NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6671 8.2233 120.3298 52.9462 41.3975 176.8164 5 H 3.9899 8.5412 117.1870 57.3957 28.8348 173.4330 6 I 4.2073 7.8959 120.9904 59.6940 39.8491 177.2854 7 R 4.3340 7.9249 127.0002 54.6045 26.9439 176.2958 8 Y 4.2464 7.6214 120.6301 61.1612 38.4445 177.9720 9 D 4.4582 8.2371 119.3846 56.6023 39.3416 178.6918 10 I 3.6727 7.6941 120.6415 64.1094 37.3341 177.9114 11 L 3.9494 8.0611 119.6003 57.9794 41.5034 179.7051 12 A 4.0260 8.4838 120.6548 55.5007 18.3531 179.8226 13 Q 4.4271 8.1700 116.4842 59.1338 28.6879 178.9178 14 D 4.2589 8.4792 120.1778 57.0919 40.6489 178.4254 15 A 3.9659 7.8192 120.1793 55.3703 18.6297 179.4589 16 L 4.1061 8.5889 117.7625 57.6320 41.8027 179.4785 17 R 3.7837 8.2922 119.3233 59.4352 30.0638 178.5502 18 G 3.5651 8.3170 104.3712 46.3637 0.0000 175.4888 19 V 3.5391 7.7407 121.4331 65.7304 31.5317 177.9157 20 I 3.0426 7.2542 119.0563 63.8920 36.9591 178.2075 21 R 3.4712 7.0991 119.2261 59.0651 29.6527 178.3879 22 K 3.7920 7.2520 117.4176 60.2814 32.4861 177.9936 23 V 3.3837 7.9508 118.7402 65.9494 31.2087 177.0241 24 L 4.2636 7.7682 120.7653 57.8883 40.2154 179.6337 25 G 3.6140 7.8572 107.3433 47.0752 0.0000 174.7608 26 E 4.1841 8.4641 118.5592 57.0409 30.1528 178.3887 27 V 3.5410 7.5506 119.5375 65.8946 31.5611 177.3304 28 A 4.2183 7.9655 119.2306 54.4426 18.3669 179.0668 29 A 4.1473 7.3984 119.1429 54.9963 18.7486 178.9904 30 T 4.3694 7.6917 105.7260 61.1367 69.2937 176.8936 31 G 4.1495 8.0002 114.9112 46.5938 0.0000 174.9878 32 R 4.6407 7.9843 116.7794 54.4070 31.2691 178.7313 33 L 4.7095 8.3254 120.8012 52.8637 43.4715 174.7624 34 P 4.3505 0.0000 0.0000 64.2087 32.5614 176.9739 35 G 3.7981 8.5645 111.3313 48.0506 0.0000 173.9978 36 D 4.8332 8.4799 120.9772 53.6892 40.2272 173.8342 37 H 4.7842 8.2845 117.1053 55.7759 29.2957 174.6477 38 H 4.1038 7.5216 115.2197 55.3729 30.5286 173.2067 39 F 5.1546 7.4614 118.8102 56.0741 42.3138 174.5897 40 F 5.3197 9.0722 121.1014 55.8371 39.6776 172.5628 41 I 4.4913 8.1652 122.7102 60.6615 38.6884 174.5258 42 T 5.1571 9.3703 125.5105 62.0625 70.4858 174.1056 43 F 5.4526 8.7804 120.0699 55.2089 42.7674 173.3737 44 L 4.7077 8.5898 119.0634 53.3761 41.5697 178.1329 45 T 3.6425 7.9738 116.3210 63.9526 68.5700 175.3627 46 G 3.9524 7.8227 107.6252 44.8022 0.0000 173.3007 47 A 4.1957 7.8645 123.5319 50.8875 19.0027 176.2110 48 P 4.4811 0.0000 0.0000 63.8902 31.9563 176.9003 49 G 4.0804 8.7698 109.3720 45.6691 0.0000 174.4775 50 V 3.9114 7.2704 118.9758 62.9405 32.4935 175.9676 51 R 4.4915 8.8727 126.1604 54.7945 32.5844 173.4573 52 I 4.9164 8.1243 127.7192 59.9140 41.2547 174.1794 53 S 4.8917 8.5561 114.5134 56.0803 66.6184 174.8920 54 Q 3.9850 8.6293 120.9788 59.6605 27.8794 178.1502 55 H 4.1248 8.1877 119.2085 59.4075 30.1889 176.6425 56 L 4.1258 7.8096 120.0070 57.7352 41.2545 179.4353 57 K 4.0662 8.5347 120.0429 58.8299 31.7788 177.7910 58 S 4.6467 7.7840 113.2401 58.1908 63.3642 174.5152 59 K 4.1939 7.6235 123.1196 57.5134 34.3423 175.9383 60 Y 4.7338 8.0070 115.3730 60.3113 38.7172 177.6904 61 A 3.9808 7.3422 124.7091 55.0836 19.8105 178.6124 62 E 4.3557 7.9836 113.8170 57.5163 30.5461 176.4383 63 Q 4.7052 7.1945 112.2010 54.5934 31.6992 174.0184 *65 T 4.2933 8.1886 113.6331 63.3886 68.0188 174.0476 66 I 4.1216 8.1258 120.7606 60.4361 39.9478 175.4974 67 V 4.2160 7.8061 121.3922 61.5113 33.4396 174.5775 68 I 4.0114 8.5812 130.6871 60.7360 37.2885 174.5699 69 Q 4.6240 7.9337 133.2085 57.7131 31.0939 176.9088 *70 H 3.2079 7.1416 105.8205 54.2550 30.5530 169.7513 71 Q 4.0782 7.9521 118.0351 54.1036 31.9168 174.4056 72 F 5.1986 6.9581 119.5344 54.8725 41.2054 173.2654 73 W 5.1159 7.9436 115.5376 55.5222 30.7121 170.5834 74 D 4.4155 8.8415 122.1081 54.2226 40.2636 173.7959 *76 K 4.1120 8.1422 120.6818 56.2156 33.3056 175.0098 77 V 4.7351 8.3060 120.9907 61.4971 33.8369 174.7146 78 T 4.6229 8.5871 121.8056 59.8406 69.5691 174.7433 79 E 4.2736 8.7109 122.4263 59.0647 29.8320 178.5496 80 T 4.2289 7.7677 114.9169 64.8430 69.6917 174.3695 81 G 2.9843 6.4425 106.6656 44.7222 0.0000 171.3047 82 F 5.3497 7.5231 113.3287 54.9171 40.9543 173.7413 83 E 4.9596 9.2693 122.8221 54.6930 31.6279 174.7615 84 I 4.5612 8.2935 118.4083 59.7756 41.6761 173.5241 85 G 2.7210 8.2494 110.4185 44.2674 0.0000 174.1836 86 L 4.6204 8.0606 124.2938 52.3665 43.2250 173.1973 87 S 4.5120 9.2895 116.8809 58.9372 63.8582 173.5406 88 F 4.6799 8.9264 126.9368 55.7153 41.5842 176.1493 89 S 4.3741 9.3483 119.0454 60.9641 62.3566 174.9619 90 D 4.9349 7.8578 115.7442 52.6271 40.6317 175.2553 91 T 4.4170 7.5178 111.4179 60.4768 70.7661 170.1074 92 P 5.0221 0.0000 0.0000 62.8946 32.5350 175.2091 93 E 4.9111 8.8951 120.6828 54.4943 33.4603 175.1357 94 K 5.2304 8.8782 123.1066 53.6588 34.8190 174.9789 95 L 5.4361 8.2607 127.4863 53.0477 43.9651 175.2769 96 V 4.2533 8.0408 120.8741 61.3511 33.7947 174.2481 97 I 4.4400 7.5521 129.4560 58.3919 39.2574 173.5778 98 P 4.3699 0.0000 0.0000 62.2137 32.3521 176.9682 99 Y 4.3640 8.0115 119.7238 61.4275 37.9262 178.8351 100 N 4.2459 8.2707 114.8350 55.2427 37.5310 175.5354 101 A 4.3122 8.1629 121.6881 53.5258 19.2445 177.3664 102 I 4.5358 7.9199 118.2195 61.5009 37.7102 176.0011 103 R 4.9321 9.2142 120.0105 55.9462 31.5031 175.3842 104 G 4.2873 7.9179 105.2435 45.4054 0.0000 172.1443 105 F 5.0320 8.3232 126.3215 56.3628 42.7519 173.0418 106 Y 5.1752 8.3207 123.2331 56.2242 41.8315 173.8018 107 D 5.4230 9.3995 124.4912 51.3043 43.1775 174.9681 108 P 4.4900 0.0000 0.0000 65.0270 32.0341 178.7144 109 S 4.1483 7.9761 113.4979 60.9757 62.6526 176.1987 110 V 4.3431 7.7829 110.6663 59.9224 32.9509 175.4015 111 N 4.1253 7.8414 115.9576 54.6421 37.3908 172.8431 112 F 5.1290 9.0230 122.4780 56.3020 42.8171 174.3088 113 E 4.7779 7.7399 125.2607 54.4095 32.7720 174.0706 114 L 4.4805 8.3589 125.9852 52.8721 45.5277 175.3570 115 E 4.8967 7.7333 119.9411 54.8254 33.5515 174.3712 116 F 5.0527 8.8976 121.0157 55.8489 43.4991 174.2337 117 D 4.7898 9.0480 119.8838 53.3236 41.2683 177.4905 118 V 4.0519 8.3885 116.8856 61.4209 31.9282 175.8744 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 4 D 8.22 4.67 0.00 2.85 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 5 H 8.54 3.99 0.00 3.15 3.41 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.90 4.21 1.38 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.45 -0.21 0.00 0.00 7 R 7.92 4.33 0.00 1.76 1.85 0.00 3.28 0.00 0.00 3.31 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 8 Y 7.62 4.25 0.00 3.04 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 9 D 8.24 4.46 0.00 2.92 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 10 I 7.69 3.67 2.02 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 1.64 0.49 0.95 0.00 0.00 11 L 8.06 3.95 0.00 1.92 1.78 0.86 0.64 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 12 A 8.48 4.03 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 13 Q 8.17 4.43 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 14 D 8.48 4.26 0.00 2.67 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 15 A 7.82 3.97 1.41 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 0.00 0.00 16 L 8.59 4.11 0.00 1.92 1.88 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.29 3.78 0.00 1.97 1.91 0.00 2.91 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 18 G 8.32 3.57 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 0.00 0.00 0.00 19 V 7.74 3.54 2.18 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 0.90 0.00 0.00 0.91 0.00 0.00 20 I 7.25 3.04 1.71 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 0.39 0.68 0.73 0.00 0.00 21 R 7.10 3.47 0.00 0.86 1.69 0.00 3.04 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 22 K 7.25 3.79 0.00 1.82 1.68 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.51 7.81 23 V 7.95 3.38 1.79 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 0.65 0.00 0.00 0.69 0.00 0.00 24 L 7.77 4.26 0.00 1.69 1.54 0.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.86 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 26 E 8.46 4.18 0.00 2.16 2.19 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 2.55 2.30 0.00 27 V 7.55 3.54 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 1.16 0.00 0.00 1.19 0.00 0.00 28 A 7.97 4.22 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 0.00 0.00 0.00 0.00 0.00 29 A 7.40 4.15 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 30 T 7.69 4.37 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 1.25 0.00 0.00 31 G 8.00 4.15 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 0.00 32 R 7.98 4.64 0.00 1.82 1.71 0.00 3.26 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 33 L 8.33 4.71 0.00 1.71 1.79 0.69 1.01 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 34 P 0.00 4.35 0.00 2.31 2.21 0.00 3.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 35 G 8.56 3.80 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 0.00 0.00 0.00 36 D 8.48 4.83 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.28 4.78 0.00 3.37 3.25 0.00 5.86 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 38 H 7.52 4.10 0.00 3.22 3.24 0.00 5.40 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.46 5.15 0.00 2.74 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 0.00 0.00 0.00 40 F 9.07 5.32 0.00 3.16 3.11 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 41 I 8.17 4.49 2.02 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 0.86 1.05 1.17 0.00 0.00 42 T 9.37 5.16 4.53 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 0.00 0.00 1.35 0.00 0.00 43 F 8.78 5.45 0.00 3.22 3.15 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 44 L 8.59 4.71 0.00 1.66 1.66 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.97 3.64 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 0.98 0.00 0.00 46 G 7.82 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 47 A 7.86 4.20 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 48 P 0.00 4.48 0.00 2.05 2.00 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 49 G 8.77 4.08 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 0.00 0.00 0.00 50 V 7.27 3.91 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 0.97 0.00 0.00 1.11 0.00 0.00 51 R 8.87 4.49 0.00 1.66 1.77 0.00 3.24 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 52 I 8.12 4.92 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.95 0.00 0.00 53 S 8.56 4.89 0.00 3.99 3.73 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 54 Q 8.63 3.98 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 55 H 8.19 4.12 0.00 3.10 3.37 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.81 4.13 0.00 1.78 1.80 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.53 4.07 0.00 1.93 1.87 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.50 7.81 58 S 7.78 4.65 0.00 4.03 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 59 K 7.62 4.19 0.00 1.69 1.90 0.00 1.42 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.08 0.69 7.81 60 Y 8.01 4.73 0.00 2.96 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 61 A 7.34 3.98 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 62 E 7.98 4.36 0.00 2.08 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 2.22 0.00 63 Q 7.19 4.71 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 *65 T 8.19 4.29 4.32 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 0.00 0.00 0.00 1.37 0.00 0.00 66 I 8.13 4.12 1.86 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 1.44 0.87 0.97 0.00 0.00 67 V 7.81 4.22 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 0.33 0.00 0.00 0.31 0.00 0.00 68 I 8.58 4.01 1.80 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 1.03 0.85 0.24 0.00 0.00 69 Q 7.93 4.62 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.53 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 *70 H 7.14 3.21 0.00 3.02 2.92 0.00 7.20 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.95 4.08 0.00 1.81 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 72 F 6.96 5.20 0.00 3.16 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 73 W 7.94 5.12 0.00 3.58 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 74 D 8.84 4.42 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.11 0.00 1.87 1.80 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.65 7.81 77 V 8.31 4.74 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 0.94 0.00 0.00 1.04 0.00 0.00 78 T 8.59 4.62 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 1.25 0.00 0.00 79 E 8.71 4.27 0.00 2.04 2.06 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 2.34 2.37 0.00 80 T 7.77 4.23 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 1.12 0.00 0.00 81 G 6.44 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 0.00 0.00 0.00 82 F 7.52 5.35 0.00 3.16 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 83 E 9.27 4.96 0.00 1.85 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 2.14 2.12 0.00 84 I 8.29 4.56 1.78 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 1.00 0.19 1.06 0.00 0.00 85 G 8.25 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 0.00 0.00 0.00 86 L 8.06 4.62 0.00 1.52 1.43 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 87 S 9.29 4.51 0.00 4.06 3.99 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 88 F 8.93 4.68 0.00 3.33 2.94 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 0.00 0.00 0.00 89 S 9.35 4.37 0.00 4.13 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 90 D 7.86 4.93 0.00 2.78 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 91 T 7.52 4.42 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 1.23 0.00 0.00 92 P 0.00 5.02 0.00 2.52 2.23 0.00 3.85 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 2.13 2.09 0.00 93 E 8.90 4.91 0.00 2.31 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 2.41 2.56 0.00 94 K 8.88 5.23 0.00 1.66 1.65 0.00 1.56 0.00 0.00 2.61 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.29 7.81 95 L 8.26 5.44 0.00 1.69 1.72 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.04 4.25 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 0.80 0.00 0.00 0.82 0.00 0.00 97 I 7.55 4.44 0.56 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.12 0.53 0.00 0.00 98 P 0.00 4.37 0.00 2.39 2.03 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 99 Y 8.01 4.36 0.00 3.03 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 0.00 100 N 8.27 4.25 0.00 2.81 2.96 0.00 0.00 5.96 7.26 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 0.00 101 A 8.16 4.31 1.47 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 0.00 0.00 102 I 7.92 4.54 2.04 0.00 0.00 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 1.64 0.86 1.31 0.00 0.00 103 R 9.21 4.93 0.00 1.97 2.26 0.00 2.94 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 104 G 7.92 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 0.00 0.00 0.00 0.00 105 F 8.32 5.03 0.00 3.19 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 0.00 106 Y 8.32 5.18 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 107 D 9.40 5.42 0.00 3.18 2.93 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 0.00 108 P 0.00 4.49 0.00 2.19 1.95 0.00 3.44 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 109 S 7.98 4.15 0.00 3.87 4.35 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 0.00 110 V 7.78 4.34 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 0.77 0.00 0.00 1.10 0.00 0.00 111 N 7.84 4.13 0.00 2.76 2.80 0.00 0.00 6.80 6.54 0.00 0.00 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 F 9.02 5.13 0.00 3.14 3.02 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 0.00 113 E 7.74 4.78 0.00 1.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 114 L 8.36 4.48 0.00 1.27 0.86 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.73 4.90 0.00 1.58 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 2.21 2.28 0.00 116 F 8.90 5.05 0.00 2.93 2.90 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 0.00 117 D 9.05 4.79 0.00 2.73 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 0.00 118 V 8.39 4.05 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 0.78 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.