NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 4.7041 8.3131 122.8201 58.3489 39.9696 174.1984 5 G 3.4899 8.1206 116.4719 44.9106 0.0000 171.7630 6 G 3.6647 5.6312 110.5967 44.2403 0.0000 170.3840 7 Y 4.8411 8.5690 116.7175 56.6793 39.7744 175.5372 8 S 4.9081 9.1927 120.3054 56.5378 65.5903 173.3348 9 E 4.6825 8.9203 126.3432 56.3911 30.1796 175.7150 10 R 4.7114 8.9185 121.9626 55.5977 32.4909 174.4585 *13 H 4.9178 8.8457 115.3134 55.7040 30.2991 175.3223 14 Q 4.0050 7.8706 116.1910 58.1877 28.1308 177.4482 15 A 4.1160 7.9221 119.5234 53.3081 18.3488 176.3626 16 N 4.8415 8.0681 115.4370 50.4695 41.6783 173.1546 17 P 4.4807 0.0000 0.0000 65.2012 31.8423 177.9922 18 E 4.0682 8.1521 118.9406 58.9927 29.4172 178.6966 19 F 4.5370 8.4241 118.2157 60.5700 39.0760 177.3629 20 L 4.0809 8.0890 119.5165 58.2767 41.8972 178.5269 21 N 4.4742 8.7288 116.9005 56.4560 38.5168 177.4440 22 L 4.1361 8.2286 120.1873 57.6760 41.6726 179.4321 23 A 4.0537 8.4807 121.3750 55.4442 18.2757 179.4541 24 H 4.1704 8.8255 115.2602 58.8468 28.7323 177.4207 25 Y 4.0927 8.5705 121.6854 60.5448 38.5871 177.8486 26 A 3.7277 8.1421 121.5657 55.4529 18.5252 179.6733 27 T 3.9068 7.8429 114.2680 66.9494 68.5752 177.1481 28 S 4.3385 8.2376 116.1527 61.8041 62.7645 176.6359 29 T 3.8450 7.9749 118.9509 65.9734 68.3787 176.3649 30 W 4.2107 8.4780 130.7563 60.5436 31.0059 178.0676 31 S 3.5236 8.5556 114.0374 61.4755 62.0223 176.2720 32 A 3.9165 7.7810 122.5881 54.4446 18.1179 178.8629 33 Q 4.2003 8.1048 115.8919 56.5506 28.9931 176.3494 34 Q 3.6532 6.8840 120.1125 54.8683 28.8073 173.9511 35 P 4.3768 0.0000 0.0000 63.4302 31.8814 175.6125 36 G 4.0614 8.8992 111.8219 45.8690 0.0000 174.3913 37 K 4.2309 7.2446 117.0883 56.4172 32.5155 176.8486 38 T 4.4632 8.2339 108.4299 61.2892 70.2431 173.4918 39 H 4.8648 7.7055 117.7844 53.5437 32.6225 173.0506 40 F 4.3923 8.5451 120.5278 57.7557 39.4500 175.1412 41 D 4.8913 8.6112 124.4084 53.7835 42.0564 175.6026 42 T 4.6613 7.9084 114.3011 60.5707 70.7518 172.5680 43 V 3.9120 8.2842 121.4979 62.0980 32.0635 175.4487 44 A 4.4837 8.2856 129.1912 52.5441 20.3298 176.5923 45 E 4.8298 7.4410 114.1488 55.9729 31.9512 176.2556 46 V 4.0057 8.3917 126.1772 61.5870 31.0484 175.6431 47 V 3.7926 8.3121 128.0048 65.2705 31.7855 176.2737 48 K 4.5215 7.4341 117.4524 54.8967 35.1367 174.6317 49 V 4.1649 8.1463 123.9613 61.1668 34.2776 173.7349 50 E 5.4457 8.7943 126.9020 54.7129 32.8144 175.4540 51 T 4.8090 9.0883 112.5605 60.0099 72.4225 172.6436 52 Q 4.5677 8.2588 123.8381 54.3045 31.7655 174.3881 53 V 3.7509 8.4426 126.8452 62.2257 32.2312 174.9920 54 V 4.2998 8.3259 126.4919 60.9840 33.3219 174.2918 55 A 4.7541 8.6533 129.0840 49.7086 22.2395 175.8124 56 G 4.1312 7.4974 107.0483 46.2067 0.0000 171.3107 57 T 4.6321 7.7161 115.2291 61.7036 72.2315 173.0989 58 N 5.3037 8.5563 122.0359 52.1133 40.7079 174.3031 59 Y 4.4974 9.2287 121.9384 56.2940 39.9086 175.0302 60 R 4.7507 8.6094 125.8347 55.4627 30.4170 174.8820 61 L 4.6829 9.2086 127.5386 53.2877 44.1127 175.9068 62 T 4.7774 8.4928 120.3411 62.1443 70.0401 173.5429 63 L 4.7912 8.9106 126.3161 52.6994 46.2358 175.8736 64 K 4.9156 8.5482 118.8040 55.1048 33.5373 176.2112 65 V 4.4698 8.8396 125.8019 61.7862 33.8534 174.4091 66 A 4.8381 8.2242 124.2005 50.4783 22.1540 175.8008 67 E 4.0581 8.9256 121.7745 57.0547 30.8340 176.8808 68 S 5.9042 8.8109 121.2721 56.7337 65.5140 173.5958 69 T 4.3486 8.5156 108.0974 62.4035 69.2292 175.3951 70 C 4.7865 7.9568 120.6383 55.4134 37.0098 173.6519 71 E 4.3144 8.4211 122.8825 56.3088 29.7123 177.6912 72 L 4.3228 8.3414 119.6846 56.3005 41.9468 177.8915 73 T 4.2615 7.7547 107.9534 61.8024 69.2656 174.4050 74 S 4.6668 7.4659 118.8491 57.4119 65.0745 173.1076 75 T 4.4078 8.0863 117.9952 62.4947 69.0719 174.4420 76 Y 4.2130 8.5423 128.1252 57.1367 39.7896 174.0207 77 N 4.8936 7.5987 124.2764 51.1112 42.2121 175.0325 78 K 3.7810 8.6370 124.1182 59.8633 32.7342 177.6594 79 D 4.5005 7.9113 117.1486 55.6651 41.3687 177.3048 80 T 4.2432 7.5822 114.5965 65.7382 69.6031 176.7510 81 C 4.6257 7.4730 119.9420 56.3408 38.4481 173.4469 82 L 4.4704 7.7682 122.3595 53.0930 43.7713 174.3888 83 P 4.7985 0.0000 0.0000 62.2899 31.4895 176.4397 84 K 3.8156 8.9630 126.8521 56.9812 32.5649 176.9641 85 A 3.9238 9.0991 130.7516 55.7880 18.4914 178.5296 86 D 4.2967 8.7877 113.1649 58.3110 41.1796 177.1789 87 A 3.6434 7.2668 119.3322 50.0406 17.4474 176.8383 88 A 4.0792 8.4819 126.5783 52.6813 19.1429 176.0930 89 H 5.1016 8.5881 119.5533 55.0362 30.0966 174.9682 90 R 4.7430 9.0111 122.1780 54.6967 33.5898 175.0495 91 T 4.9886 8.3960 119.0991 62.6792 70.2037 174.5160 92 C 5.5570 9.0504 123.2421 55.3593 44.7147 173.1786 93 T 5.1010 8.1404 116.1614 62.3573 72.0531 173.1922 94 T 4.7393 8.6045 118.3260 60.9171 71.9670 172.3133 95 V 4.8523 9.2924 125.9754 61.2160 34.2922 174.3226 96 V 4.7806 9.1132 129.4115 61.6228 33.1606 174.1042 97 F 5.4796 9.1674 130.9550 56.7114 41.7008 173.9369 98 E 4.7532 8.2894 126.1050 54.5210 32.4482 174.5620 99 N 4.8715 7.5704 126.2849 51.4801 39.5812 174.4473 100 L 4.1788 8.4172 115.7946 58.0668 42.1756 178.1077 101 Q 4.0294 7.9138 115.1251 57.2328 28.7200 176.5096 102 G 4.0485 8.1585 106.6364 45.2478 0.0000 174.1404 103 D 4.5031 7.8099 118.1813 53.3684 39.9646 174.8326 104 K 5.2935 8.1781 118.7596 54.9382 36.6180 175.4006 105 S 4.7869 9.0039 114.4755 57.0634 66.6589 173.1308 106 V 4.8694 8.4339 121.8103 61.1932 33.5954 175.0367 107 S 4.7083 8.6221 122.3310 56.4808 64.6863 172.3147 108 P 4.2266 0.0000 0.0000 63.2091 31.4545 176.1761 109 F 4.2464 9.1718 122.1673 58.2641 39.5379 175.3964 110 E 4.5238 9.1822 126.7827 55.0037 28.8384 174.2044 111 C 5.1390 8.4511 121.3979 55.6180 42.4108 172.8437 112 E 4.5587 8.6119 119.6858 54.2964 30.2450 175.8080 113 A 3.9460 8.6501 128.4182 52.3407 18.3720 176.9992 114 A 4.2654 8.4859 124.2921 53.0425 19.0002 176.8687 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 F 8.31 4.70 0.00 2.98 3.10 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 5 G 8.12 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 6 G 5.63 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 7 Y 8.57 4.84 0.00 2.91 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 8 S 9.19 4.91 0.00 3.82 3.79 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 9 E 8.92 4.68 0.00 2.01 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 2.30 2.31 0.00 10 R 8.92 4.71 0.00 2.01 1.96 0.00 3.29 0.00 0.00 3.83 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 *13 H 8.85 4.92 0.00 3.80 4.06 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.87 4.00 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.14 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 15 A 7.92 4.12 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 16 N 8.07 4.84 0.00 2.31 2.27 0.00 0.00 7.13 8.13 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 17 P 0.00 4.48 0.00 2.30 2.27 0.00 3.65 0.00 0.00 3.63 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 18 E 8.15 4.07 0.00 2.06 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 0.00 2.40 2.57 0.00 19 F 8.42 4.54 0.00 3.24 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 20 L 8.09 4.08 0.00 1.86 1.91 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.73 4.47 0.00 2.94 2.90 0.00 0.00 7.05 6.35 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 22 L 8.23 4.14 0.00 2.16 1.80 0.90 0.91 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 23 A 8.48 4.05 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 24 H 8.83 4.17 0.00 3.41 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.57 4.09 0.00 3.06 3.23 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 26 A 8.14 3.73 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 27 T 7.84 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 1.44 0.00 0.00 28 S 8.24 4.34 0.00 3.74 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 29 T 7.97 3.85 3.82 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 0.00 0.00 1.09 0.00 0.00 30 W 8.48 4.21 0.00 3.38 3.31 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 31 S 8.56 3.52 0.00 4.12 4.47 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 32 A 7.78 3.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.10 4.20 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 34 Q 6.88 3.65 0.00 1.79 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 35 P 0.00 4.38 0.00 2.11 1.99 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 36 G 8.90 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 0.00 0.00 0.00 37 K 7.24 4.23 0.00 1.77 1.64 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.24 7.81 38 T 8.23 4.46 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 1.15 0.00 0.00 39 H 7.71 4.86 0.00 3.07 3.22 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.55 4.39 0.00 3.13 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 41 D 8.61 4.89 0.00 2.90 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 42 T 7.91 4.66 4.33 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 1.27 0.00 0.00 43 V 8.28 3.91 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 0.82 0.00 0.00 0.52 0.00 0.00 44 A 8.29 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.44 4.83 0.00 1.92 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 2.05 2.11 0.00 46 V 8.39 4.01 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 0.81 0.00 0.00 0.97 0.00 0.00 47 V 8.31 3.79 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 0.81 0.00 0.00 0.96 0.00 0.00 48 K 7.43 4.52 0.00 1.67 1.54 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.39 7.81 49 V 8.15 4.16 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 0.46 0.00 0.00 50 E 8.79 5.45 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 51 T 9.09 4.81 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 1.26 0.00 0.00 52 Q 8.26 4.57 0.00 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.98 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 53 V 8.44 3.75 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 0.82 0.00 0.00 0.95 0.00 0.00 54 V 8.33 4.30 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 0.86 0.00 0.00 0.89 0.00 0.00 55 A 8.65 4.75 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 56 G 7.50 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 0.00 0.00 0.00 0.00 57 T 7.72 4.63 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 0.70 0.00 0.00 58 N 8.56 5.30 0.00 2.56 2.74 0.00 0.00 6.81 7.46 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 59 Y 9.23 4.50 0.00 2.98 2.86 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 0.00 0.00 0.00 60 R 8.61 4.75 0.00 1.83 1.89 0.00 3.20 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 61 L 9.21 4.68 0.00 1.52 1.51 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.49 4.78 4.22 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 1.18 0.00 0.00 63 L 8.91 4.79 0.00 1.45 1.53 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.55 4.92 0.00 1.56 1.69 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.32 7.81 65 V 8.84 4.47 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 1.11 0.00 0.00 1.15 0.00 0.00 66 A 8.22 4.84 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 67 E 8.93 4.06 0.00 2.09 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 2.40 2.35 0.00 68 S 8.81 5.90 0.00 4.12 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 69 T 8.52 4.35 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 1.28 0.00 0.00 70 C 7.96 4.79 0.00 3.07 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 71 E 8.42 4.31 0.00 2.01 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 2.41 2.28 0.00 72 L 8.34 4.32 0.00 1.64 1.71 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.75 4.26 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 1.21 0.00 0.00 74 S 7.47 4.67 0.00 3.99 3.86 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 0.00 0.00 0.00 75 T 8.09 4.41 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 1.24 0.00 0.00 76 Y 8.54 4.21 0.00 2.91 2.86 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 0.00 0.00 0.00 77 N 7.60 4.89 0.00 2.59 2.40 0.00 0.00 6.96 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 78 K 8.64 3.78 0.00 1.87 1.97 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.48 7.81 79 D 7.91 4.50 0.00 2.80 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 80 T 7.58 4.24 4.09 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 1.15 0.00 0.00 81 C 7.47 4.63 0.00 2.34 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 82 L 7.77 4.47 0.00 1.59 1.57 0.90 1.02 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 83 P 0.00 4.80 0.00 1.97 2.04 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 2.04 2.10 0.00 84 K 8.96 3.82 0.00 1.96 1.73 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.44 7.81 85 A 9.10 3.92 1.31 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 86 D 8.79 4.30 0.00 2.68 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 87 A 7.27 3.64 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 88 A 8.48 4.08 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 89 H 8.59 5.10 0.00 3.06 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.01 4.74 0.00 1.78 1.83 0.00 3.15 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 91 T 8.40 4.99 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 92 C 9.05 5.56 0.00 2.58 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 93 T 8.14 5.10 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 1.16 0.00 0.00 94 T 8.60 4.74 3.51 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 0.89 0.00 0.00 95 V 9.29 4.85 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 0.95 0.00 0.00 0.94 0.00 0.00 96 V 9.11 4.78 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 0.98 0.00 0.00 1.01 0.00 0.00 97 F 9.17 5.48 0.00 3.28 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 98 E 8.29 4.75 0.00 2.06 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 0.00 2.10 2.10 0.00 99 N 7.57 4.87 0.00 2.89 2.64 0.00 0.00 6.95 9.04 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 0.00 100 L 8.42 4.18 0.00 1.64 1.74 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.91 4.03 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 102 G 8.16 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 0.00 0.00 0.00 103 D 7.81 4.50 0.00 2.91 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 0.00 104 K 8.18 5.29 0.00 1.61 1.82 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.45 7.81 105 S 9.00 4.79 0.00 3.95 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 0.00 106 V 8.43 4.87 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 1.11 0.00 0.00 0.99 0.00 0.00 107 S 8.62 4.71 0.00 4.00 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 0.00 108 P 0.00 4.23 0.00 2.11 2.13 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 109 F 9.17 4.25 0.00 2.77 3.04 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 0.00 110 E 9.18 4.52 0.00 2.06 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 2.22 2.31 0.00 111 C 8.45 5.14 0.00 2.95 3.04 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 0.00 112 E 8.61 4.56 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 2.41 2.24 0.00 113 A 8.65 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.49 4.27 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.