NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2473 8.3144 119.9989 55.7477 34.5110 175.3479 2 E 3.7120 8.2393 120.8575 55.4011 29.9177 175.8419 3 T 4.1764 8.7725 118.4853 61.2518 72.0304 174.8533 4 A 3.9929 8.5412 123.6079 55.4041 18.4859 179.9353 5 A 4.1342 8.0324 118.5149 55.3834 18.5442 179.6006 6 A 4.0151 8.1272 119.3448 55.0572 18.3487 179.7818 7 K 4.0464 8.3647 118.3947 59.5231 32.2983 178.7224 8 F 4.1066 8.3365 120.9717 61.5345 39.4616 176.9871 9 E 4.0594 8.3950 118.0918 59.3436 29.0117 179.4016 10 R 3.8931 7.8782 117.8376 59.6413 30.2935 178.3549 11 Q 3.9565 8.0107 116.6769 58.2178 28.9229 176.4450 12 H 4.6871 7.9217 113.8768 53.7802 31.8270 173.1671 13 M 4.6096 7.8033 118.1706 53.7738 33.1652 176.6320 14 D 4.8161 8.9922 123.9639 52.6749 41.6320 173.9252 15 S 4.4899 8.3958 119.3626 58.9978 64.0916 175.2704 16 S 3.6641 8.2559 121.1625 60.0339 59.6816 172.0473 17 T 4.3264 7.6541 115.5762 60.8621 69.8210 177.7517 18 S 4.4123 8.3498 122.6364 56.9403 62.8707 174.8559 *21 S 4.3046 8.1138 122.0159 56.7196 63.9535 171.8485 22 S 4.4415 8.1270 114.5692 59.3801 63.1702 176.0543 23 S 4.1893 8.6667 117.9700 60.9174 62.5994 174.5301 24 N 4.8602 8.0537 116.1947 53.3167 38.8777 175.6688 25 Y 4.0357 7.9562 121.2841 61.3695 38.6312 177.9914 26 C 4.1737 8.4065 117.0793 59.9159 38.5347 175.6989 27 N 4.3878 8.2366 117.6679 56.4419 38.1710 177.0569 28 Q 3.7306 7.9713 120.5777 59.5199 29.2393 178.0640 29 M 3.7810 7.6722 121.3490 58.0225 31.8490 178.7724 30 M 4.0620 8.0213 118.9367 57.8985 31.9905 178.9079 31 K 4.0354 7.7889 121.2554 59.0181 32.3140 179.2147 32 S 4.2197 8.1082 114.1760 60.6062 62.6370 175.4214 33 R 4.4309 7.5788 119.8525 55.0457 30.1525 175.6611 34 N 4.2497 7.9101 114.7219 54.7770 36.5825 174.7805 35 L 4.6009 8.0805 115.7824 54.8780 41.6880 177.7772 36 T 4.9793 7.5417 106.6731 60.0149 69.4707 175.3848 37 K 3.9812 8.3179 123.0622 59.6417 32.2677 177.0882 38 D 4.8171 8.1959 115.9934 53.5923 43.0826 176.2942 39 R 4.0579 7.2287 113.4763 54.3462 32.4203 174.4718 40 C 4.7210 8.5666 116.6389 55.8411 40.5494 173.7540 41 K 4.1968 8.5782 127.4126 55.8153 32.2365 174.7565 42 P 4.6863 0.0000 0.0000 65.0839 32.4890 176.7021 43 V 4.9856 7.6388 117.4772 61.1405 34.4372 174.2736 44 N 4.8504 9.2091 125.0762 52.5300 42.8430 172.8439 45 T 4.8271 7.8791 120.3873 61.6261 71.9244 172.7743 46 F 4.9167 8.9934 124.4919 55.6703 42.0427 174.6074 47 V 4.5653 9.1809 123.1805 61.6723 33.6751 175.4829 48 H 5.5693 8.9226 123.0760 55.0936 30.2348 174.8249 49 E 4.5110 8.1676 118.4248 55.2634 30.4760 177.0307 50 S 4.3397 8.3394 114.9991 58.3033 64.9142 174.8489 51 L 3.9732 8.5985 124.6647 58.4623 41.8208 179.1524 52 A 4.0101 8.0466 120.0419 55.4933 18.1111 179.2180 53 D 4.3246 7.8807 116.0834 57.4275 41.2297 178.9548 54 V 3.7850 7.9146 118.8568 66.1322 31.6097 178.1953 55 Q 3.9235 8.6084 117.9911 58.7313 28.5184 178.5104 56 A 4.0529 8.0289 121.5046 54.4545 18.2947 179.5924 57 V 3.4553 7.5246 116.9914 66.0384 31.2845 176.9091 58 C 3.7414 7.6594 114.2959 57.8876 39.8837 174.1384 59 S 4.6771 7.4325 114.3599 57.9566 63.8252 174.4620 60 Q 4.1141 7.2258 120.2875 56.2118 30.5989 178.5276 61 K 4.2946 8.4260 133.8176 56.5138 32.5744 174.9630 62 N 4.2944 8.7409 127.3718 53.7770 39.5931 174.3156 63 V 4.5904 8.5120 118.4043 59.2165 36.6762 174.9813 64 A 4.3201 8.4166 124.9365 52.3511 19.1495 178.4448 65 C 4.7643 8.6652 118.5531 55.8123 41.3885 175.2942 66 K 3.7736 8.9752 121.7386 59.6868 31.6188 178.1386 67 N 4.5064 8.0247 113.0322 53.1464 37.6912 175.7815 68 G 3.9565 7.9646 108.3459 45.3805 0.0000 174.2381 69 Q 4.1629 8.4287 119.3073 56.3925 29.1837 176.7030 70 T 4.5527 8.3369 109.0396 61.6987 69.2925 174.3871 71 N 5.0401 7.8184 119.3569 53.3706 38.6615 174.7774 72 C 5.2854 7.5430 115.0560 56.8882 44.3179 172.6025 73 Y 5.1421 8.9271 118.7984 56.4531 42.0687 173.9288 74 Q 5.0345 9.1643 125.9941 54.3148 31.0883 174.8851 75 S 4.4840 8.7333 122.1129 58.6994 63.0958 174.2363 76 Y 4.5019 9.3101 122.3669 60.7317 37.9279 176.8130 77 S 4.8722 7.8531 113.9585 56.8107 64.8518 173.9223 78 T 4.1028 8.1263 112.9370 62.1769 69.6425 173.4321 79 M 4.9106 8.8966 122.3423 53.2309 36.5834 174.8688 80 S 4.8152 9.2566 117.6594 58.6472 63.6168 173.1066 81 I 5.1942 8.9387 120.0633 59.5092 41.8594 174.1974 82 T 5.1024 8.8691 118.6356 61.9922 72.2178 172.9555 83 D 4.9867 9.1386 127.0226 53.5260 42.8217 174.7448 84 C 5.5710 9.4022 121.2236 55.1969 43.2579 172.9861 85 R 5.2285 8.7231 123.5352 54.2327 33.1317 174.1053 86 E 4.2079 9.3180 126.6171 56.9651 30.1164 177.4497 87 T 4.1646 8.1515 114.1649 61.0630 69.6565 174.8701 88 G 3.7401 8.4727 109.4484 47.2189 0.0000 174.4270 89 S 4.6394 7.4405 113.7601 58.0030 63.7708 174.2710 90 S 4.2349 7.7734 115.3210 58.1080 63.0057 173.4790 91 K 4.4203 8.1860 125.4889 55.1015 34.9594 174.6241 92 Y 4.3968 8.7914 127.7241 57.7277 39.1417 174.2358 93 P 3.3317 0.0000 0.0000 62.4999 31.9930 176.5903 94 N 4.6926 7.6745 119.4047 52.0786 37.3492 171.8248 95 C 4.2972 8.2174 117.6065 56.3024 37.6478 172.9682 96 A 5.0756 8.7228 126.6495 50.2916 21.3497 174.5673 97 Y 5.1523 9.3565 119.4433 56.1110 42.0484 175.1384 98 K 4.5587 9.0918 122.1397 55.6959 34.1568 175.6734 99 T 4.8975 8.5638 121.5055 62.5623 70.1461 174.2773 100 T 4.6120 8.7099 122.6934 61.7586 71.9281 173.5708 101 Q 4.6745 8.8404 125.5403 56.0075 29.9297 175.1136 102 A 4.6360 8.7136 122.7031 51.1931 23.6727 175.1518 103 N 5.3571 8.6611 115.4973 51.7456 41.1549 174.1951 104 K 4.7497 8.7688 122.2751 54.6301 37.5669 175.7103 105 H 4.8127 8.8433 119.3081 55.9419 29.8746 174.7941 106 I 4.7872 8.5767 115.8150 59.3412 40.5384 174.4267 107 I 4.8499 8.2292 124.9124 59.7278 39.8713 175.0672 108 V 4.8362 8.5866 119.5431 59.2890 35.9512 174.5735 109 A 4.9411 8.6801 125.0051 51.3699 20.3403 175.7376 110 C 5.1198 8.7046 119.3561 55.1926 40.9750 173.1998 111 E 4.6775 8.6831 121.7179 56.4871 33.6247 175.5432 112 G 3.8540 9.4829 111.2423 44.6222 0.0000 171.3839 113 N 5.0193 8.1858 116.2590 50.6459 40.5497 172.4342 114 P 4.3408 0.0000 0.0000 62.8210 31.9400 175.9879 115 Y 4.8649 8.2483 121.2794 56.8435 38.4671 174.4670 116 V 4.4408 7.9076 118.7194 58.1931 36.7052 173.3717 117 P 4.5038 0.0000 0.0000 62.9632 31.1413 177.0117 118 V 4.4722 8.6033 115.2903 61.1582 33.8654 175.2058 119 H 4.9635 7.8563 119.6170 54.9950 33.4362 171.9261 120 F 4.6748 8.7506 128.2167 57.3061 39.1551 174.5364 121 D 4.5869 8.5781 127.4062 56.5558 41.8026 175.8560 122 A 4.5740 6.6382 117.1409 51.4022 22.4693 174.8154 123 S 5.1789 8.8718 113.4684 56.6315 66.0406 174.6957 124 V 4.1395 8.7666 115.0628 61.6294 32.2519 175.4843 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 K 8.31 4.25 0.00 1.89 2.00 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 2 E 8.24 3.71 0.00 2.04 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 2.32 2.38 0.00 3 T 8.77 4.18 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 4 A 8.54 3.99 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 5 A 8.03 4.13 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 6 A 8.13 4.02 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 7 K 8.36 4.05 0.00 1.96 2.04 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 8 F 8.34 4.11 0.00 3.27 3.25 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 9 E 8.39 4.06 0.00 2.30 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 0.00 2.54 2.70 0.00 10 R 7.88 3.89 0.00 1.82 2.08 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 8.01 3.96 0.00 1.62 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.52 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 12 H 7.92 4.69 0.00 1.99 2.62 0.00 5.61 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 13 M 7.80 4.61 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 14 D 8.99 4.82 0.00 2.72 2.60 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 15 S 8.40 4.49 0.00 3.83 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 0.00 16 S 8.26 3.66 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.65 4.33 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 18 S 8.35 4.41 0.00 3.59 3.69 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 *21 S 8.11 4.30 0.00 3.65 3.74 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 22 S 8.13 4.44 0.00 3.96 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 23 S 8.67 4.19 0.00 3.85 3.92 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 24 N 8.05 4.86 0.00 2.84 2.81 0.00 0.00 6.78 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 25 Y 7.96 4.04 0.00 3.14 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 26 C 8.41 4.17 0.00 3.14 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 27 N 8.24 4.39 0.00 2.92 2.93 0.00 0.00 6.77 7.74 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 28 Q 7.97 3.73 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 29 M 7.67 3.78 0.00 0.90 1.30 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.35 0.00 30 M 8.02 4.06 0.00 1.75 1.85 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.35 0.00 31 K 7.79 4.04 0.00 1.86 1.93 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.30 7.81 32 S 8.11 4.22 0.00 4.03 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 33 R 7.58 4.43 0.00 1.92 2.11 0.00 3.61 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 34 N 7.91 4.25 0.00 2.91 2.93 0.00 0.00 6.82 7.85 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 35 L 8.08 4.60 0.00 1.82 1.64 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.54 4.98 4.40 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 1.47 0.00 0.00 37 K 8.32 3.98 0.00 1.78 1.91 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.52 7.81 38 D 8.20 4.82 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.23 4.06 0.00 1.77 1.72 0.00 2.91 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 40 C 8.57 4.72 0.00 3.07 3.13 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 41 K 8.58 4.20 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 42 P 0.00 4.69 0.00 2.15 2.10 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 43 V 7.64 4.99 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 0.79 0.00 0.00 0.97 0.00 0.00 44 N 9.21 4.85 0.00 2.62 2.24 0.00 0.00 6.63 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 45 T 7.88 4.83 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 0.98 0.00 0.00 46 F 8.99 4.92 0.00 2.98 2.88 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 47 V 9.18 4.57 2.14 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 1.13 0.00 0.00 1.01 0.00 0.00 48 H 8.92 5.57 0.00 3.12 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.17 4.51 0.00 2.01 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 2.36 2.28 0.00 50 S 8.34 4.34 0.00 4.07 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 51 L 8.60 3.97 0.00 1.83 1.75 1.02 1.22 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 52 A 8.05 4.01 1.34 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 0.00 0.00 0.00 53 D 7.88 4.32 0.00 2.85 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 54 V 7.91 3.78 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 1.23 0.00 0.00 1.06 0.00 0.00 55 Q 8.61 3.92 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 56 A 8.03 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.52 3.46 2.10 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 0.98 0.00 0.00 0.96 0.00 0.00 58 C 7.66 3.74 0.00 2.83 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 59 S 7.43 4.68 0.00 3.92 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 60 Q 7.23 4.11 0.00 1.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.07 0.00 0.00 0.00 0.00 0.00 1.77 2.14 0.00 61 K 8.43 4.29 0.00 1.99 1.84 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.52 7.81 62 N 8.74 4.29 0.00 2.71 2.64 0.00 0.00 6.99 7.71 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 63 V 8.51 4.59 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 0.77 0.00 0.00 0.82 0.00 0.00 64 A 8.42 4.32 1.19 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 0.00 0.00 0.00 65 C 8.67 4.76 0.00 3.13 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 66 K 8.98 3.77 0.00 1.89 1.89 0.00 1.57 0.00 0.00 2.11 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 67 N 8.02 4.51 0.00 2.81 2.90 0.00 0.00 6.28 7.00 0.00 0.00 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 G 7.96 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.43 4.16 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 70 T 8.34 4.55 4.20 0.00 0.00 0.00 0.00 0.00 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 71 N 7.82 5.04 0.00 3.07 3.15 0.00 0.00 6.11 7.68 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 72 C 7.54 5.29 0.00 3.01 2.91 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 73 Y 8.93 5.14 0.00 2.77 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 74 Q 9.16 5.03 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 75 S 8.73 4.48 0.00 3.93 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 76 Y 9.31 4.50 0.00 2.98 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 77 S 7.85 4.87 0.00 3.91 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 0.00 78 T 8.13 4.10 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 79 M 8.90 4.91 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 80 S 9.26 4.82 0.00 3.93 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 81 I 8.94 5.19 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 1.27 0.75 1.04 0.00 0.00 82 T 8.87 5.10 4.41 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 1.31 0.00 0.00 83 D 9.14 4.99 0.00 2.62 2.61 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 84 C 9.40 5.57 0.00 2.82 2.85 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 85 R 8.72 5.23 0.00 1.85 1.78 0.00 3.15 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 86 E 9.32 4.21 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 87 T 8.15 4.16 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 1.20 0.00 0.00 88 G 8.47 3.74 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 0.00 0.00 0.00 89 S 7.44 4.64 0.00 3.84 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 90 S 7.77 4.23 0.00 3.79 3.67 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 91 K 8.19 4.42 0.00 1.87 1.58 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.40 7.81 92 Y 8.79 4.40 0.00 3.07 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 93 P 0.00 3.33 0.00 1.75 1.10 0.00 3.63 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 94 N 7.67 4.69 0.00 2.85 2.74 0.00 0.00 7.03 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 95 C 8.22 4.30 0.00 3.12 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 96 A 8.72 5.08 1.12 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 97 Y 9.36 5.15 0.00 2.92 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 98 K 9.09 4.56 0.00 1.73 1.77 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.58 7.81 99 T 8.56 4.90 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 1.29 0.00 0.00 100 T 8.71 4.61 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 1.23 0.00 0.00 101 Q 8.84 4.67 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 102 A 8.71 4.64 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 0.00 103 N 8.66 5.36 0.00 2.56 2.74 0.00 0.00 6.68 7.61 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 0.00 104 K 8.77 4.75 0.00 1.73 1.84 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 8.84 4.81 0.00 3.13 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.58 4.79 1.81 0.00 0.00 1.00 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 0.92 1.12 0.00 0.00 107 I 8.23 4.85 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.85 0.00 0.00 108 V 8.59 4.84 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 0.74 0.00 0.00 0.80 0.00 0.00 109 A 8.68 4.94 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 0.00 110 C 8.70 5.12 0.00 2.10 1.72 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 0.00 111 E 8.68 4.68 0.00 1.98 1.68 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 2.25 2.31 0.00 112 G 9.48 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 0.00 113 N 8.19 5.02 0.00 2.64 2.71 0.00 0.00 6.89 7.69 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 0.00 114 P 0.00 4.34 0.00 2.23 2.05 0.00 3.82 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 1.99 1.96 0.00 115 Y 8.25 4.86 0.00 2.84 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 0.00 116 V 7.91 4.44 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 0.69 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.50 0.00 0.49 1.05 0.00 3.33 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 118 V 8.60 4.47 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 0.66 0.00 0.00 0.93 0.00 0.00 119 H 7.86 4.96 0.00 3.21 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.75 4.67 0.00 2.70 2.61 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 0.00 121 D 8.58 4.59 0.00 2.64 2.58 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 0.00 122 A 6.64 4.57 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 0.00 123 S 8.87 5.18 0.00 4.04 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 0.00 124 V 8.77 4.14 2.10 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 0.83 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.