NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7314 8.1633 120.2778 55.2587 34.2751 173.9164 2 K 4.8313 8.8579 120.0103 53.7654 36.8903 173.4629 3 K 4.8910 9.9168 126.5726 55.2128 34.6808 174.7262 4 I 4.7966 8.7935 128.5957 59.5715 39.6032 174.0368 5 E 5.0889 9.4040 128.6530 54.3629 32.1690 174.1974 6 A 5.0261 9.1069 129.5007 50.1602 22.1950 174.6209 7 I 4.8677 8.6567 124.4038 59.8854 39.1327 175.1700 8 I 5.1171 8.6485 119.8765 58.6032 41.9148 175.0221 9 R 4.2894 8.3074 121.2977 55.6236 30.7986 176.3072 10 P 4.2852 0.0000 0.0000 65.6631 31.2064 178.6608 11 F 4.5246 8.2240 110.7914 58.6034 38.2572 176.4190 12 K 3.8953 7.3756 118.7513 56.5743 31.8742 178.0228 13 L 3.8260 7.5255 122.0419 58.3247 41.9689 178.0965 14 D 4.3325 8.1122 117.0457 57.7305 41.0655 178.0974 15 E 3.9673 8.1038 118.2958 59.2729 29.4257 179.4844 16 V 3.5073 7.7337 118.3413 65.7173 31.5508 177.9371 17 K 3.8728 8.2623 119.6754 59.5761 31.9711 178.6925 18 I 3.6458 7.8549 119.6749 64.4205 37.1845 178.1746 19 A 3.9723 8.1541 121.6412 55.1926 18.0422 179.7263 20 L 3.8921 8.3115 117.7533 57.8982 41.8454 179.7151 21 V 3.6001 7.9526 118.3488 66.3518 31.2121 177.8273 22 N 4.3674 8.2264 114.6299 56.0630 38.4520 176.5251 23 A 4.2838 7.6198 119.6139 52.6697 18.5868 178.0507 24 G 3.8784 7.6962 105.6616 45.1271 0.0000 174.1107 25 I 3.8819 7.0947 112.6409 60.7104 37.9695 176.7651 26 V 3.7988 8.2970 115.5553 63.4002 31.9279 176.0717 27 G 4.0165 7.5825 106.1866 45.5492 0.0000 171.5838 28 M 4.9962 8.2100 115.5831 54.4575 34.3862 174.1035 29 T 4.7607 8.8801 115.6203 61.8388 72.5158 173.4258 30 V 5.0854 8.3006 124.1370 61.5204 35.0135 174.2261 31 S 4.6666 8.7957 119.2931 57.3223 66.8414 172.4243 32 E 4.6646 8.6135 121.7740 55.6375 30.7122 175.3399 33 V 4.6657 8.7371 118.5450 59.8660 36.7778 174.1465 34 R 5.2048 8.3590 119.1779 54.9892 33.4258 175.3698 35 G 4.5066 9.3202 108.6660 45.7117 0.0000 171.5264 36 F 5.3024 8.2127 113.9474 55.4029 41.1117 174.9136 37 G 4.4637 8.5451 109.2851 44.8530 0.0000 174.4632 38 R 4.1254 8.7022 116.0231 58.4146 30.0988 177.2330 39 Q 4.3111 8.1676 117.1735 55.1187 29.2151 175.6814 40 K 3.4100 9.1155 117.2577 57.5139 30.0456 176.9758 41 G 4.1743 8.5102 103.3491 46.6158 0.0000 173.6407 42 Q 4.6160 7.8987 118.6505 54.1882 30.3194 175.7039 43 T 4.4640 8.1601 111.2895 61.4235 70.1654 174.7166 44 E 4.1777 8.0458 124.4541 56.5339 30.3896 177.4540 45 R 3.8725 8.6981 121.0977 59.0723 29.6700 176.8468 46 Y 4.5178 7.4506 116.2636 55.4498 37.3895 174.1252 *53 V 3.7390 7.5526 119.1164 60.9550 32.9317 175.6504 54 E 4.6762 8.0804 121.4146 54.2457 32.9291 174.7754 55 F 5.1766 8.7912 119.7193 56.8540 40.4303 175.2029 56 L 4.9221 9.0903 122.8476 52.7166 45.0269 175.4826 57 Q 4.6285 8.6143 122.4463 56.3682 29.8225 175.1007 58 K 4.8517 9.0444 124.3263 54.8731 37.5178 174.6796 59 L 5.1161 8.7032 120.4434 52.9342 45.0063 175.7480 60 K 4.9038 9.4207 124.8668 54.7946 34.3386 174.5989 61 L 5.2228 9.1763 127.9166 53.1474 44.3909 175.3374 62 E 5.1980 9.4961 122.3940 54.6589 33.1994 174.9381 63 I 4.7904 8.7705 124.6572 59.5293 41.1234 174.3430 64 V 4.7011 8.4995 127.1639 61.7098 32.7307 175.1077 65 V 4.6631 8.5455 119.8433 59.2997 36.6146 174.9336 66 E 4.4009 9.2742 121.2122 56.1047 30.2769 178.0473 67 D 4.3717 8.9816 121.4329 57.9732 40.6507 179.4490 68 A 4.0850 8.0479 118.7590 54.5669 18.6741 178.4748 69 Q 4.3111 8.0790 115.2685 56.2644 29.1776 177.8951 70 V 3.5788 7.4681 120.2105 66.3433 31.5524 177.6459 71 D 4.3499 8.0121 117.9697 57.4899 40.6085 178.5736 72 T 3.8411 7.7763 113.3244 64.9466 67.4529 176.4684 73 V 3.5505 7.9057 120.2300 65.9810 31.5164 177.8800 74 I 3.6267 8.0122 119.9729 64.5663 36.9677 177.6378 75 D 4.3090 8.2286 118.7219 57.5027 40.9533 178.7057 76 K 3.9706 7.8669 118.4541 59.3223 31.9828 179.2447 77 I 3.6091 7.6614 120.1518 64.4322 37.0840 178.4385 78 V 3.4995 7.9290 118.6436 66.1507 31.1613 177.9158 79 A 3.9705 7.8883 118.6910 55.0897 18.2525 179.1425 80 A 4.0414 7.9173 118.3109 54.6709 18.6488 178.9868 81 A 4.1812 8.0638 117.6677 52.0788 19.6738 177.6850 82 R 4.1445 7.3939 118.7931 56.3960 30.5594 176.1455 83 T 4.4184 9.3994 114.2631 61.0246 70.3713 175.2206 84 G 3.9502 8.9302 109.7680 45.3221 0.0000 172.6090 85 E 4.7899 7.8830 118.5571 53.3843 32.8801 175.5008 86 I 3.6833 8.2037 114.2621 63.0980 37.6450 176.2239 87 G 3.9804 8.8810 110.4054 45.7641 0.0000 174.1498 88 D 4.2875 7.4829 119.9474 55.9033 40.8853 175.9908 89 G 4.1388 7.0354 103.4134 43.3611 0.0000 172.0933 90 K 4.4434 8.3120 119.7017 54.9035 35.9054 174.5918 91 I 4.7356 7.8347 126.2305 59.3601 40.0248 174.7974 92 F 4.9919 8.9634 124.8688 55.6112 42.2683 174.0952 93 V 5.0445 8.6347 123.2408 61.1827 33.5701 174.6577 94 S 4.9150 9.0268 121.4050 55.8931 66.8297 171.5731 95 P 4.7704 0.0000 0.0000 62.8869 32.2247 175.6329 96 V 4.3675 8.1778 121.0493 61.6571 33.5692 175.1175 97 D 4.6199 8.9791 127.2304 56.6261 41.5417 176.5236 98 Q 4.8820 7.5318 114.4699 54.8701 33.2709 174.5906 99 T 4.6824 8.8208 117.5993 62.0112 72.5533 173.0125 100 I 4.9481 8.3913 126.3681 59.3668 40.5753 174.9416 101 R 4.2022 8.9070 127.8794 55.4811 29.1491 176.9435 102 I 3.6754 8.6839 128.0258 64.5832 37.4690 178.2550 103 R 4.1818 8.1727 118.8262 58.7473 29.8999 176.8519 104 T 4.3586 7.2901 104.7958 60.4378 70.5193 175.2410 105 G 3.9003 8.5409 109.5976 45.6144 0.0000 173.4617 106 E 4.4147 7.7904 119.1468 56.2521 30.6690 176.0517 107 K 5.0849 8.3245 119.5971 55.7109 35.8654 174.5082 108 N 5.1441 8.9512 119.9505 51.7750 42.9151 174.3083 109 A 4.1010 8.2776 123.9962 53.1700 19.2202 176.4373 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 8.16 4.73 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.86 4.83 0.00 1.62 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 3 K 9.92 4.89 0.00 1.80 1.67 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 4 I 8.79 4.80 1.87 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 1.11 0.52 0.89 0.00 0.00 5 E 9.40 5.09 0.00 2.06 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 0.00 2.38 2.30 0.00 6 A 9.11 5.03 1.15 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 0.00 0.00 0.00 0.00 0.00 7 I 8.66 4.87 1.85 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 1.37 1.48 0.93 0.00 0.00 8 I 8.65 5.12 1.76 0.00 0.00 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 1.17 0.85 0.84 0.00 0.00 9 R 8.31 4.29 0.00 1.56 1.92 0.00 3.13 0.00 0.00 3.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 10 P 0.00 4.29 0.00 2.24 2.15 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 11 F 8.22 4.52 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.38 3.90 0.00 1.59 1.60 0.00 1.61 0.00 0.00 1.09 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 1.23 7.81 13 L 7.53 3.83 0.00 1.73 1.67 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.11 4.33 0.00 2.77 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 15 E 8.10 3.97 0.00 2.00 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 2.41 2.38 0.00 16 V 7.73 3.51 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 1.00 0.00 0.00 0.86 0.00 0.00 17 K 8.26 3.87 0.00 1.93 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 I 7.85 3.65 1.86 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 0.54 0.91 0.00 0.00 19 A 8.15 3.97 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 20 L 8.31 3.89 0.00 1.84 1.71 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.95 3.60 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 1.03 0.00 0.00 0.97 0.00 0.00 22 N 8.23 4.37 0.00 2.86 2.87 0.00 0.00 7.08 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 23 A 7.62 4.28 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 24 G 7.70 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 25 I 7.09 3.88 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 1.40 0.63 0.95 0.00 0.00 26 V 8.30 3.80 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 0.70 0.00 0.00 0.93 0.00 0.00 27 G 7.58 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 28 M 8.21 5.00 0.00 1.98 1.99 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 2.46 2.57 0.00 29 T 8.88 4.76 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 1.21 0.00 0.00 30 V 8.30 5.09 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 0.83 0.00 0.00 0.92 0.00 0.00 31 S 8.80 4.67 0.00 3.90 3.89 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 32 E 8.61 4.66 0.00 2.00 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 2.25 2.34 0.00 33 V 8.74 4.67 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 0.75 0.00 0.00 1.00 0.00 0.00 34 R 8.36 5.20 0.00 1.39 1.78 0.00 3.42 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 35 G 9.32 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 0.00 0.00 0.00 0.00 36 F 8.21 5.30 0.00 2.92 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 37 G 8.55 4.46 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 0.00 0.00 0.00 38 R 8.70 4.13 0.00 1.97 2.13 0.00 3.05 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 39 Q 8.17 4.31 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.44 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 40 K 9.12 3.41 0.00 1.84 1.57 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.00 1.25 7.81 41 G 8.51 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.90 4.62 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 43 T 8.16 4.46 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 1.23 0.00 0.00 44 E 8.05 4.18 0.00 1.97 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 2.32 2.37 0.00 45 R 8.70 3.87 0.00 1.83 1.86 0.00 3.22 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 46 Y 7.45 4.52 0.00 2.97 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 *53 V 7.55 3.74 1.29 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 0.46 0.00 0.00 -0.30 0.00 0.00 54 E 8.08 4.68 0.00 2.03 2.03 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 2.06 2.36 0.00 55 F 8.79 5.18 0.00 3.05 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 56 L 9.09 4.92 0.00 1.64 1.62 0.98 0.72 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 57 Q 8.61 4.63 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 58 K 9.04 4.85 0.00 1.70 1.75 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.59 7.81 59 L 8.70 5.12 0.00 1.55 1.51 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.42 4.90 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.42 7.81 61 L 9.18 5.22 0.00 1.60 1.53 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.50 5.20 0.00 1.82 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 2.23 2.26 0.00 63 I 8.77 4.79 1.87 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 1.10 0.68 0.95 0.00 0.00 64 V 8.50 4.70 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 0.79 0.00 0.00 0.93 0.00 0.00 65 V 8.55 4.66 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 0.67 0.00 0.00 0.93 0.00 0.00 66 E 9.27 4.40 0.00 2.16 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 2.32 2.28 0.00 67 D 8.98 4.37 0.00 2.68 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 68 A 8.05 4.08 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 69 Q 8.08 4.31 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 70 V 7.47 3.58 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 1.11 0.00 0.00 0.97 0.00 0.00 71 D 8.01 4.35 0.00 2.72 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 72 T 7.78 3.84 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 1.27 0.00 0.00 73 V 7.91 3.55 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 0.96 0.00 0.00 0.98 0.00 0.00 74 I 8.01 3.63 1.99 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 1.38 0.58 0.88 0.00 0.00 75 D 8.23 4.31 0.00 2.88 2.84 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 76 K 7.87 3.97 0.00 1.91 1.82 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.61 7.81 77 I 7.66 3.61 1.96 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 1.37 0.83 0.85 0.00 0.00 78 V 7.93 3.50 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 0.98 0.00 0.00 0.88 0.00 0.00 79 A 7.89 3.97 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 80 A 7.92 4.04 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 81 A 8.06 4.18 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 82 R 7.39 4.14 0.00 1.89 1.85 0.00 3.20 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 83 T 9.40 4.42 4.34 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 1.34 0.00 0.00 84 G 8.93 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 0.00 0.00 0.00 85 E 7.88 4.79 0.00 1.97 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 2.23 2.37 0.00 86 I 8.20 3.68 1.88 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 1.35 0.53 0.91 0.00 0.00 87 G 8.88 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 0.00 0.00 0.00 88 D 7.48 4.29 0.00 2.79 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 89 G 7.04 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 0.00 0.00 0.00 90 K 8.31 4.44 0.00 1.69 1.23 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.54 1.15 7.81 91 I 7.83 4.74 1.72 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 1.23 0.64 0.83 0.00 0.00 92 F 8.96 4.99 0.00 2.89 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 93 V 8.63 5.04 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 0.85 0.00 0.00 0.94 0.00 0.00 94 S 9.03 4.91 0.00 3.87 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 95 P 0.00 4.77 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.18 4.37 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 0.80 0.00 0.00 0.96 0.00 0.00 97 D 8.98 4.62 0.00 2.70 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 98 Q 7.53 4.88 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 99 T 8.82 4.68 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 1.21 0.00 0.00 100 I 8.39 4.95 1.87 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 1.23 0.61 0.91 0.00 0.00 101 R 8.91 4.20 0.00 1.87 1.80 0.00 3.30 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 102 I 8.68 3.68 1.87 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 0.68 0.91 0.00 0.00 103 R 8.17 4.18 0.00 1.76 1.97 0.00 3.18 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 7.29 4.36 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 1.21 0.00 0.00 105 G 8.54 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 0.00 106 E 7.79 4.41 0.00 1.96 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 2.33 2.26 0.00 107 K 8.32 5.08 0.00 1.82 1.72 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.43 7.81 108 N 8.95 5.14 0.00 2.76 2.65 0.00 0.00 7.07 7.99 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 0.00 109 A 8.28 4.10 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.