NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5616 8.3644 120.3152 52.9015 40.1017 175.1507 3 I 3.5803 8.1187 120.0185 59.8428 38.3827 173.8473 4 K 4.6291 9.1698 129.5238 54.4114 35.3747 174.7022 5 E 4.3412 8.4573 124.3941 55.6829 30.4323 176.5868 6 L 4.4877 8.2224 122.2072 54.9305 42.8146 176.6451 7 H 4.4377 9.1795 120.3863 55.9343 30.0363 174.5027 8 V 4.7218 8.4533 122.6635 61.0939 33.2375 174.5097 9 K 4.4594 9.1533 130.3344 54.9817 34.4806 174.7033 10 T 4.7406 8.4349 124.8759 62.5559 69.3750 174.7284 11 V 4.5279 8.1554 119.4555 59.3639 35.6063 175.2085 12 K 4.6096 8.5671 120.8841 54.1157 34.1871 176.3789 13 R 4.4029 8.6994 121.9080 58.5381 30.1585 176.5901 14 G 4.0153 9.1948 114.6903 45.0114 0.0000 173.3879 15 E 4.0683 8.1164 120.9984 56.6167 30.8692 175.2840 16 N 5.1450 8.5282 122.4268 51.9513 40.3039 174.5390 17 V 4.3836 8.5781 123.0885 61.5366 34.9624 174.4384 18 T 5.5842 8.1353 121.4614 60.7054 72.8555 172.4807 *20 E 4.6209 8.5808 118.9645 57.0487 31.0353 176.0652 21 C 4.9349 9.6013 121.0680 55.7067 47.1514 172.8857 22 S 4.3509 8.5711 123.5293 58.0217 64.2481 172.6463 *24 S 4.4497 8.8129 110.2969 58.2819 63.6754 175.6677 25 K 4.4057 7.7550 115.6495 55.8005 32.2491 176.7151 26 V 3.7892 7.4878 119.9815 62.9733 32.0014 175.9428 27 K 4.0016 8.7745 127.0350 58.5069 32.5153 176.8445 28 D 4.5066 8.9491 120.4198 51.9433 42.9768 175.8274 29 K 3.5127 8.3188 127.4600 59.2128 32.1085 179.3170 30 N 4.6198 7.9838 115.2781 55.5419 38.6743 175.6711 31 K 4.4809 8.0436 116.9914 55.9372 33.5542 175.2700 32 L 4.9362 7.6794 123.4561 53.7307 43.7410 175.2507 33 A 5.4399 8.9682 125.9835 50.9262 23.3485 174.8225 34 W 5.4647 9.4967 119.5591 55.7833 31.6556 175.2521 35 Y 5.2040 9.9255 120.8222 56.2658 41.2345 174.4832 36 R 4.1886 8.9834 123.7605 54.2426 33.0584 174.2952 37 Q 4.5793 8.4973 126.9925 53.9899 31.5435 174.6029 38 S 4.4819 8.3561 122.7743 57.8333 64.4538 173.9739 39 F 4.1863 8.7854 124.9052 59.9380 39.4295 175.5474 40 G 3.5999 7.9280 114.8088 45.5046 0.0000 172.7879 41 K 4.5893 7.5035 117.8585 53.7127 34.9943 176.0885 42 V 3.7825 8.0831 120.5154 62.0199 32.0367 174.1758 43 P 4.7273 0.0000 0.0000 63.2352 32.1466 175.3680 44 Q 4.8735 9.0701 123.0221 54.1092 32.8731 173.7301 45 Y 3.9630 9.2148 126.6227 58.5395 39.1014 174.2902 46 F 4.8044 8.9850 127.9747 59.1498 41.8938 175.2890 47 V 4.5110 7.2622 115.8934 60.3602 34.0689 172.1907 48 R 5.4644 8.9636 119.8509 54.1666 32.9327 174.2937 49 Y 4.9902 8.8828 121.8757 58.7087 39.6961 174.9251 50 Y 4.6861 7.8363 125.3912 55.9421 42.7451 175.1965 51 S 4.6231 7.7572 123.1953 57.3967 61.1396 172.6867 52 S 4.6915 7.1577 116.4859 56.0407 66.7051 174.9073 53 N 4.4971 8.8046 117.9200 56.4445 38.4252 177.1512 54 S 4.1850 7.9950 111.8001 59.8074 63.4891 175.2617 55 G 4.3875 10.1242 108.5270 44.4766 0.0000 171.5540 56 Y 5.4955 6.8562 115.3013 55.9742 41.1738 174.0458 57 K 4.4356 9.0675 121.1413 54.8704 35.3514 175.6802 58 F 4.3937 9.1175 125.9496 57.0222 40.0071 175.2346 59 A 4.1296 9.0692 124.7456 51.2292 18.5988 177.7126 60 E 3.7055 8.4986 118.5433 60.4632 29.7324 178.4459 61 G 3.3474 7.6147 106.9627 46.6621 0.0000 173.2073 62 F 4.8551 7.8698 117.6174 56.0868 38.9457 175.0879 63 K 4.2832 7.6285 115.8629 55.6183 33.1273 176.3833 64 D 4.3011 7.9865 119.1392 54.6959 41.1201 177.7914 65 S 4.2942 8.6501 120.7555 60.4868 63.4193 175.3833 66 R 4.0314 8.6289 120.8285 58.4065 30.7982 176.3331 67 F 4.7417 7.9302 118.1844 56.0666 40.0473 175.8932 68 S 4.1049 8.4371 119.3106 58.0271 68.6873 175.1257 *70 T 4.4399 8.6065 116.3545 63.5352 69.7492 172.9845 71 V 5.0358 8.3432 126.1903 60.9495 33.8447 174.4807 72 N 4.9595 8.7637 123.3709 52.5699 39.6532 174.3902 73 D 4.3753 8.8537 116.8517 56.8731 41.1195 177.1082 74 Q 4.5272 7.9401 116.7717 56.1047 30.6439 176.0244 75 K 4.9644 8.7485 116.1151 54.6750 35.8662 174.9844 76 F 5.6504 9.3367 122.4861 56.7964 38.0923 173.4697 77 D 5.0383 8.7696 120.0794 52.6790 43.2235 176.8573 78 L 4.1410 7.8927 124.4715 53.4972 43.8937 174.6403 79 N 5.2741 8.9808 123.5884 51.4295 42.1355 173.6389 80 I 4.3499 8.1381 122.0978 59.4466 40.6988 174.3821 81 I 4.2247 8.4267 129.0990 60.1553 37.9106 175.8609 82 G 3.5547 8.8725 117.0300 46.1439 0.0000 173.2587 83 T 4.2232 8.1950 115.1127 62.4321 68.7588 173.1599 84 R 4.9098 9.1990 124.6020 54.0526 34.4743 176.1145 85 E 2.5400 8.2855 119.3488 59.2640 29.4058 179.3775 86 D 4.4122 7.7508 116.0038 55.4525 39.6232 176.8664 87 D 4.7316 8.3067 119.8201 55.9402 41.1482 177.0664 88 G 3.9742 8.2398 109.4221 45.1235 0.0000 174.6141 89 G 3.7784 7.4310 109.0479 44.9195 0.0000 170.8051 90 E 5.1337 7.9120 119.2048 54.6606 32.8547 175.0975 91 Y 4.8774 8.8534 120.2550 56.1858 42.0327 174.5348 92 F 5.6014 9.5937 122.0606 55.9456 43.3687 172.9947 93 C 4.7947 9.3519 123.9806 54.7990 46.1758 172.6652 94 G 4.3526 9.4182 113.2407 44.2622 0.0000 170.4345 95 E 5.1441 8.6316 124.1734 53.6607 32.0662 175.3249 96 V 3.9946 8.4538 128.3924 62.9620 32.3996 175.6250 97 E 4.4163 9.1002 125.7688 54.9709 31.7518 177.5533 98 G 3.8828 8.4324 118.9264 47.2806 0.0000 173.6137 99 N 4.6130 9.1407 122.4366 53.6197 39.2388 173.9710 100 T 4.6551 7.5477 108.2002 59.8019 72.2367 171.9751 101 I 4.6148 7.8869 121.1799 58.9066 40.4936 174.1612 102 K 4.3287 8.3865 129.5933 54.6096 34.2882 174.6055 103 F 5.1074 8.6213 126.8388 56.7211 39.3589 175.9314 104 T 4.3429 8.6924 114.4171 62.5131 69.8830 174.2857 105 S 4.7086 7.5002 115.5403 57.8866 66.5127 173.1224 106 G 4.7745 8.3352 105.2231 46.4359 0.0000 172.3624 107 T 5.3383 9.1013 116.7315 61.6517 73.0654 173.2454 108 R 4.7895 9.2472 127.0999 55.3079 31.6574 174.5758 109 L 5.0794 9.2060 130.2934 53.7924 43.6371 175.2014 110 Q 4.9948 9.0647 123.7553 54.5376 32.8075 175.4240 111 F 4.4102 8.8315 117.5304 57.7657 39.5325 175.5352 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 8.36 4.56 0.00 2.80 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 3 I 8.12 3.58 1.86 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 1.18 0.92 0.91 0.00 0.00 4 K 9.17 4.63 0.00 1.73 1.65 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.32 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.42 7.81 5 E 8.46 4.34 0.00 1.99 1.86 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 2.31 2.33 0.00 6 L 8.22 4.49 0.00 1.61 1.71 1.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 H 9.18 4.44 0.00 3.22 3.27 0.00 5.77 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 8 V 8.45 4.72 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 0.78 0.00 0.00 0.97 0.00 0.00 9 K 9.15 4.46 0.00 1.77 1.56 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.28 7.81 10 T 8.43 4.74 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 1.14 0.00 0.00 11 V 8.16 4.53 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 0.50 0.00 0.00 -0.01 0.00 0.00 12 K 8.57 4.61 0.00 1.80 1.71 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.30 7.81 13 R 8.70 4.40 0.00 1.85 1.92 0.00 3.20 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 14 G 9.19 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 0.00 0.00 0.00 15 E 8.12 4.07 0.00 2.11 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 2.24 0.00 16 N 8.53 5.14 0.00 2.57 2.63 0.00 0.00 6.68 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 17 V 8.58 4.38 1.85 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 0.75 0.00 0.00 0.78 0.00 0.00 18 T 8.14 5.58 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 1.13 0.00 0.00 *20 E 8.58 4.62 0.00 2.19 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 2.17 2.37 0.00 21 C 9.60 4.93 0.00 3.11 3.53 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 0.00 22 S 8.57 4.35 0.00 3.99 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 *24 S 8.81 4.45 0.00 3.92 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 25 K 7.75 4.41 0.00 1.75 1.78 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.34 7.81 26 V 7.49 3.79 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 0.65 0.00 0.00 0.84 0.00 0.00 27 K 8.77 4.00 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 28 D 8.95 4.51 0.00 2.48 2.39 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 29 K 8.32 3.51 0.00 0.91 0.74 0.00 1.41 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.13 1.14 7.81 30 N 7.98 4.62 0.00 2.86 2.93 0.00 0.00 6.95 7.63 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 31 K 8.04 4.48 0.00 1.73 1.79 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.46 7.81 32 L 7.68 4.94 0.00 1.48 1.08 0.78 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.97 5.44 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 34 W 9.50 5.46 0.00 3.43 3.43 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 35 Y 9.93 5.20 0.00 3.25 3.16 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 0.00 0.00 0.00 0.00 36 R 8.98 4.19 0.00 0.67 0.83 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 37 Q 8.50 4.58 0.00 2.03 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 38 S 8.36 4.48 0.00 3.81 3.78 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 39 F 8.79 4.19 0.00 2.97 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 40 G 7.93 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 41 K 7.50 4.59 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.48 7.81 42 V 8.08 3.78 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 0.85 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.73 0.00 2.14 2.22 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 44 Q 9.07 4.87 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 45 Y 9.21 3.96 0.00 2.93 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 46 F 8.99 4.80 0.00 2.79 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 47 V 7.26 4.51 0.67 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 0.19 0.00 0.00 0.19 0.00 0.00 48 R 8.96 5.46 0.00 2.16 2.33 0.00 2.87 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 49 Y 8.88 4.99 0.00 2.67 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 50 Y 7.84 4.69 0.00 2.95 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 51 S 7.76 4.62 0.00 3.63 3.71 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 52 S 7.16 4.69 0.00 3.92 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 53 N 8.80 4.50 0.00 2.72 2.94 0.00 0.00 6.92 7.57 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 54 S 7.99 4.19 0.00 3.84 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 55 G 10.12 4.39 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 0.00 56 Y 6.86 5.50 0.00 3.00 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 57 K 9.07 4.44 0.00 1.21 1.44 0.00 1.40 0.00 0.00 0.94 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.21 7.81 58 F 9.12 4.39 0.00 2.94 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 59 A 9.07 4.13 0.84 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 0.00 0.00 60 E 8.50 3.71 0.00 1.94 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 2.25 2.32 0.00 61 G 7.61 3.35 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 0.00 62 F 7.87 4.86 0.00 2.97 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 63 K 7.63 4.28 0.00 1.68 1.76 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.31 7.81 64 D 7.99 4.30 0.00 2.70 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 65 S 8.65 4.29 0.00 3.99 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 66 R 8.63 4.03 0.00 1.82 1.96 0.00 3.28 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 67 F 7.93 4.74 0.00 2.33 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 0.00 0.00 0.00 68 S 8.44 4.10 0.00 3.91 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 *70 T 8.61 4.44 4.23 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 1.25 0.00 0.00 71 V 8.34 5.04 2.52 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 1.36 0.00 0.00 1.25 0.00 0.00 72 N 8.76 4.96 0.00 3.04 2.99 0.00 0.00 6.59 7.59 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 73 D 8.85 4.38 0.00 2.73 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 74 Q 7.94 4.53 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 75 K 8.75 4.96 0.00 1.82 2.03 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.53 7.81 76 F 9.34 5.65 0.00 3.00 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 77 D 8.77 5.04 0.00 2.59 2.53 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 0.00 78 L 7.89 4.14 0.00 0.27 0.23 0.90 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.98 5.27 0.00 2.45 2.49 0.00 0.00 6.38 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 80 I 8.14 4.35 1.49 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 -0.30 0.25 0.42 0.00 0.00 81 I 8.43 4.22 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.72 0.92 0.00 0.00 82 G 8.87 3.55 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 0.00 0.00 0.00 83 T 8.19 4.22 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 1.35 0.00 0.00 84 R 9.20 4.91 0.00 1.83 1.81 0.00 3.16 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 1.50 1.57 0.00 85 E 8.29 2.54 0.00 1.73 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 2.12 1.49 0.00 86 D 7.75 4.41 0.00 2.80 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 87 D 8.31 4.73 0.00 3.05 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 88 G 8.24 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 0.00 0.00 0.00 89 G 7.43 3.78 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 0.00 0.00 0.00 90 E 7.91 5.13 0.00 1.60 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 2.26 2.27 0.00 91 Y 8.85 4.88 0.00 2.83 2.96 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 92 F 9.59 5.60 0.00 2.89 2.48 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 0.00 0.00 0.00 0.00 93 C 9.35 4.79 0.00 1.23 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 94 G 9.42 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 0.00 0.00 0.00 95 E 8.63 5.14 0.00 1.87 1.65 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 2.07 2.08 0.00 96 V 8.45 3.99 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 0.75 0.00 0.00 0.88 0.00 0.00 97 E 9.10 4.42 0.00 2.02 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 2.21 2.13 0.00 98 G 8.43 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 0.00 0.00 0.00 0.00 99 N 9.14 4.61 0.00 2.69 2.84 0.00 0.00 6.53 7.54 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 0.00 100 T 7.55 4.66 4.16 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 0.00 0.00 0.00 1.17 0.00 0.00 101 I 7.89 4.61 1.58 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.67 0.40 0.00 0.00 102 K 8.39 4.33 0.00 1.88 1.48 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.31 7.81 103 F 8.62 5.11 0.00 2.89 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 0.00 104 T 8.69 4.34 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 1.18 0.00 0.00 105 S 7.50 4.71 0.00 4.07 4.07 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 0.00 0.00 0.00 106 G 8.34 4.77 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 0.00 0.00 0.00 107 T 9.10 5.34 4.36 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 1.30 0.00 0.00 108 R 9.25 4.79 0.00 1.93 1.86 0.00 3.15 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 109 L 9.21 5.08 0.00 1.85 1.74 0.75 0.56 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 0.00 110 Q 9.06 4.99 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 111 F 8.83 4.41 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.