NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6040 8.2233 119.5385 52.9290 42.5826 177.1798 3 N 4.1117 7.7274 116.1611 54.2391 38.8416 171.9572 4 V 3.5042 7.9632 121.3143 65.9703 31.7724 177.3683 5 A 3.9563 7.5914 119.8787 55.2013 18.2177 179.2517 6 E 3.8377 7.9061 117.2403 59.5097 29.6903 178.3989 7 Y 4.3772 7.7302 116.8278 61.2138 37.9525 178.7079 8 R 3.5523 8.0991 118.8882 59.2383 30.1898 179.2789 9 K 3.8703 7.6849 118.1376 59.3612 31.9986 179.5246 10 L 3.9089 7.8748 119.2144 57.6888 41.4706 179.5380 11 I 3.4371 7.6337 119.8140 64.2731 36.9593 178.6440 12 K 3.0039 7.2898 119.0621 59.0048 31.7665 179.0301 13 Q 3.8607 7.8897 119.7521 59.2832 28.8983 178.6843 14 V 3.3820 7.9001 119.3857 65.9986 31.4790 178.0111 15 L 3.6782 7.9515 118.9361 57.8661 41.4145 179.6746 16 T 3.8523 8.1347 115.8772 66.6372 68.4103 176.6713 17 E 3.9380 8.2211 120.4645 59.5660 29.4166 178.8145 18 Y 3.9820 8.0810 116.9934 61.1125 37.6120 178.4106 19 D 4.1213 7.2779 117.4821 57.2819 41.6462 177.8192 20 N 4.4954 8.0050 116.8626 56.4273 38.6073 177.4186 21 L 4.0135 8.3373 121.0247 57.7900 41.7160 179.7280 22 S 4.2318 8.4681 114.3394 61.3735 62.5466 176.7498 23 R 4.0470 7.7429 120.4526 58.7335 29.8244 177.8670 24 Q 4.2742 7.8129 115.6587 55.2850 29.3278 176.1579 25 S 4.2686 7.2615 115.6736 57.5337 63.0985 172.3977 26 P 4.3308 0.0000 0.0000 66.0835 31.5652 177.7812 27 E 4.0467 7.7085 113.6182 55.5996 30.0937 179.1432 28 T 3.6846 8.3340 116.9065 64.3689 68.8481 173.2495 29 N 4.6502 8.3721 123.3558 51.9326 39.7618 174.2873 30 Y 4.9630 8.0378 120.7684 56.1179 40.1878 175.2771 31 E 4.3540 9.5787 122.2765 57.2411 30.6162 176.3877 32 T 5.3052 8.5324 112.1703 60.2342 72.6512 172.6079 33 C 4.9693 9.3629 118.6927 58.0927 32.6354 173.1939 34 L 5.0991 8.5002 121.8331 53.0990 43.8238 176.5523 35 V 4.1139 8.7691 122.5422 61.3998 34.2021 173.5424 36 F 5.4591 8.6322 126.5781 55.7309 41.2883 174.8443 37 D 4.7591 8.7652 124.0235 52.5564 43.0361 175.9549 38 E 4.4994 8.9161 124.9007 57.2208 30.3171 178.1933 39 N 4.4901 8.3091 116.0715 56.2771 38.9234 176.0262 40 H 4.3926 8.4865 112.3024 55.8396 29.6636 174.7562 41 D 4.4278 7.8952 119.3280 55.8713 38.8508 172.7442 42 N 5.4872 7.2542 114.4189 51.6624 42.7901 174.6975 43 Y 5.4061 9.2766 119.8226 56.5477 41.9695 174.3776 44 L 5.3278 9.6401 124.0941 52.6579 46.4859 175.4555 45 W 5.5759 9.4220 131.3825 55.9467 33.4620 174.1053 46 L 4.9728 9.4334 126.9240 52.7321 45.4604 175.1957 47 A 4.6891 7.7162 123.6359 50.2292 21.0659 176.5193 48 V 3.9173 8.2822 122.8938 62.2307 33.8688 173.0117 49 D 4.5417 8.4488 127.6413 53.4662 45.3602 173.4290 50 W 5.1080 8.7255 118.3871 54.8951 32.7685 175.8745 51 Q 4.5612 9.4360 125.4414 54.7057 30.1765 177.7124 52 G 3.8976 8.4112 117.3385 46.9604 0.0000 172.6188 53 S 4.6269 9.0795 118.6255 57.7620 63.4335 173.2999 54 K 4.2759 8.2866 124.2000 55.4874 32.5139 175.5020 55 R 3.1911 8.4377 127.3393 55.8289 30.8593 175.3107 56 I 3.9536 7.7526 127.9050 59.8139 38.7073 175.2502 57 K 4.5125 8.2231 129.7531 55.6318 33.4333 173.8604 58 Y 4.7633 7.9218 124.6046 55.9029 42.3742 173.5861 59 T 4.5623 8.2419 116.0504 62.2523 69.8495 174.5751 60 Y 4.6343 8.6125 125.3334 60.8208 39.1632 176.3519 61 V 5.1068 7.9477 118.1518 61.7404 35.5716 172.7217 62 H 5.5498 9.5360 127.5435 54.6018 32.6344 172.0520 63 I 5.1185 9.3357 126.6261 59.5321 40.7352 174.5501 64 R 5.1825 9.1361 125.6543 54.6879 33.4667 174.0239 65 I 4.9464 8.6751 127.0277 60.0122 38.3764 175.3984 66 K 4.3751 8.7409 127.6758 56.0310 35.1928 175.4655 67 N 4.2754 9.4889 121.2326 54.5301 36.0297 174.3436 68 E 3.9302 8.6784 113.0756 57.0977 27.1026 173.9010 69 K 4.8768 8.1200 117.4589 54.8516 37.5047 175.5948 70 I 4.1876 8.7666 122.8391 60.5547 38.0627 175.1112 71 Y 4.7009 9.3002 127.4062 56.8539 39.3053 175.6708 72 I 4.3247 8.6714 127.8687 60.5071 37.1583 176.6061 73 E 4.2803 9.1637 128.3995 58.6574 30.3535 177.2713 74 E 4.5548 8.1012 117.8244 55.3185 33.2982 174.1865 75 D 4.5889 7.7509 125.8846 53.9768 42.8531 173.5696 76 Y 4.7363 9.0036 124.1145 57.8208 38.6802 176.6833 77 T 4.2217 8.5189 110.3553 61.2372 69.8025 174.4495 78 E 4.0324 9.0209 126.9211 60.1001 29.8515 178.6036 79 E 4.2041 8.0888 112.5472 56.2993 30.1605 179.0868 80 G 4.1171 8.1287 105.8113 45.9374 0.0000 174.5320 81 I 3.7197 9.6258 124.8862 64.3802 36.8852 178.3873 82 A 3.9131 8.0007 120.0346 55.6877 18.1197 179.2164 83 T 4.0324 7.4085 111.9794 66.9325 68.9694 176.1297 84 E 4.1977 8.0895 120.6323 58.9632 29.7362 179.1340 85 L 4.0190 7.8917 116.6098 55.3366 41.2821 178.8744 *87 R 4.2441 7.9577 121.2367 56.2443 31.5907 175.9277 88 L 4.2913 7.6677 114.8564 54.7539 41.7143 177.3127 89 G 4.0094 8.2413 107.0211 44.9380 0.0000 173.9250 90 V 3.8181 7.5014 120.1958 62.4024 32.2649 175.8759 91 T 4.1684 8.3737 121.4221 61.6883 68.3447 174.9072 92 N 4.4572 8.6640 124.0897 56.2887 38.7474 176.7163 93 N 4.4615 8.1251 114.9487 55.5757 39.4460 174.5876 94 D 4.9729 8.2116 117.0317 54.2769 42.5222 175.4439 95 I 4.8596 7.8097 120.2102 59.3414 40.5312 174.5732 96 V 4.3348 8.5767 126.7910 60.9519 34.0383 175.0770 97 L 3.6628 8.0491 128.6490 53.5901 39.7443 177.2734 98 A 4.0147 8.2764 124.6110 53.5488 18.9186 179.1476 99 F 4.4492 7.4121 109.6816 58.4338 38.4530 175.1988 100 H 4.8863 7.2121 119.1564 53.6138 30.0403 173.3440 101 P 4.3232 0.0000 0.0000 62.4404 31.9581 175.3679 102 P 4.2205 0.0000 0.0000 65.9556 31.2859 177.7577 103 D 4.6396 8.1085 113.8293 54.6933 39.6337 176.7517 104 V 4.6686 7.9022 113.0397 61.6594 33.1735 178.0108 105 R 3.9493 7.8797 119.9478 58.8183 29.9885 178.8787 106 K 3.8911 7.7630 115.6169 58.8580 32.4915 177.3479 107 F 4.5136 7.7580 117.4381 57.8542 39.3015 175.4657 108 T 4.5357 7.4528 111.4418 60.1965 70.5487 174.1508 109 D 4.4484 8.4642 118.7385 54.4296 40.6244 175.9283 110 F 4.6564 7.4734 117.2373 54.6807 42.1156 174.8501 111 A 4.1535 8.1660 124.7431 52.7222 18.5969 178.3165 112 T 3.9846 8.3939 117.4235 66.2199 69.0388 174.9610 113 A 4.3829 7.5065 126.9072 52.9705 19.0452 175.5814 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 D 8.22 4.60 0.00 2.62 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 3 N 7.73 4.11 0.00 2.58 2.23 0.00 0.00 6.77 6.79 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 4 V 7.96 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 1.08 0.00 0.00 0.98 0.00 0.00 5 A 7.59 3.96 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.91 3.84 0.00 1.98 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 2.34 2.49 0.00 7 Y 7.73 4.38 0.00 3.14 2.83 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 8 R 8.10 3.55 0.00 1.96 1.91 0.00 3.17 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 9 K 7.68 3.87 0.00 1.87 1.80 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.61 7.81 10 L 7.87 3.91 0.00 1.99 1.63 0.98 0.91 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 11 I 7.63 3.44 1.25 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.52 0.00 0.00 12 K 7.29 3.00 0.00 1.54 1.44 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 0.53 7.81 13 Q 7.89 3.86 0.00 2.11 2.24 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 2.33 0.00 14 V 7.90 3.38 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 0.35 0.00 0.00 0.82 0.00 0.00 15 L 7.95 3.68 0.00 1.87 1.81 1.21 1.03 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 16 T 8.13 3.85 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 1.24 0.00 0.00 17 E 8.22 3.94 0.00 2.04 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 2.32 2.48 0.00 18 Y 8.08 3.98 0.00 2.52 1.95 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 19 D 7.28 4.12 0.00 2.09 2.66 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 20 N 8.01 4.50 0.00 2.90 2.84 0.00 0.00 7.08 6.85 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 21 L 8.34 4.01 0.00 1.59 1.64 0.94 0.79 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 22 S 8.47 4.23 0.00 4.16 4.52 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 23 R 7.74 4.05 0.00 1.83 2.06 0.00 3.41 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 24 Q 7.81 4.27 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 25 S 7.26 4.27 0.00 3.82 3.91 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 0.00 0.00 0.00 26 P 0.00 4.33 0.00 2.20 2.15 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 27 E 7.71 4.05 0.00 2.05 1.80 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 2.27 2.17 0.00 28 T 8.33 3.68 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 0.85 0.00 0.00 29 N 8.37 4.65 0.00 2.61 2.73 0.00 0.00 7.03 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 30 Y 8.04 4.96 0.00 2.97 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 31 E 9.58 4.35 0.00 2.07 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 2.40 2.48 0.00 32 T 8.53 5.31 4.72 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 1.60 0.00 0.00 33 C 9.36 4.97 0.00 2.79 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 34 L 8.50 5.10 0.00 1.17 0.65 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.77 4.11 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 1.02 0.00 0.00 0.90 0.00 0.00 36 F 8.63 5.46 0.00 3.05 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 37 D 8.77 4.76 0.00 2.61 2.49 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 38 E 8.92 4.50 0.00 2.07 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 2.60 2.45 0.00 39 N 8.31 4.49 0.00 2.69 2.75 0.00 0.00 6.98 8.16 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 40 H 8.49 4.39 0.00 3.16 3.32 0.00 6.00 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.90 4.43 0.00 2.91 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 42 N 7.25 5.49 0.00 2.50 2.64 0.00 0.00 6.73 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 43 Y 9.28 5.41 0.00 2.94 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 44 L 9.64 5.33 0.00 1.63 1.60 0.83 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 W 9.42 5.58 0.00 3.52 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 46 L 9.43 4.97 0.00 1.46 1.29 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.72 4.69 -0.12 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 48 V 8.28 3.92 1.98 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 0.61 0.00 0.00 0.78 0.00 0.00 49 D 8.45 4.54 0.00 2.62 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 0.00 0.00 0.00 0.00 50 W 8.73 5.11 0.00 3.22 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 51 Q 9.44 4.56 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 52 G 8.41 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 53 S 9.08 4.63 0.00 3.91 3.94 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 54 K 8.29 4.28 0.00 1.84 1.90 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.34 7.81 55 R 8.44 3.19 0.00 1.21 1.51 0.00 2.44 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.26 0.00 56 I 7.75 3.95 1.27 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.00 0.03 0.00 0.00 57 K 8.22 4.51 0.00 1.36 1.46 0.00 1.39 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.15 1.32 7.81 58 Y 7.92 4.76 0.00 2.75 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 59 T 8.24 4.56 4.43 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 1.36 0.00 0.00 60 Y 8.61 4.63 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 5.11 2.50 0.00 0.00 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 1.32 0.00 0.00 62 H 9.54 5.55 0.00 3.29 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 9.34 5.12 2.04 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 1.17 0.81 0.99 0.00 0.00 64 R 9.14 5.18 0.00 1.96 1.73 0.00 3.04 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.72 0.00 65 I 8.68 4.95 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 1.04 0.00 0.00 66 K 8.74 4.38 0.00 1.37 0.74 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.90 1.13 7.81 67 N 9.49 4.28 0.00 3.06 2.97 0.00 0.00 7.06 7.66 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 68 E 8.68 3.93 0.00 2.19 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 0.00 2.23 2.35 0.00 69 K 8.12 4.88 0.00 2.07 1.85 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.70 7.81 70 I 8.77 4.19 1.67 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.03 0.82 0.00 0.00 71 Y 9.30 4.70 0.00 2.99 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 72 I 8.67 4.32 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 1.11 0.00 0.00 73 E 9.16 4.28 0.00 1.85 2.02 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 2.52 2.23 0.00 74 E 8.10 4.55 0.00 2.10 1.84 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 2.34 2.23 0.00 75 D 7.75 4.59 0.00 2.60 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 0.00 0.00 0.00 0.00 76 Y 9.00 4.74 0.00 2.97 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 77 T 8.52 4.22 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 1.62 0.00 0.00 78 E 9.02 4.03 0.00 2.22 2.02 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 2.29 1.88 0.00 79 E 8.09 4.20 0.00 2.03 1.84 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 2.20 1.87 0.00 80 G 8.13 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 81 I 9.63 3.72 1.89 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 1.70 0.87 0.83 0.00 0.00 82 A 8.00 3.91 1.04 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 0.00 0.00 83 T 7.41 4.03 4.43 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 1.27 0.00 0.00 84 E 8.09 4.20 0.00 2.20 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 0.00 2.36 2.41 0.00 85 L 7.89 4.02 0.00 1.82 1.57 0.80 0.49 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 *87 R 7.96 4.24 0.00 2.08 2.02 0.00 3.41 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 1.53 1.69 0.00 88 L 7.67 4.29 0.00 1.85 1.67 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.24 4.01 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 0.00 0.00 0.00 90 V 7.50 3.82 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 0.47 0.00 0.00 0.85 0.00 0.00 91 T 8.37 4.17 4.27 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 1.29 0.00 0.00 92 N 8.66 4.46 0.00 2.73 2.73 0.00 0.00 6.63 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 93 N 8.13 4.46 0.00 2.64 2.85 0.00 0.00 6.89 8.47 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 94 D 8.21 4.97 0.00 2.88 2.63 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 0.00 0.00 0.00 95 I 7.81 4.86 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.97 0.63 0.00 0.00 96 V 8.58 4.33 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 0.00 0.00 0.53 0.00 0.00 0.44 0.00 0.00 97 L 8.05 3.66 0.00 1.10 0.22 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.28 4.01 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 99 F 7.41 4.45 0.00 3.00 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 0.00 100 H 7.21 4.89 0.00 3.16 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.32 0.00 2.35 2.02 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 102 P 0.00 4.22 0.00 2.19 2.15 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 103 D 8.11 4.64 0.00 2.82 2.82 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 0.00 104 V 7.90 4.67 2.23 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 0.80 0.00 0.00 1.05 0.00 0.00 105 R 7.88 3.95 0.00 1.78 1.92 0.00 3.16 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 106 K 7.76 3.89 0.00 1.52 1.71 0.00 1.08 0.00 0.00 1.45 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.96 0.21 7.81 107 F 7.76 4.51 0.00 3.25 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 0.00 108 T 7.45 4.54 4.45 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 1.41 0.00 0.00 109 D 8.46 4.45 0.00 2.26 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 0.00 0.00 0.00 0.00 110 F 7.47 4.66 0.00 2.96 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 0.00 111 A 8.17 4.15 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 0.00 112 T 8.39 3.98 4.19 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 1.16 0.00 0.00 113 A 7.51 4.38 1.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.