NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4408 8.3044 118.2217 55.6594 32.3830 174.6349 2 T 3.8238 8.5215 115.5001 60.7111 70.6080 172.4078 3 H 3.9827 8.4492 128.6603 55.7977 26.8157 172.7688 4 D 3.9956 7.8444 120.0535 54.9519 41.8866 177.2706 5 N 4.7176 8.2345 116.5181 52.7526 38.2150 175.3472 6 K 4.4427 8.3699 116.3087 57.0330 33.3202 177.1686 7 L 4.1479 7.9656 121.5356 56.8140 41.9170 177.5882 *8 Q 4.5787 7.2751 110.3370 54.1059 29.8472 179.1748 9 V 4.7076 8.1412 123.4629 61.8762 32.4096 174.7857 10 E 4.4487 7.4278 122.5157 54.7678 32.6790 177.3729 11 A 3.7088 7.5781 119.4050 52.4073 16.1152 176.4638 12 I 4.4428 8.1801 118.2260 59.5234 39.5983 175.1532 13 K 3.8623 8.2751 121.4237 55.7054 33.9662 171.7973 14 R 4.7478 7.9596 131.5027 55.0122 31.3334 176.0245 15 G 3.1998 7.3999 111.2383 43.9230 0.0000 171.1017 16 T 4.9200 8.0694 116.5903 61.5951 71.8888 173.9630 17 V 4.6927 8.5169 124.2313 61.2827 34.8164 174.2077 18 I 4.6892 8.6068 129.5706 60.1039 38.5592 174.4563 19 D 5.0421 8.7675 126.6875 52.3726 44.6884 174.8302 20 H 4.1543 8.3003 114.4704 56.8392 26.1194 175.0838 21 I 4.2724 7.2461 118.7682 59.8759 38.2603 174.7820 22 P 4.5696 0.0000 0.0000 62.2062 31.9014 175.6465 23 A 4.1658 8.3745 123.2060 53.9618 18.6541 178.1564 24 Q 3.7114 8.8292 118.3681 56.9023 26.9006 175.1324 25 I 4.2573 7.6880 119.6704 63.0579 37.3801 178.0225 26 G 3.7851 8.0941 106.6506 47.9645 0.0000 175.3725 27 F 4.0847 8.2761 123.1024 60.5500 39.4935 176.4632 28 K 3.7251 8.3376 118.8820 59.9026 31.8121 178.3334 29 L 4.1273 8.1368 118.9978 57.6461 41.3874 179.4653 30 L 3.9140 7.8357 119.2238 57.7699 41.3426 179.8447 31 S 3.8771 7.7938 114.3435 61.3695 62.8715 176.4750 32 L 3.6417 7.9139 121.9939 56.7114 41.3320 178.0694 33 F 4.6092 7.7311 115.2157 57.5540 39.2927 176.0301 34 K 3.9350 7.5526 118.1410 57.3024 29.9122 176.9822 35 L 4.0607 7.5644 121.3025 57.5640 41.8224 179.0885 36 T 4.1124 7.7168 107.1555 63.2283 69.6299 175.2790 37 E 4.3424 7.5179 124.4776 54.4974 27.8878 174.9105 38 T 4.5897 7.2047 113.3743 61.2116 70.7752 172.8019 39 D 4.7144 8.4107 123.3658 54.2954 41.5016 177.1520 40 Q 4.1988 7.5908 118.4796 55.5053 29.5863 175.6981 41 R 4.2953 8.3536 118.9119 55.9844 31.1795 175.6131 42 I 4.9140 8.3491 124.8912 60.0403 39.5048 175.2619 43 T 4.7741 8.8846 122.2169 61.8765 71.9939 173.1565 44 I 5.0010 8.4140 124.7862 59.5059 41.4751 174.7225 45 G 4.1796 9.0995 113.1886 44.3951 0.0000 171.6676 46 L 5.1038 8.5241 124.8930 53.7307 44.3199 176.2462 47 N 4.1502 9.2466 119.9469 54.1745 35.9983 173.2154 48 L 4.8449 8.5614 121.0744 52.2177 45.5385 174.2270 49 P 5.0485 0.0000 0.0000 62.6273 32.7865 175.2696 50 S 4.4980 9.5274 118.1880 58.6354 67.2976 173.7115 51 G 3.8811 8.0315 106.5295 44.2590 0.0000 173.5649 52 E 4.7515 8.6897 124.9741 57.0524 27.2897 175.9901 53 M 4.5921 8.9178 121.0052 53.9353 34.4121 176.6083 54 G 4.2679 8.0860 114.0780 44.3379 0.0000 172.4429 55 R 5.8025 7.6619 119.1645 52.7153 33.2749 173.9530 56 K 4.8672 8.4182 123.4285 55.8272 36.7203 173.9809 57 D 5.4294 8.8326 118.1674 53.0378 45.3817 174.8603 58 L 4.8617 8.5114 120.3052 54.1616 46.2563 174.1162 59 I 4.8906 8.5970 125.0128 59.4173 41.2672 174.4619 60 K 4.9469 9.5724 125.7018 54.6953 35.5505 175.2610 61 I 4.6071 8.6947 126.8082 59.2647 39.7089 175.2972 62 E 4.3376 8.7696 127.3315 56.9697 30.4254 178.4472 63 N 4.2080 8.7238 117.3425 54.2696 37.7879 174.5987 64 T 4.5211 7.4082 115.4377 61.7251 70.1926 173.7295 65 F 4.8770 8.9172 122.8949 54.3531 41.6189 174.2064 66 L 4.7866 8.4725 126.0709 54.0401 42.2273 175.7942 67 S 4.4533 8.8141 117.1984 57.4907 66.4720 173.4404 68 E 3.7820 8.2175 119.3370 57.7843 30.1796 175.8541 69 D 4.4822 7.6347 116.7918 56.8311 41.3007 178.8722 70 Q 3.9413 7.9971 118.2014 59.0088 28.9928 178.6663 71 V 3.6493 7.7190 118.6580 66.0634 31.5763 177.5446 72 D 4.4437 7.7670 117.8238 56.8050 40.4734 178.3332 73 Q 4.1395 7.8261 119.4106 58.6419 29.2270 177.5866 74 L 4.0928 7.5596 118.7769 56.3773 41.5958 178.7932 75 A 3.9726 7.9004 123.1909 55.1169 18.3916 178.9248 76 L 4.2154 7.8006 112.1481 56.4508 40.8769 176.5929 77 Y 4.5666 7.5889 116.6323 59.3997 40.4188 176.3967 78 A 4.8065 8.3775 121.6865 50.2892 19.1510 175.0776 79 P 4.3833 0.0000 0.0000 64.3941 32.2421 178.1824 80 Q 4.4906 7.9377 116.3274 55.5188 29.0206 175.1203 81 A 4.8427 7.4795 120.0349 51.2457 20.0358 177.7578 82 T 4.7283 8.8961 114.8218 61.9298 72.9110 174.0069 83 V 4.6583 8.9355 126.1070 61.3397 33.4058 173.6579 84 N 5.3684 9.0801 126.4560 52.1070 40.5270 174.4743 85 R 5.1871 9.1981 119.9410 54.4824 32.4418 174.5636 86 I 5.0766 8.8260 123.5685 59.6606 40.5877 174.2713 87 D 4.6917 9.2701 125.7327 53.2802 44.6615 174.6429 88 N 3.8647 9.2788 125.1674 55.6115 37.1029 173.0270 89 Y 3.7732 7.3081 109.6313 58.6073 36.6874 170.0887 90 E 4.6897 8.0337 120.9730 54.1377 31.6418 176.0633 91 V 4.1250 8.2150 126.1746 63.1396 29.4446 175.1711 92 V 4.0928 8.3460 121.0838 60.9563 32.4253 176.5195 93 G 3.9847 7.3955 104.6666 45.8267 0.0000 172.8771 94 K 5.0673 9.0040 124.3417 54.9743 34.4907 175.6597 95 S 4.9251 8.9993 121.4716 56.8348 66.0746 173.6690 96 R 4.9671 8.1844 118.8732 53.8557 33.7403 173.8809 97 P 4.6089 0.0000 0.0000 62.3580 32.1814 175.9713 98 S 4.8165 8.5993 115.4175 55.7424 65.8464 174.0046 99 L 3.9618 8.4068 121.7387 54.4521 41.6072 175.9151 100 P 4.6169 0.0000 0.0000 62.4820 32.6032 175.4133 101 E 4.5355 8.5582 114.5786 57.1612 31.2861 176.0018 102 R 5.1925 7.7699 117.6380 53.8627 34.6088 174.9131 103 I 4.5764 8.4788 122.5103 59.8348 40.3037 174.5213 104 D 4.9972 8.7761 127.0056 54.3736 42.3722 178.1098 105 N 4.4686 9.1513 122.5371 54.8160 38.2977 176.4079 106 V 3.6722 8.0897 116.2714 64.2329 31.8461 175.7151 107 L 4.5666 7.7291 118.5928 53.0812 43.4865 175.4706 108 V 4.4465 7.7031 118.2432 60.9680 33.7642 174.3464 109 C 4.5782 8.9115 127.5152 59.0461 31.7342 172.3316 110 P 3.7801 0.0000 0.0000 64.2127 31.3158 175.9213 111 N 4.6319 7.5639 118.2865 52.4868 38.1716 175.5820 112 S 4.1776 8.6866 121.2545 60.1712 63.1762 174.3190 113 N 4.7809 8.3615 118.8979 53.3320 38.7561 174.2001 114 C 4.5255 8.0670 112.7256 57.7686 30.9138 174.6528 115 I 3.7704 8.1830 121.0169 63.5542 37.7994 178.0799 116 S 3.8366 7.6770 113.6799 61.0013 62.9058 175.4145 117 H 4.1474 7.8645 117.8398 59.0284 28.4040 176.9382 118 A 4.3932 7.5441 118.4156 52.7874 18.4227 176.5909 119 E 4.7830 7.7461 114.7205 53.7019 33.7567 175.1254 120 P 4.6732 0.0000 0.0000 62.7805 30.4890 176.5448 121 V 4.5340 8.2147 111.2957 60.6449 34.8384 175.5866 122 S 4.9982 8.3226 116.9121 56.5221 65.3324 174.0154 123 S 4.5404 8.5267 115.6257 59.1012 64.6529 172.8697 124 S 5.1164 8.1220 114.2894 57.4180 65.6730 172.7615 125 F 5.2495 8.9601 124.7849 55.4976 42.6164 174.0556 126 A 4.5416 9.0530 125.8208 51.6422 19.7089 176.6217 127 V 4.5237 8.2511 122.5010 62.2342 32.9731 175.5875 128 R 4.5514 8.5853 124.8758 55.1745 34.7368 172.9369 129 K 3.6128 9.0482 125.3950 55.9808 30.1103 174.6928 130 R 3.7879 8.5214 124.4980 57.6161 30.5809 175.3492 131 A 3.6508 8.6575 121.3652 54.5835 17.9817 177.7152 132 N 4.4189 7.7647 111.9832 53.7015 37.6868 174.3782 133 D 4.6273 9.0771 119.0648 54.8627 38.7682 174.1456 134 I 3.5002 6.5811 120.5273 56.8017 36.8349 173.1634 135 A 5.3077 8.6591 127.7086 50.0196 22.0936 174.8572 136 L 5.2058 8.8065 121.3373 52.8059 45.1693 175.3541 137 K 5.0525 9.0830 125.8745 54.4069 34.3885 174.8693 138 C 3.5983 8.9058 128.8094 59.1897 32.0705 173.8750 139 K 3.4872 8.1720 128.1636 60.1214 31.6619 177.4925 140 Y 4.1734 7.9267 116.0286 60.4840 38.3041 176.2285 141 C 4.3727 8.0929 112.2192 57.9946 30.6281 172.9112 142 E 4.0443 7.8534 118.2167 56.4445 26.9956 174.0024 143 K 4.4176 7.8279 118.0562 54.5124 35.0560 174.0679 144 E 4.9506 8.2723 127.8794 54.6078 31.2119 174.6501 145 F 5.0796 8.9552 124.5297 55.4168 43.7957 174.2593 146 S 4.7661 8.6784 114.7732 57.6851 63.3160 174.5085 147 H 4.1293 9.0306 123.1637 58.9902 28.3690 177.2117 148 N 4.1082 8.0677 116.3337 56.1534 38.4443 177.0203 149 V 3.6898 7.8087 119.4407 65.9753 31.4982 178.3665 150 V 3.5923 7.5593 116.0363 65.0295 31.4171 175.4766 151 L 4.5014 7.5943 117.7164 54.9252 42.0263 177.4018 152 A 4.4638 7.4565 119.0482 53.0758 22.3407 176.7085 153 N 4.0129 7.8788 116.9905 54.5089 39.0894 173.8623 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 M 8.30 4.44 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 T 8.52 3.82 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 1.28 0.00 0.00 3 H 8.45 3.98 0.00 3.28 3.24 0.00 5.82 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 4 D 7.84 4.00 0.00 2.84 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 5 N 8.23 4.72 0.00 3.13 3.08 0.00 0.00 5.64 7.55 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 6 K 8.37 4.44 0.00 1.88 1.95 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.44 7.81 7 L 7.97 4.15 0.00 1.62 1.76 1.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 7.28 4.58 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.05 1.77 0.00 9 V 8.14 4.71 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 1.17 0.00 0.00 0.95 0.00 0.00 10 E 7.43 4.45 0.00 2.32 1.83 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 2.23 2.44 0.00 11 A 7.58 3.71 1.50 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 0.00 0.00 12 I 8.18 4.44 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.96 0.00 0.00 13 K 8.28 3.86 0.00 1.24 0.74 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.47 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.25 7.81 14 R 7.96 4.75 0.00 1.96 1.95 0.00 3.71 0.00 0.00 3.68 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 15 G 7.40 3.20 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 0.00 0.00 0.00 0.00 16 T 8.07 4.92 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 1.19 0.00 0.00 17 V 8.52 4.69 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 1.04 0.00 0.00 0.91 0.00 0.00 18 I 8.61 4.69 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 0.89 0.00 0.00 19 D 8.77 5.04 0.00 2.74 2.47 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 20 H 8.30 4.15 0.00 3.47 3.51 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.25 4.27 1.95 0.00 0.00 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 1.31 0.61 0.98 0.00 0.00 22 P 0.00 4.57 0.00 2.22 2.02 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 23 A 8.37 4.17 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 24 Q 8.83 3.71 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 25 I 7.69 4.26 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.28 1.08 0.00 0.00 26 G 8.09 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 0.00 0.00 0.00 27 F 8.28 4.08 0.00 3.13 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 28 K 8.34 3.73 0.00 1.89 1.93 0.00 1.87 0.00 0.00 1.92 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.56 7.81 29 L 8.14 4.13 0.00 1.88 1.75 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.84 3.91 0.00 1.53 1.47 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.79 3.88 0.00 3.78 3.61 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 32 L 7.91 3.64 0.00 1.40 0.70 0.72 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.73 4.61 0.00 3.15 2.97 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 34 K 7.55 3.93 0.00 1.84 2.04 0.00 1.79 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.52 7.81 35 L 7.56 4.06 0.00 1.57 1.72 0.91 1.18 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 36 T 7.72 4.11 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 1.17 0.00 0.00 37 E 7.52 4.34 0.00 1.92 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 2.30 2.22 0.00 38 T 7.20 4.59 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 1.20 0.00 0.00 39 D 8.41 4.71 0.00 2.70 2.68 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 40 Q 7.59 4.20 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 41 R 8.35 4.30 0.00 1.75 1.85 0.00 3.10 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 42 I 8.35 4.91 1.86 0.00 0.00 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 1.32 0.69 0.92 0.00 0.00 43 T 8.88 4.77 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 1.22 0.00 0.00 44 I 8.41 5.00 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.98 0.00 0.00 45 G 9.10 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 0.00 0.00 0.00 0.00 46 L 8.52 5.10 0.00 1.50 1.57 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.25 4.15 0.00 2.80 2.84 0.00 0.00 6.90 7.86 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 48 L 8.56 4.84 0.00 1.54 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 5.05 0.00 2.07 2.06 0.00 3.94 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 50 S 9.53 4.50 0.00 3.83 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 51 G 8.03 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 52 E 8.69 4.75 0.00 1.97 1.96 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 2.32 2.28 0.00 53 M 8.92 4.59 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 54 G 8.09 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 0.00 0.00 0.00 0.00 55 R 7.66 5.80 0.00 1.79 1.78 0.00 3.01 0.00 0.00 3.94 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 56 K 8.42 4.87 0.00 1.96 1.90 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.44 7.81 57 D 8.83 5.43 0.00 2.60 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 58 L 8.51 4.86 0.00 1.68 1.43 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.60 4.89 1.85 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 1.23 0.70 0.89 0.00 0.00 60 K 9.57 4.95 0.00 1.72 1.65 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.36 7.81 61 I 8.69 4.61 1.76 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 1.18 0.64 0.85 0.00 0.00 62 E 8.77 4.34 0.00 1.90 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 2.24 0.00 63 N 8.72 4.21 0.00 2.81 2.93 0.00 0.00 6.88 7.26 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 64 T 7.41 4.52 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 1.18 0.00 0.00 65 F 8.92 4.88 0.00 2.95 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 66 L 8.47 4.79 0.00 1.90 1.64 0.87 0.56 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 67 S 8.81 4.45 0.00 3.95 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 68 E 8.22 3.78 0.00 2.16 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 0.00 2.29 2.37 0.00 69 D 7.63 4.48 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.94 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 71 V 7.72 3.65 2.22 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 1.05 0.00 0.00 0.92 0.00 0.00 72 D 7.77 4.44 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.83 4.14 0.00 2.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.66 2.74 0.00 74 L 7.56 4.09 0.00 1.73 1.64 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.90 3.97 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 76 L 7.80 4.22 0.00 1.50 1.65 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.59 4.57 0.00 3.33 3.07 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 78 A 8.38 4.81 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 79 P 0.00 4.38 0.00 2.19 2.38 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 80 Q 7.94 4.49 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 81 A 7.48 4.84 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 82 T 8.90 4.73 4.28 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 1.35 0.00 0.00 83 V 8.94 4.66 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 1.05 0.00 0.00 0.91 0.00 0.00 84 N 9.08 5.37 0.00 2.69 2.73 0.00 0.00 6.31 7.89 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 85 R 9.20 5.19 0.00 2.08 2.13 0.00 2.78 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 86 I 8.83 5.08 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.95 0.00 0.00 87 D 9.27 4.69 0.00 2.79 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 88 N 9.28 3.86 0.00 2.81 2.79 0.00 0.00 7.27 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 89 Y 7.31 3.77 0.00 3.20 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 90 E 8.03 4.69 0.00 2.06 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 2.23 2.28 0.00 91 V 8.22 4.13 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 0.90 0.00 0.00 0.97 0.00 0.00 92 V 8.35 4.09 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 0.76 0.00 0.00 0.93 0.00 0.00 93 G 7.40 3.98 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 0.00 0.00 0.00 94 K 9.00 5.07 0.00 1.62 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.44 7.81 95 S 9.00 4.93 0.00 3.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.97 0.00 1.63 1.78 0.00 3.21 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 97 P 0.00 4.61 0.00 2.04 2.15 0.00 3.77 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 2.01 2.07 0.00 98 S 8.60 4.82 0.00 3.93 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 99 L 8.41 3.96 0.00 1.65 1.67 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.62 0.00 2.41 2.11 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 101 E 8.56 4.54 0.00 2.07 2.24 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 2.30 2.34 0.00 102 R 7.77 5.19 0.00 1.68 1.96 0.00 3.19 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 103 I 8.48 4.58 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 1.09 0.00 0.00 104 D 8.78 5.00 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 9.15 4.47 0.00 2.87 2.97 0.00 0.00 6.90 7.28 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 0.00 106 V 8.09 3.67 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 0.70 0.00 0.00 0.44 0.00 0.00 107 L 7.73 4.57 0.00 1.65 1.25 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.70 4.45 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 0.87 0.00 0.00 0.95 0.00 0.00 109 C 8.91 4.58 0.00 3.24 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 0.00 110 P 0.00 3.78 0.00 1.25 1.77 0.00 2.62 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 111 N 7.56 4.63 0.00 3.13 2.96 0.00 0.00 6.79 7.51 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 0.00 112 S 8.69 4.18 0.00 3.98 3.93 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 0.00 113 N 8.36 4.78 0.00 2.72 3.00 0.00 0.00 7.16 7.17 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 0.00 114 C 8.07 4.53 0.00 3.24 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 0.00 115 I 8.18 3.77 1.84 0.00 0.00 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 1.41 1.09 0.75 0.00 0.00 116 S 7.68 3.84 0.00 3.81 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.86 4.15 0.00 3.31 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.54 4.39 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 0.00 119 E 7.75 4.78 0.00 1.86 1.71 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 2.20 2.34 0.00 120 P 0.00 4.67 0.00 2.17 2.15 0.00 3.67 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 1.97 1.99 0.00 121 V 8.21 4.53 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 0.74 0.00 0.00 0.61 0.00 0.00 122 S 8.32 5.00 0.00 3.98 3.87 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 0.00 0.00 0.00 123 S 8.53 4.54 0.00 4.23 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 0.00 124 S 8.12 5.12 0.00 3.87 3.54 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 0.00 125 F 8.96 5.25 0.00 3.09 2.97 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 0.00 126 A 9.05 4.54 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 0.00 127 V 8.25 4.52 2.25 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 0.78 0.00 0.00 0.98 0.00 0.00 128 R 8.59 4.55 0.00 1.74 1.74 0.00 3.33 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 129 K 9.05 3.61 0.00 1.85 1.81 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.40 7.81 130 R 8.52 3.79 0.00 1.80 1.82 0.00 3.55 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 131 A 8.66 3.65 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 0.00 132 N 7.76 4.42 0.00 2.82 2.96 0.00 0.00 6.25 8.06 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 0.00 133 D 9.08 4.63 0.00 2.78 3.07 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 0.00 134 I 6.58 3.50 1.46 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 1.05 0.94 0.85 0.00 0.00 135 A 8.66 5.31 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 0.00 136 L 8.81 5.21 0.00 1.68 1.69 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.08 5.05 0.00 1.83 1.69 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.32 7.81 138 C 8.91 3.60 0.00 3.20 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 0.00 139 K 8.17 3.49 0.00 1.62 1.32 0.00 1.59 0.00 0.00 1.08 0.00 0.00 2.49 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.73 1.12 7.81 140 Y 7.93 4.17 0.00 2.96 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 0.00 141 C 8.09 4.37 0.00 3.15 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 0.00 142 E 7.85 4.04 0.00 2.07 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 2.18 2.36 0.00 143 K 7.83 4.42 0.00 1.88 1.40 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.18 7.81 144 E 8.27 4.95 0.00 1.91 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 2.17 2.43 0.00 145 F 8.96 5.08 0.00 3.01 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 0.00 146 S 8.68 4.77 0.00 3.91 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 0.00 147 H 9.03 4.13 0.00 3.28 3.58 0.00 5.33 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 0.00 148 N 8.07 4.11 0.00 2.65 2.84 0.00 0.00 6.85 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 0.00 149 V 7.81 3.69 2.29 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 0.93 0.00 0.00 0.95 0.00 0.00 150 V 7.56 3.59 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 0.55 0.00 0.00 0.70 0.00 0.00 151 L 7.59 4.50 0.00 1.77 1.61 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.46 4.46 1.20 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 0.00 0.00 0.00 153 N 7.88 4.01 0.00 2.58 2.58 0.00 0.00 6.80 7.56 0.00 0.00 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.