639 8.3666 128.3347 63.0330 32.0525 176.6202 38 V 4.0868 8.4217 124.3840 64.1014 34.8129 175.2529 *41 E 4.1456 8.0388 117.8174 56.1917 31.2745 174.8310 42 Q 4.9636 8.1478 119.6779 54.1586 31.9235 175.3385 43 F 4.7736 8.7357 120.8342 55.4455 42.4057 174.5742 44 R 4.5294 8.7466 123.4596 56.5468 30.8256 176.1311 45 A 4.5500 8.6873 123.8114 51.7968 23.8005 174.0298 46 H 5.1348 9.3814 115.7736 54.2525 30.2129 176.4686 47 K 3.2762 9.2626 125.5640 59.8611 31.7623 179.3387 48 T 3.9164 7.6569 109.2161 64.4829 68.5101 177.0344 49 V 3.3932 7.5751 120.5815 65.5377 31.4613 177.6568 50 L 3.9511 7.7986 118.7104 58.3180 41.2327 179.5270 51 M 4.3387 8.2106 117.0722 58.4808 31.9657 178.4546 52 A 4.2021 8.1702 119.9834 54.5824 18.6194 178.6027 53 C 4.5606 7.6614 112.9087 59.7077 29.1612 174.1107 54 S 4.6191 7.8531 115.4590 55.4265 64.9346 174.8162 55 G 3.6571 8.8470 114.9020 47.5446 0.0000 175.1291 56 L 3.7911 7.5246 122.2080 58.1454 41.9885 179.1065 57 F 4.1568 7.7693 116.9336 60.5751 38.7597 176.8133 58 Y 4.0857 8.6212 119.6786 61.0777 38.2198 178.7834 59 S 4.1722 7.8506 114.7677 61.5110 63.0754 176.1910 60 I 3.6567 7.4433 121.3898 64.6349 36.9875 178.2312 61 F 4.6865 7.9142 116.6633 58.8177 40.2436 177.0211 62 T 4.3937 7.1143 112.0838 59.4705 65.6923 175.5866 *68 N 4.5066 7.5726 116.8867 53.3618 39.3147 175.0515 69 L 4.2525 8.3527 122.9691 54.9166 42.0849 177.7303 70 S 4.6017 8.5537 114.4811 59.3687 64.8383 173.7205 71 V 4.7834 7.6546 120.0558 61.5571 34.3844 174.1626 72 I 4.3617 8.8388 129.8091 59.9931 38.8761 175.0514 73 N 4.6474 8.7171 126.2285 51.7134 38.5962 175.2783 74 L 4.3770 7.9746 122.9949 54.0347 43.1385 176.8005 75 D 4.3718 8.3336 120.7108 53.0253 41.0221 174.5538 76 P 4.0524 0.0000 0.0000 63.0430 29.9998 174.9200 *78 I 3.7363 7.8935 124.1521 61.1290 38.0826 176.1525 79 N 4.5573 8.2685 125.2006 52.9660 40.4260 174.2221 *81 E 4.3925 8.6556 113.7764 56.3227 31.7734 178.1123 82 G 3.6128 8.0863 107.1243 47.6125 0.0000 175.6218 83 F 4.0600 8.1307 122.5724 61.0982 39.4747 176.4486 84 C 3.5728 8.0124 117.8527 62.7506 31.2262 175.6630 85 I 3.7457 7.8631 121.0980 64.2232 36.6147 178.4578 86 L 4.0104 7.6823 120.0029 57.5723 41.1879 179.3016 87 L 3.8420 7.8259 119.7471 58.0420 42.1399 178.3571 88 D 4.5432 8.2798 119.1189 57.4283 40.7140 178.5650 89 F 4.2780 8.4000 121.0314 61.6524 39.1621 176.8404 90 M 3.7314 8.1757 117.3217 57.9243 31.8489 177.3672 91 Y 4.5142 7.5611 113.5101 57.9442 38.7874 176.2849 92 T 4.4317 7.2270 107.3826 60.4131 70.9483 175.2187 93 S 3.6761 8.1465 115.9107 58.2249 61.3590 169.2876 94 R 4.3898 7.7325 120.2047 54.4727 30.2405 175.7415 95 L 4.3882 8.6054 126.2099 53.7122 42.1254 175.7146 96 N 4.6984 8.5830 126.2774 52.0384 38.1873 173.0849 97 L 4.5591 8.1043 124.5128 53.0767 43.3312 176.5247 98 R 4.6645 8.0754 120.5508 53.6833 33.2603 175.5039 99 E 3.8424 8.6969 118.8747 60.2303 29.5169 178.5204 100 G 3.7393 7.9506 107.4886 47.4239 0.0000 173.5319 101 N 4.9124 7.8462 116.3052 52.9257 39.5673 176.3179 102 I 3.7391 7.7041 120.4704 64.3243 38.0333 177.6662 103 M 4.0130 8.0219 119.0476 58.1379 31.8398 178.4539 104 A 3.9683 7.9007 120.5630 54.9880 18.7142 179.4533 105 V 3.5071 7.6279 116.5669 66.5041 31.6955 177.9092 106 M 3.9603 8.6034 117.8559 58.6739 32.1304 178.0690 107 A 4.0529 8.1994 120.9747 55.4788 18.5448 179.7983 108 T 4.0175 8.1662 114.0806 66.4583 68.4911 176.9852 109 A 4.0496 8.0476 123.0541 55.2064 18.1932 179.2801 110 M 3.9686 7.9670 116.3401 58.8432 32.0838 177.8078 111 Y 4.1418 7.7532 118.3711 60.8298 38.9853 177.8988 112 L 3.8096 8.4879 119.1710 55.1625 41.6493 177.1720 113 Q 3.2531 7.4992 116.7123 57.8752 26.0429 175.0199 114 M 4.4430 8.1680 119.8659 53.6962 32.0229 175.5412 115 E 3.8969 8.2751 125.0869 59.4285 30.0180 177.8850 116 H 4.2488 8.0279 115.7818 58.5539 28.7787 177.8308 117 V 3.4108 7.6558 119.9478 65.6233 31.3662 177.8688 118 V 3.5096 7.3934 117.7042 66.3752 31.0190 177.5374 119 D 4.4021 8.2343 118.4751 57.9641 40.5125 179.3029 120 T 3.8385 7.6344 115.8544 66.4569 68.5682 176.8068 121 C 4.0995 8.2298 118.8503 62.9158 27.9915 176.2742 122 R 3.9464 7.9896 119.5839 59.1689 29.3819 179.2852 123 K 4.0300 7.5155 119.4429 60.0985 32.1744 179.6662 *124 F 4.1878 7.5323 119.5354 61.9287 37.9584 178.6814 125 I 4.2319 7.2696 119.0275 63.3447 37.1097 176.9483 126 K 4.1302 7.5237 122.7405 56.0782 31.5232 177.2749 127 A 4.2423 8.2573 126.1981 52.2747 19.2747 175.3660 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 7 S 8.33 4.33 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.93 4.39 0.00 2.99 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 9 I 8.34 4.27 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.73 0.00 0.00 10 Q 8.56 4.57 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 11 F 8.69 4.65 0.00 3.01 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 12 T 8.44 3.91 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 13 R 8.02 4.04 0.00 1.98 2.04 0.00 3.25 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 14 H 8.73 4.42 0.00 3.27 3.44 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.56 3.81 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 16 S 7.98 4.18 0.00 4.04 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 17 D 7.93 4.28 0.00 2.90 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 18 V 8.32 3.50 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 0.93 0.00 0.00 0.66 0.00 0.00 19 L 8.27 3.83 0.00 1.82 1.63 0.80 0.32 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 20 L 7.71 3.99 0.00 2.01 1.64 0.93 0.82 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 21 N 8.55 4.44 0.00 2.88 2.84 0.00 0.00 6.94 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 22 L 8.38 4.08 0.00 1.87 1.85 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.65 4.37 0.00 3.11 2.84 0.00 0.00 7.12 8.41 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 24 R 7.68 3.88 0.00 2.08 1.96 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 25 L 7.76 3.97 0.00 1.92 1.77 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.86 3.88 0.00 1.51 1.66 0.00 2.68 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.00 27 S 7.81 4.19 0.00 4.05 4.11 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 0.00 0.00 0.00 28 R 7.90 4.39 0.00 1.77 1.97 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 29 D 7.55 4.23 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 30 I 8.15 4.07 1.89 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 1.30 0.93 0.92 0.00 0.00 31 L 8.74 3.82 0.00 1.83 1.83 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.29 3.88 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 1.03 0.00 0.00 33 D 8.08 4.91 0.00 2.70 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 34 V 7.00 4.63 1.92 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 0.76 0.00 0.00 1.12 0.00 0.00 35 V 8.23 4.88 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 1.03 0.00 0.00 0.94 0.00 0.00 36 I 8.77 4.93 1.99 0.00 0.00 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 1.35 1.53 0.72 0.00 0.00 37 V 8.37 4.26 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 0.94 0.00 0.00 0.98 0.00 0.00 38 V 8.42 4.09 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 0.99 0.00 0.00 0.51 0.00 0.00 *41 E 8.04 4.15 0.00 2.02 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 2.30 2.36 0.00 42 Q 8.15 4.96 0.00 1.73 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 43 F 8.74 4.77 0.00 3.35 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 44 R 8.75 4.53 0.00 1.70 1.85 0.00 3.20 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 45 A 8.69 4.55 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 46 H 9.38 5.13 0.00 3.23 3.22 0.00 5.65 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 47 K 9.26 3.28 0.00 1.54 1.31 0.00 1.51 0.00 0.00 1.34 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.78 7.81 48 T 7.66 3.92 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 1.15 0.00 0.00 49 V 7.58 3.39 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 0.03 0.00 0.00 0.70 0.00 0.00 50 L 7.80 3.95 0.00 1.74 1.00 0.49 0.61 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 51 M 8.21 4.34 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.10 2.80 0.00 52 A 8.17 4.20 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 53 C 7.66 4.56 0.00 3.20 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 54 S 7.85 4.62 0.00 3.95 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 55 G 8.85 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.52 3.79 0.00 1.39 1.20 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.77 4.16 0.00 3.57 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 58 Y 8.62 4.09 0.00 3.16 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 59 S 7.85 4.17 0.00 4.04 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 60 I 7.44 3.66 1.21 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.38 0.44 0.00 0.00 61 F 7.91 4.69 0.00 3.00 3.01 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 62 T 7.11 4.39 4.11 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 0.00 0.00 0.50 0.00 0.00 *68 N 7.57 4.51 0.00 2.80 2.98 0.00 0.00 7.26 7.85 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 69 L 8.35 4.25 0.00 1.71 1.68 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.55 4.60 0.00 3.91 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 71 V 7.65 4.78 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 0.89 0.00 0.00 0.96 0.00 0.00 72 I 8.84 4.36 2.10 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 1.51 1.66 1.00 0.00 0.00 73 N 8.72 4.65 0.00 2.61 2.80 0.00 0.00 7.21 7.85 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 74 L 7.97 4.38 0.00 1.51 1.60 0.93 1.08 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 75 D 8.33 4.37 0.00 2.43 2.51 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 0.00 76 P 0.00 4.05 0.00 2.13 2.09 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 *78 I 7.89 3.74 1.79 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.96 0.00 0.00 79 N 8.27 4.56 0.00 2.73 2.76 0.00 0.00 6.88 7.65 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 *81 E 8.66 4.39 0.00 2.27 2.31 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 2.43 2.35 0.00 82 G 8.09 3.61 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 0.00 0.00 0.00 83 F 8.13 4.06 0.00 3.13 2.89 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 84 C 8.01 3.57 0.00 3.11 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 85 I 7.86 3.75 1.97 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 1.53 0.74 0.93 0.00 0.00 86 L 7.68 4.01 0.00 1.63 1.60 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.83 3.84 0.00 0.92 1.53 1.06 1.50 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 88 D 8.28 4.54 0.00 2.94 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 89 F 8.40 4.28 0.00 3.14 3.29 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 90 M 8.18 3.73 0.00 1.86 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.68 0.00 91 Y 7.56 4.51 0.00 2.79 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 92 T 7.23 4.43 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 1.31 0.00 0.00 93 S 8.15 3.68 0.00 4.01 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 94 R 7.73 4.39 0.00 1.86 1.93 0.00 3.17 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 95 L 8.61 4.39 0.00 1.60 1.60 0.66 0.76 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 96 N 8.58 4.70 0.00 2.74 2.76 0.00 0.00 7.20 7.78 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 97 L 8.10 4.56 0.00 1.66 1.56 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.08 4.66 0.00 1.83 1.80 0.00 3.17 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 99 E 8.70 3.84 0.00 1.90 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 0.00 2.30 2.40 0.00 100 G 7.95 3.74 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 0.00 0.00 0.00 101 N 7.85 4.91 0.00 2.77 2.81 0.00 0.00 6.47 7.88 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 0.00 102 I 7.70 3.74 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 0.91 0.00 0.00 103 M 8.02 4.01 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 104 A 7.90 3.97 1.37 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 0.00 0.00 105 V 7.63 3.51 2.21 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 0.92 0.00 0.00 0.96 0.00 0.00 106 M 8.60 3.96 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 107 A 8.20 4.05 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 0.00 108 T 8.17 4.02 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 1.42 0.00 0.00 109 A 8.05 4.05 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 0.00 110 M 7.97 3.97 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 111 Y 7.75 4.14 0.00 2.95 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 0.00 112 L 8.49 3.81 0.00 1.88 1.72 1.22 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.50 3.25 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 114 M 8.17 4.44 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.79 0.00 115 E 8.28 3.90 0.00 1.99 1.75 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 2.26 2.50 0.00 116 H 8.03 4.25 0.00 3.32 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.66 3.41 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 0.82 0.00 0.00 0.21 0.00 0.00 118 V 7.39 3.51 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 0.95 0.00 0.00 0.94 0.00 0.00 119 D 8.23 4.40 0.00 2.89 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 0.00 120 T 7.63 3.84 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 1.19 0.00 0.00 121 C 8.23 4.10 0.00 3.11 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 0.00 122 R 7.99 3.95 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 123 K 7.52 4.03 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 *124 F 7.53 4.19 0.00 2.33 2.21 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 0.00 125 I 7.27 4.23 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 0.91 0.00 0.00 126 K 7.52 4.13 0.00 1.69 1.78 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.60 7.81 127 A 8.26 4.24 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 * Residues marked with a * may have inaccurate shift predictions.