NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3575 0.0000 0.0000 62.3446 32.7331 175.3826 3 R 4.1187 8.4475 123.6044 54.5069 31.1503 174.2668 4 A 4.5639 8.9534 128.3896 49.4796 20.3478 175.2653 5 K 3.9714 8.4473 119.8346 57.5950 32.6170 177.7943 6 T 3.9072 8.7848 118.5002 64.8527 69.3082 175.3197 7 G 3.8460 7.8879 109.5485 46.5229 0.0000 174.2698 8 V 3.7345 8.3374 117.5001 65.2066 32.5574 178.9329 9 V 3.5192 7.4368 119.6882 66.1260 31.1682 177.8962 10 R 3.8232 7.9276 117.4860 59.5776 30.1561 178.0057 11 R 3.9461 8.1085 117.9854 59.7712 29.8897 178.4736 12 R 3.9541 8.0093 117.5518 59.1046 29.9506 179.0929 13 K 3.9581 7.8838 118.0879 59.8725 31.9964 178.9856 14 H 4.2722 8.6527 117.1698 58.6251 28.7943 177.8314 15 K 3.9798 8.2555 120.5911 59.9055 32.2050 178.7270 16 K 3.8246 8.0289 120.7204 59.6310 32.1405 178.8268 17 I 3.7030 7.3877 119.8919 64.3292 36.8677 178.1962 18 L 3.9853 8.3180 120.1335 57.9826 42.0775 178.9834 19 K 4.0832 8.1292 118.6442 59.3790 31.7895 179.2356 20 L 3.9503 7.2186 117.2213 57.3011 41.3395 178.5413 21 A 3.8736 7.6423 118.3987 50.9170 19.0383 177.2420 22 K 3.7908 7.0201 118.0458 57.5605 32.5418 176.9015 23 G 4.1189 8.8240 110.5809 46.1426 0.0000 175.7957 24 Y 4.9661 7.0360 119.7767 57.6712 38.1877 174.7060 25 W 4.8195 8.9013 132.8874 57.3028 34.7748 176.7753 26 G 3.8263 7.6858 111.3928 46.5148 0.0000 174.8161 27 L 4.0940 8.4711 118.2249 57.2967 42.1119 178.9742 28 R 4.0592 8.1709 119.0311 58.3655 30.0776 177.3973 29 S 4.6911 8.1583 110.9097 58.0723 63.3411 174.4753 30 K 4.6076 8.4240 116.7022 56.4025 34.2722 175.7879 31 S 4.3777 7.4946 113.0763 57.8011 65.2413 174.4790 *33 R 4.3054 8.4046 114.5614 56.3086 31.2198 177.4493 34 K 3.9503 7.7819 118.3591 59.5062 31.8729 178.6684 35 A 4.7491 8.2454 122.6437 54.5774 18.2672 179.3486 36 R 3.6183 7.9142 117.0988 59.7591 30.0022 178.2394 37 E 4.3694 8.3862 117.5270 60.2250 29.4676 179.4963 38 T 3.8325 7.9106 115.3673 66.5709 68.2754 176.7087 39 L 3.9897 8.2573 121.3089 57.7624 41.6227 179.3158 40 F 4.2249 7.7095 117.4777 60.6062 38.8207 177.6661 41 A 3.6483 7.8168 119.9923 55.0889 18.1794 179.5560 42 A 4.1156 8.1357 119.5929 55.1192 18.5220 179.9519 43 G 3.5987 9.0614 105.3921 48.3159 0.0000 175.7699 44 N 4.6163 8.3948 119.3470 55.2674 38.4897 177.2960 45 Y 4.5032 8.1655 118.7957 60.9551 38.1791 177.6621 46 A 4.1337 8.6745 122.2212 55.3875 18.2542 179.1026 47 Y 4.0242 8.1320 117.4165 60.8429 38.9323 178.0695 48 A 3.9160 8.0393 121.5187 55.3346 18.6924 178.8246 49 H 4.4535 8.6987 113.5797 57.3977 28.0522 177.6957 50 R 3.9502 7.7043 121.4825 59.1560 30.0085 178.3835 51 K 4.0562 7.5631 118.1536 59.2851 31.9986 179.6219 52 R 3.9164 7.8575 118.5572 59.1292 29.4438 178.8730 53 R 4.4718 7.8136 119.5585 58.6832 29.8505 178.8259 54 K 3.9447 7.4943 114.9905 59.6076 32.2709 179.3779 55 R 3.8592 7.4699 117.5547 59.3422 29.8056 178.7112 56 D 4.2189 8.5817 118.8053 57.6727 40.8624 179.0953 57 F 3.3575 7.8361 117.0119 59.5966 38.5324 177.8700 58 R 3.7568 7.8049 118.3926 59.7487 29.9819 179.2188 59 R 3.8498 7.6603 116.7636 58.6340 29.9080 178.6772 60 L 3.7283 7.3208 120.4412 58.0928 41.8490 179.2800 61 W 4.5000 7.8339 118.6912 59.8114 29.0266 178.5080 62 I 3.6627 7.5343 119.7702 64.5615 36.4460 178.6371 63 V 3.6228 7.8806 118.9246 65.7880 31.3236 178.3346 64 R 3.9105 7.6121 116.4563 59.3317 30.0037 178.8757 65 I 3.7720 8.5774 120.0369 64.5721 37.1994 177.9291 66 N 4.5421 8.9716 117.6991 56.9645 38.6479 176.8239 67 A 4.1115 8.1416 120.4618 54.8178 18.6256 179.2376 68 A 4.1111 8.0094 120.1284 55.4660 18.5922 179.5712 69 C 4.5483 8.8429 112.2615 60.8896 29.6845 175.7671 70 R 4.2007 8.0013 122.2184 58.5255 29.6779 177.7140 71 Q 4.1313 8.0372 119.1775 59.3727 29.1255 177.3087 72 H 4.4594 8.0901 116.2378 57.4011 30.2741 175.3963 73 G 4.2989 8.0345 110.6491 44.3631 0.0000 172.7462 74 L 4.3903 7.1999 118.1402 54.0634 43.1510 174.7734 75 N 4.6641 8.1408 117.5455 53.0736 40.5382 175.8876 76 Y 4.1904 8.4330 122.3614 61.0452 38.9309 178.6898 77 S 4.1703 8.3680 114.7641 61.7933 62.9321 176.5360 78 T 3.8861 7.8213 118.8099 66.3778 68.1766 175.9502 79 F 4.0226 8.6569 122.9280 61.5925 39.4084 177.0956 80 I 3.5758 7.9318 119.3440 64.6287 36.9409 177.7698 81 H 4.2365 8.3205 119.1565 59.3695 29.5066 177.4311 82 G 3.5226 7.9250 107.1376 47.8077 0.0000 175.7483 83 L 3.9404 7.7813 121.5960 57.3626 41.4637 179.5301 84 K 3.9799 8.3509 118.7969 58.9885 32.4576 178.7473 85 K 4.0937 7.8380 118.6703 59.1042 32.1018 179.0199 86 A 4.1499 8.4032 119.7867 52.6947 18.9114 176.9210 87 G 3.6756 7.6845 103.6833 47.0540 0.0000 175.6351 88 I 4.3782 7.4465 112.6600 58.1523 37.4536 175.8169 89 E 4.0833 8.4226 127.6784 58.0608 29.9041 177.8891 90 V 3.6553 7.1699 117.7950 66.0486 31.1662 177.7132 91 D 4.6112 7.7369 123.7042 52.0777 39.2089 174.3142 92 R 4.0682 7.8234 119.2711 55.3708 30.2386 178.7225 93 K 3.8482 8.9092 121.1747 59.7016 31.7871 178.7536 94 N 2.0000 7.4613 116.5142 55.8698 38.6241 176.1662 95 L 4.4260 7.4728 117.5587 54.6473 42.1445 178.3165 96 A 4.4120 7.6927 123.3666 53.0903 17.8348 178.6842 97 D 4.4421 7.6795 117.8374 54.7294 39.3651 178.0291 98 L 4.2463 8.1766 122.6028 57.0739 41.3725 178.7870 99 A 3.5049 7.6304 120.5648 54.5741 18.4482 178.5026 100 V 3.8262 7.9836 114.6544 64.6950 32.2315 176.3186 101 R 4.2361 7.4871 120.5211 55.6392 30.5218 175.1999 102 E 4.0647 8.7868 124.5177 56.5403 26.3254 173.5616 103 P 4.4001 0.0000 0.0000 65.8589 31.7722 178.6625 104 Q 4.0674 8.1583 117.5234 58.7979 28.6345 178.7399 105 V 3.5935 7.6637 119.0018 66.1243 31.6152 177.8311 106 F 4.1419 8.4013 119.6129 61.1243 39.1276 176.7154 107 A 3.7845 8.5689 120.8798 55.2494 18.2109 179.3310 108 E 3.7927 8.3207 117.7113 59.2365 29.7485 178.9884 109 L 3.8777 7.7572 119.3328 57.4202 41.5283 179.6322 110 V 2.8223 7.2023 118.3512 65.7032 31.5013 177.8859 111 E 3.8644 8.0629 118.5426 59.4363 29.1668 179.6104 112 R 3.8300 8.0932 117.9445 59.2266 30.0118 178.9956 113 A 3.8921 7.5682 120.0545 54.7793 18.1019 179.7824 114 K 3.8067 8.1537 117.2629 59.7671 31.9786 179.4587 115 A 3.9122 7.6507 118.9574 54.8623 18.4037 179.1711 116 A 4.0233 8.0910 119.0637 55.0892 18.4059 179.5455 117 Q 4.0928 7.7959 117.7694 57.5952 29.3762 176.1985 118 G 3.7638 7.2912 111.4674 46.4606 0.0000 172.5851 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 2 P 0.00 4.36 0.00 2.06 2.07 0.00 3.63 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 1.92 2.08 0.00 3 R 8.45 4.12 0.00 1.84 1.81 0.00 3.17 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 4 A 8.95 4.56 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 5 K 8.45 3.97 0.00 1.76 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.43 7.81 6 T 8.78 3.91 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 1.22 0.00 0.00 7 G 7.89 3.85 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 0.00 0.00 0.00 8 V 8.34 3.73 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 7.44 3.52 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 0.93 0.00 0.00 0.97 0.00 0.00 10 R 7.93 3.82 0.00 1.94 1.94 0.00 3.31 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 11 R 8.11 3.95 0.00 1.93 2.08 0.00 3.23 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 12 R 8.01 3.95 0.00 2.09 1.95 0.00 3.18 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 1.65 1.67 0.00 13 K 7.88 3.96 0.00 1.96 1.78 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.68 7.81 14 H 8.65 4.27 0.00 3.22 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.26 3.98 0.00 1.99 2.09 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.46 7.81 16 K 8.03 3.82 0.00 2.01 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.48 7.81 17 I 7.39 3.70 1.97 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 1.34 0.77 0.88 0.00 0.00 18 L 8.32 3.99 0.00 1.69 1.70 0.93 0.70 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 19 K 8.13 4.08 0.00 1.95 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.80 7.81 20 L 7.22 3.95 0.00 1.92 1.68 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.64 3.87 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 22 K 7.02 3.79 0.00 1.84 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.48 7.81 23 G 8.82 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 0.00 0.00 0.00 24 Y 7.04 4.97 0.00 3.05 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 25 W 8.90 4.82 0.00 3.45 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 26 G 7.69 3.83 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 0.00 0.00 0.00 27 L 8.47 4.09 0.00 1.78 1.77 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.17 4.06 0.00 2.02 2.40 0.00 3.06 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 29 S 8.16 4.69 0.00 4.07 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 30 K 8.42 4.61 0.00 1.70 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.47 7.81 31 S 7.49 4.38 0.00 3.99 3.97 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 0.00 0.00 0.00 *33 R 8.40 4.31 0.00 2.11 2.32 0.00 3.03 0.00 0.00 3.37 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 34 K 7.78 3.95 0.00 2.00 1.98 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.66 7.81 35 A 8.25 4.75 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 36 R 7.91 3.62 0.00 1.92 2.20 0.00 3.20 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.52 0.00 37 E 8.39 4.37 0.00 2.30 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 0.00 2.53 2.53 0.00 38 T 7.91 3.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 39 L 8.26 3.99 0.00 1.46 1.52 0.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.71 4.22 0.00 3.31 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 41 A 7.82 3.65 1.03 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 0.00 0.00 42 A 8.14 4.12 1.46 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 43 G 9.06 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.39 4.62 0.00 2.73 2.95 0.00 0.00 7.16 7.10 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 45 Y 8.17 4.50 0.00 3.16 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 46 A 8.67 4.13 1.49 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 47 Y 8.13 4.02 0.00 3.16 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 48 A 8.04 3.92 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 49 H 8.70 4.45 0.00 3.23 3.31 0.00 5.62 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 50 R 7.70 3.95 0.00 2.15 1.83 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 51 K 7.56 4.06 0.00 1.79 1.73 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.12 1.37 7.81 52 R 7.86 3.92 0.00 1.91 1.97 0.00 3.27 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 53 R 7.81 4.47 0.00 2.12 2.05 0.00 3.13 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 54 K 7.49 3.94 0.00 2.03 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.51 7.81 55 R 7.47 3.86 0.00 2.06 1.93 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 56 D 8.58 4.22 0.00 2.82 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 57 F 7.84 3.36 0.00 2.53 1.57 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 58 R 7.80 3.76 0.00 1.91 1.98 0.00 3.09 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 59 R 7.66 3.85 0.00 1.73 1.84 0.00 3.04 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 60 L 7.32 3.73 0.00 1.40 1.08 0.14 1.09 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 61 W 7.83 4.50 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 62 I 7.53 3.66 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.78 0.18 0.00 0.00 63 V 7.88 3.62 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 1.08 0.00 0.00 0.88 0.00 0.00 64 R 7.61 3.91 0.00 2.16 1.98 0.00 3.37 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 65 I 8.58 3.77 2.29 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.94 0.00 0.00 66 N 8.97 4.54 0.00 2.91 2.88 0.00 0.00 7.21 8.12 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 67 A 8.14 4.11 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 68 A 8.01 4.11 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 69 C 8.84 4.55 0.00 3.37 3.84 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 70 R 8.00 4.20 0.00 2.14 2.07 0.00 3.15 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 71 Q 8.04 4.13 0.00 2.11 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 72 H 8.09 4.46 0.00 3.36 3.33 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.03 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 0.00 0.00 0.00 0.00 74 L 7.20 4.39 0.00 1.79 1.71 0.75 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.14 4.66 0.00 2.91 2.88 0.00 0.00 6.52 7.48 0.00 0.00 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 Y 8.43 4.19 0.00 3.35 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 77 S 8.37 4.17 0.00 4.16 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 0.00 78 T 7.82 3.89 4.54 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 1.22 0.00 0.00 79 F 8.66 4.02 0.00 3.12 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 80 I 7.93 3.58 1.63 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.11 0.84 0.00 0.00 81 H 8.32 4.24 0.00 3.30 3.57 0.00 5.79 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 82 G 7.92 3.52 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 0.00 83 L 7.78 3.94 0.00 1.87 1.73 1.19 1.06 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 84 K 8.35 3.98 0.00 1.75 1.96 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 85 K 7.84 4.09 0.00 1.96 1.74 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.48 7.81 86 A 8.40 4.15 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 87 G 7.68 3.68 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 0.00 0.00 0.00 88 I 7.45 4.38 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 1.32 0.94 0.90 0.00 0.00 89 E 8.42 4.08 0.00 1.94 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 2.28 2.29 0.00 90 V 7.17 3.66 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 0.74 0.00 0.00 0.92 0.00 0.00 91 D 7.74 4.61 0.00 2.73 2.57 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 92 R 7.82 4.07 0.00 1.98 2.00 0.00 2.95 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 93 K 8.91 3.85 0.00 2.04 2.17 0.00 1.85 0.00 0.00 1.98 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.59 7.81 94 N 7.46 2.00 0.00 1.44 2.12 0.00 0.00 7.26 6.66 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 95 L 7.47 4.43 0.00 1.56 1.62 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.69 4.41 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 97 D 7.68 4.44 0.00 2.81 2.99 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 98 L 8.18 4.25 0.00 2.02 2.01 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.63 3.50 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.83 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 0.80 0.00 0.00 0.89 0.00 0.00 101 R 7.49 4.24 0.00 2.04 1.86 0.00 3.32 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 1.60 1.58 0.00 102 E 8.79 4.06 0.00 2.20 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 2.31 2.24 0.00 103 P 0.00 4.40 0.00 2.33 2.34 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 104 Q 8.16 4.07 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 105 V 7.66 3.59 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 1.04 0.00 0.00 0.96 0.00 0.00 106 F 8.40 4.14 0.00 3.23 3.30 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 0.00 107 A 8.57 3.78 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 0.00 108 E 8.32 3.79 0.00 2.18 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 0.00 2.26 2.32 0.00 109 L 7.76 3.88 0.00 1.73 1.62 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.20 2.82 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 0.73 0.00 0.00 0.40 0.00 0.00 111 E 8.06 3.86 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 112 R 8.09 3.83 0.00 1.89 1.91 0.00 3.25 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 113 A 7.57 3.89 1.10 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 0.00 0.00 114 K 8.15 3.81 0.00 1.80 1.80 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.49 7.81 115 A 7.65 3.91 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 0.00 116 A 8.09 4.02 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 0.00 117 Q 7.80 4.09 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 118 G 7.29 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.