NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1191 8.3149 121.7940 56.6189 33.3788 170.8391 7 L 3.4580 8.5239 129.8194 52.7311 41.8230 172.6973 8 P 4.4627 0.0000 0.0000 61.5550 32.8898 173.3963 9 P 4.4195 0.0000 0.0000 64.8576 31.4797 177.2435 10 G 3.8825 9.2340 111.8831 44.6389 0.0000 172.5564 11 W 5.2203 7.6342 119.0706 56.1123 30.6848 175.7476 12 E 4.8442 9.1673 122.9141 54.7823 33.1119 174.1974 13 K 3.8995 8.7798 128.5903 56.7381 33.2647 175.7447 14 R 4.5870 8.5809 124.8687 55.1550 34.9225 173.2043 15 M 5.3041 8.0128 117.3076 54.5556 35.2905 174.8042 16 S 4.5899 8.6949 120.8589 58.2527 63.8663 174.7588 17 R 3.9670 8.6412 122.4552 57.3490 30.5348 176.7794 18 S 3.7815 8.8500 113.4591 58.9350 61.0782 170.8692 19 S 4.6780 7.8389 111.7118 57.1730 65.4183 173.3996 20 G 4.0779 8.3932 107.7865 44.6751 0.0000 173.3571 21 R 3.9923 7.7073 119.4156 56.7842 31.1019 175.7441 22 V 4.6531 8.4979 124.7211 61.8501 32.6136 174.3721 23 Y 5.1095 8.4597 125.1322 55.7775 42.3211 173.2467 24 Y 5.0670 9.4301 117.9129 56.5085 40.2928 174.7603 25 F 5.2596 9.3713 126.2342 56.3891 43.0105 173.1375 26 N 4.4562 6.9885 123.9952 51.8848 39.6410 175.1184 27 H 4.3779 8.8746 124.6235 58.2581 28.7835 176.9236 28 I 4.0338 7.7226 118.2940 62.6526 37.8321 176.5075 29 T 4.1192 9.2354 109.1873 60.6702 69.9524 175.4553 30 N 3.8971 8.0658 118.9560 53.7282 37.0670 173.4987 31 A 4.5816 6.9436 120.1416 51.7900 19.8871 177.4708 32 S 5.7545 8.2742 115.1174 57.2298 67.0229 173.4408 33 Q 4.7548 8.7828 117.1866 55.9875 31.3106 174.9749 34 A 4.2717 9.0306 123.8159 54.5864 19.1299 178.1567 35 E 4.1512 7.9754 115.3167 55.4542 30.4238 176.6096 36 R 2.0000 8.0737 123.7991 55.1435 30.4536 175.2675 37 P 3.9048 0.0000 0.0000 62.6644 30.8175 175.7447 38 S 4.4300 6.5985 111.6869 58.5635 65.7739 176.0565 39 G 3.6882 8.7779 108.7529 46.9199 0.0000 174.0532 *45 G 3.6853 7.6595 107.3502 44.6066 0.0000 171.5645 46 K 4.5630 8.3528 121.4796 54.3558 33.6653 175.4676 47 N 4.9528 7.9692 121.4766 52.1386 40.3134 174.5361 48 G 4.3542 8.9662 106.9805 46.5923 0.0000 174.4643 49 Q 3.9872 7.6440 122.5368 57.4883 29.6761 177.9107 50 G 3.8938 8.1077 105.0322 45.1243 0.0000 171.6853 51 E 4.8583 8.3633 118.5681 53.1411 31.4573 173.9054 52 P 4.3764 0.0000 0.0000 62.8315 31.8282 177.4011 53 A 4.2047 8.5874 123.6667 54.5071 18.8088 177.5456 54 R 4.8843 7.2357 113.1421 55.4408 33.5802 174.1421 55 V 4.4443 7.8165 116.0582 59.6295 36.8771 173.8528 56 R 4.9067 8.2412 122.2998 54.0025 32.5850 174.4494 57 C 5.4400 8.8566 122.2226 58.2420 33.1837 172.7929 58 S 5.5893 9.1587 116.1558 57.6036 66.5564 172.7561 59 H 5.8160 9.2926 115.7744 55.0408 31.9709 172.7702 60 L 4.5115 8.9535 121.1750 53.2552 44.7688 174.6060 61 L 4.9956 8.5805 128.8768 53.3707 44.7192 175.1883 62 V 4.8010 8.6340 126.1364 61.0824 33.5549 174.7562 63 K 4.5677 9.1075 128.3286 56.0903 33.4018 176.0304 64 H 5.0800 8.1362 117.1610 53.3094 31.5258 174.4228 65 S 4.3235 9.1769 112.7870 60.0959 62.3976 174.7437 66 Q 4.6482 7.9891 118.4259 55.8911 29.7661 175.7591 67 S 4.5682 7.9296 115.4902 57.9682 63.3557 175.6858 68 R 4.0821 8.2744 119.4021 58.7069 29.1626 177.3812 69 R 4.4765 7.3003 117.2414 53.9364 31.0057 173.7950 70 P 4.6368 0.0000 0.0000 61.1664 30.4498 176.5446 71 S 4.8716 7.4340 110.5560 58.2317 65.8044 172.1965 72 S 4.6105 8.4355 119.3937 56.7264 65.7453 175.2014 73 W 4.3904 8.5392 117.2457 58.7665 27.9638 177.5034 74 R 3.8360 6.9521 118.4868 58.2633 30.1614 177.0896 75 Q 4.5117 7.7033 114.5113 54.5735 31.6589 174.7650 76 E 3.8215 9.0315 123.1800 58.4595 29.7408 176.4341 77 K 4.5400 7.6146 118.1894 54.2279 33.9794 175.2557 78 I 4.5528 8.7702 128.3067 60.8597 37.4797 176.3829 79 T 4.5212 8.2799 113.6469 61.2510 70.8823 174.7102 80 R 4.1830 7.8500 119.1349 56.7020 29.9592 176.1362 81 T 4.6042 9.6690 111.8654 60.3983 71.7431 176.2531 82 K 3.8355 8.3132 119.6276 59.6430 32.0582 178.9835 83 E 3.9583 8.2871 118.3215 59.9625 29.3877 179.4598 84 E 4.4700 8.5065 119.1604 58.9724 29.4738 179.3734 85 A 3.9921 8.2038 121.1298 55.0692 18.3764 179.4779 86 L 3.9546 8.6622 119.5156 57.9500 42.0365 179.0147 87 E 3.8997 8.2036 117.8152 59.5175 29.5160 179.2372 88 L 3.6221 7.9678 120.2366 57.1019 41.5587 179.5093 89 I 3.7989 7.7108 119.7358 64.6017 37.0831 177.9813 90 N 4.3934 8.4816 117.5939 56.4007 38.3004 177.6243 91 G 3.4500 7.8405 106.8202 48.1040 0.0000 175.3176 92 Y 4.3049 7.4389 119.5950 60.6349 37.8161 178.8486 93 I 3.7830 8.0514 120.7437 64.4569 37.3084 178.0243 94 Q 3.9563 8.4003 120.7531 59.3691 28.6818 178.5793 95 K 4.0069 8.4281 120.7141 59.3839 32.1567 178.9608 96 I 4.3340 8.0661 121.8961 64.0446 36.9493 178.5762 97 K 4.0740 8.5586 118.3405 59.3757 31.9025 179.2030 98 S 4.3613 8.1175 113.6869 59.5378 63.0990 175.4060 99 G 3.9478 7.8892 110.0990 45.4204 0.0000 173.8000 100 E 4.2276 7.7158 120.8979 57.7230 30.1616 176.2283 101 E 4.8129 7.8365 116.5922 54.0562 33.9799 173.3349 102 D 5.1835 7.9915 120.9765 51.4372 42.8784 176.9611 103 F 3.9521 8.8902 123.6941 61.9423 39.2917 177.1975 104 E 4.0424 8.6069 117.4934 59.8501 29.1101 179.7125 105 S 4.1552 8.3271 113.7933 61.3354 62.9865 176.3844 106 L 4.0926 7.8413 121.8655 57.2041 40.9666 179.1381 107 A 3.7538 7.9131 121.1936 55.0970 18.2688 179.8652 108 S 4.3181 8.1231 113.6086 61.1523 62.6128 176.5751 109 Q 3.9377 7.2760 119.6978 57.0308 28.8719 176.7169 110 F 4.8439 7.8246 115.4956 56.9314 39.8567 174.5447 111 S 4.6157 7.7917 115.7698 57.5536 62.8048 174.3769 112 D 4.1616 8.9239 126.9786 54.9050 41.0136 175.6601 113 C 4.6646 7.6051 121.3601 57.7993 32.6574 174.4978 114 S 4.3039 8.8971 122.0266 60.8295 62.3488 175.9630 115 S 4.3992 8.0361 116.5152 59.5378 62.7955 175.5121 116 A 3.9898 8.3177 126.5201 55.2070 17.9048 179.7764 117 K 3.5840 7.4255 115.8185 59.1870 32.8161 177.3371 118 A 4.5978 7.6604 121.9050 51.8925 19.4333 176.8553 119 R 4.2371 8.3488 115.0229 58.0339 28.3166 177.9649 120 G 3.9960 8.4566 105.2963 45.3190 0.0000 173.4790 121 D 4.7426 7.9658 120.1286 54.1623 41.4474 175.8538 122 L 4.4932 8.5644 125.2350 53.9436 42.5740 178.2347 123 G 3.8105 8.9878 108.9740 44.7887 0.0000 172.4377 124 A 4.9913 8.2822 120.2599 51.0442 21.3064 176.7368 125 F 4.9353 8.1063 113.2403 56.5308 42.0091 172.9121 126 S 5.6636 8.6431 114.8789 56.5561 66.9423 173.3823 127 R 4.2185 8.3493 119.6566 57.8217 30.1572 177.1281 128 G 4.0970 10.0567 111.5067 45.4178 0.0000 173.6444 129 Q 4.3552 7.6941 120.0539 56.6465 30.3885 175.3754 130 M 4.4720 7.6005 115.0383 52.8746 34.7396 175.9416 131 Q 4.0632 8.3261 119.1039 56.1262 30.1852 177.5045 132 K 4.0547 8.7065 126.1132 59.5352 32.3100 176.7558 133 P 4.3064 0.0000 0.0000 65.3506 31.2865 178.5090 134 F 3.9436 8.2134 119.1074 61.1547 39.4620 176.3187 135 E 4.3598 8.6333 119.1085 59.8787 29.2287 178.2755 136 D 4.4734 8.3199 117.3986 57.5967 41.1586 178.8791 137 A 4.0560 7.8119 120.8484 55.2913 17.9883 179.5215 138 S 3.9217 7.9446 113.7256 61.9492 62.8205 176.5760 139 F 4.3075 8.2362 116.3933 58.1517 39.0781 176.6263 140 A 4.4796 7.9550 119.8901 51.4277 19.6991 177.0313 141 L 4.4429 6.7899 116.1849 53.6081 43.1851 176.4813 142 R 4.5360 8.8652 120.7597 54.2975 32.1258 176.0934 143 T 3.8366 8.2911 116.7310 66.5218 68.4111 174.5611 144 G 4.0050 8.9743 115.5863 44.8777 0.0000 172.9399 145 E 4.4616 8.3541 120.2356 55.7024 31.1915 175.0187 146 M 5.0004 8.4205 122.8392 53.8837 34.5739 175.9533 147 S 4.3955 9.1926 121.1889 58.1597 65.3138 171.7078 148 G 4.8040 8.0784 107.4526 43.2647 0.0000 170.8586 149 P 4.5064 0.0000 0.0000 62.9447 31.9020 176.2896 150 V 4.4704 8.5309 124.8279 61.1018 34.0249 174.0802 151 F 5.4271 9.2327 126.7244 56.6011 40.9174 175.4094 152 T 4.7711 9.2317 111.9916 60.6930 71.8287 173.8939 153 D 4.5854 8.8101 119.7652 57.6770 41.0514 179.2549 154 S 4.2264 8.0514 114.8444 59.7345 64.0569 174.7833 155 G 3.9423 6.3079 108.4188 45.5576 0.0000 171.7864 156 I 4.7160 7.9456 124.9035 59.7429 39.9707 174.5475 157 H 6.1337 9.4552 122.5696 53.1021 33.6140 172.4495 158 I 4.9958 8.3659 118.7666 59.8796 40.7348 174.6311 159 I 5.0110 9.9038 128.4751 59.3048 40.2743 174.4116 160 L 4.7514 8.4829 127.9991 53.0811 44.6872 174.9388 161 R 4.7208 8.4615 127.8629 55.8725 30.7231 176.5343 162 T 4.3664 8.9219 116.6615 62.0474 70.9389 174.6579 163 E 4.1580 7.6737 126.6290 56.6440 30.7143 174.7191 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 6 K 8.31 4.12 0.00 1.75 1.83 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 7 L 8.52 3.46 0.00 2.05 1.88 1.21 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.46 0.00 2.44 2.11 0.00 3.44 0.00 0.00 3.67 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 9 P 0.00 4.42 0.00 2.09 2.07 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 10 G 9.23 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 11 W 7.63 5.22 0.00 3.37 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 12 E 9.17 4.84 0.00 2.18 1.90 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 2.24 2.31 0.00 13 K 8.78 3.90 0.00 1.48 1.54 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.49 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 0.77 7.81 14 R 8.58 4.59 0.00 0.67 1.39 0.00 3.23 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 15 M 8.01 5.30 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 16 S 8.69 4.59 0.00 3.88 3.80 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 0.00 0.00 0.00 17 R 8.64 3.97 0.00 1.87 1.84 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 18 S 8.85 3.78 0.00 3.97 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 19 S 7.84 4.68 0.00 3.76 3.70 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 20 G 8.39 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.71 3.99 0.00 1.94 1.99 0.00 3.19 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 22 V 8.50 4.65 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 0.69 0.00 0.00 0.91 0.00 0.00 23 Y 8.46 5.11 0.00 3.37 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 24 Y 9.43 5.07 0.00 3.12 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 25 F 9.37 5.26 0.00 3.24 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 26 N 6.99 4.46 0.00 1.44 1.47 0.00 0.00 7.08 7.32 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 27 H 8.87 4.38 0.00 3.04 3.40 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.72 4.03 1.87 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 1.45 0.44 0.91 0.00 0.00 29 T 9.24 4.12 4.06 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 0.00 0.00 1.15 0.00 0.00 30 N 8.07 3.90 0.00 2.95 3.09 0.00 0.00 6.74 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 31 A 6.94 4.58 1.11 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 0.00 0.00 32 S 8.27 5.75 0.00 3.83 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 33 Q 8.78 4.75 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 34 A 9.03 4.27 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 35 E 7.98 4.15 0.00 1.84 1.75 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 2.27 2.33 0.00 36 R 8.07 2.00 0.00 1.43 1.45 0.00 3.15 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.00 37 P 0.00 3.90 0.00 0.83 0.49 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.00 38 S 6.60 4.43 0.00 3.80 3.65 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 0.00 0.00 0.00 39 G 8.78 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 0.00 0.00 0.00 *45 G 7.66 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 0.00 0.00 0.00 46 K 8.35 4.56 0.00 1.71 1.69 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.40 7.81 47 N 7.97 4.95 0.00 2.84 2.84 0.00 0.00 6.13 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 48 G 8.97 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 49 Q 7.64 3.99 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 50 G 8.11 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 0.00 0.00 0.00 51 E 8.36 4.86 0.00 2.19 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 0.00 2.17 2.29 0.00 52 P 0.00 4.38 0.00 2.40 2.21 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 53 A 8.59 4.20 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 54 R 7.24 4.88 0.00 1.81 1.76 0.00 3.23 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 55 V 7.82 4.44 1.58 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 0.02 0.00 0.00 -0.38 0.00 0.00 56 R 8.24 4.91 0.00 1.78 1.74 0.00 3.06 0.00 0.00 3.36 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 57 C 8.86 5.44 0.00 3.28 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 58 S 9.16 5.59 0.00 3.68 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 59 H 9.29 5.82 0.00 3.61 3.61 0.00 5.50 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 60 L 8.95 4.51 0.00 1.24 1.41 0.40 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.58 5.00 0.00 1.89 1.48 0.71 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.63 4.80 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 1.00 0.00 0.00 1.07 0.00 0.00 63 K 9.11 4.57 0.00 1.60 1.64 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.32 7.81 64 H 8.14 5.08 0.00 3.40 3.53 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.18 4.32 0.00 3.96 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 0.00 66 Q 7.99 4.65 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 67 S 7.93 4.57 0.00 3.87 3.81 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 68 R 8.27 4.08 0.00 1.94 2.09 0.00 3.03 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 69 R 7.30 4.48 0.00 1.82 1.81 0.00 3.27 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 70 P 0.00 4.64 0.00 2.25 2.23 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 71 S 7.43 4.87 0.00 3.83 3.70 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 72 S 8.44 4.61 0.00 3.90 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 73 W 8.54 4.39 0.00 3.54 3.26 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 74 R 6.95 3.84 0.00 1.32 1.60 0.00 2.46 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.70 4.51 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.74 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 76 E 9.03 3.82 0.00 1.95 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 0.00 2.30 2.32 0.00 77 K 7.61 4.54 0.00 1.66 1.64 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.48 7.81 78 I 8.77 4.55 1.85 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 1.14 2.01 0.96 0.00 0.00 79 T 8.28 4.52 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 1.20 0.00 0.00 80 R 7.85 4.18 0.00 2.11 2.11 0.00 3.10 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 81 T 9.67 4.60 4.38 0.00 0.00 0.00 0.00 0.00 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 82 K 8.31 3.84 0.00 1.76 1.91 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.99 1.12 7.81 83 E 8.29 3.96 0.00 2.05 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 2.41 2.50 0.00 84 E 8.51 4.47 0.00 2.16 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 2.31 2.18 0.00 85 A 8.20 3.99 1.47 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 0.00 0.00 86 L 8.66 3.95 0.00 1.86 1.93 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.20 3.90 0.00 2.19 2.35 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 2.34 2.25 0.00 88 L 7.97 3.62 0.00 1.83 1.55 0.90 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 89 I 7.71 3.80 2.02 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 1.77 0.82 0.92 0.00 0.00 90 N 8.48 4.39 0.00 2.67 2.86 0.00 0.00 7.01 8.20 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 91 G 7.84 3.45 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 0.00 0.00 0.00 0.00 92 Y 7.44 4.30 0.00 3.17 2.92 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 93 I 8.05 3.78 2.06 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 1.52 1.01 0.98 0.00 0.00 94 Q 8.40 3.96 0.00 2.05 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 95 K 8.43 4.01 0.00 1.92 2.07 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 96 I 8.07 4.33 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 1.04 0.00 0.00 97 K 8.56 4.07 0.00 1.85 1.92 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.66 7.81 98 S 8.12 4.36 0.00 4.05 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 99 G 7.89 3.95 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 0.00 0.00 0.00 100 E 7.72 4.23 0.00 1.94 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 0.00 2.34 2.30 0.00 101 E 7.84 4.81 0.00 2.06 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 2.36 2.33 0.00 102 D 7.99 5.18 0.00 2.78 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 0.00 103 F 8.89 3.95 0.00 3.13 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 0.00 104 E 8.61 4.04 0.00 2.41 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 2.48 2.57 0.00 105 S 8.33 4.16 0.00 4.07 4.21 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 0.00 0.00 0.00 0.00 106 L 7.84 4.09 0.00 1.64 1.48 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.91 3.75 1.05 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 0.00 0.00 0.00 0.00 0.00 108 S 8.12 4.32 0.00 3.81 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 0.00 109 Q 7.28 3.94 0.00 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.20 0.00 0.00 0.00 0.00 0.00 2.08 2.34 0.00 110 F 7.82 4.84 0.00 2.60 2.92 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 0.00 111 S 7.79 4.62 0.00 3.85 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 0.00 112 D 8.92 4.16 0.00 2.58 2.56 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 0.00 0.00 0.00 0.00 113 C 7.61 4.66 0.00 3.07 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 0.00 114 S 8.90 4.30 0.00 4.08 4.21 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 0.00 0.00 0.00 0.00 115 S 8.04 4.40 0.00 4.14 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 0.00 116 A 8.32 3.99 1.48 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 0.00 0.00 117 K 7.43 3.58 0.00 1.66 1.67 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.30 7.81 118 A 7.66 4.60 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 0.00 119 R 8.35 4.24 0.00 2.01 2.05 0.00 3.14 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 120 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.74 0.00 2.71 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 0.00 122 L 8.56 4.49 0.00 2.00 1.69 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.99 3.81 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 0.00 0.00 0.00 124 A 8.28 4.99 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 0.00 125 F 8.11 4.94 0.00 3.17 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 0.00 126 S 8.64 5.66 0.00 3.87 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 0.00 127 R 8.35 4.22 0.00 1.57 1.77 0.00 2.76 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 128 G 10.06 4.10 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 0.00 129 Q 7.69 4.36 0.00 2.20 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 130 M 7.60 4.47 0.00 1.74 2.01 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.87 0.00 131 Q 8.33 4.06 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 132 K 8.71 4.05 0.00 1.90 1.87 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.55 1.69 7.81 133 P 0.00 4.31 0.00 2.42 2.19 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 134 F 8.21 3.94 0.00 3.02 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 0.00 135 E 8.63 4.36 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 136 D 8.32 4.47 0.00 2.93 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 0.00 137 A 7.81 4.06 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 0.00 138 S 7.94 3.92 0.00 4.27 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 0.00 139 F 8.24 4.31 0.00 3.03 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 0.00 140 A 7.95 4.48 1.32 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 0.00 0.00 0.00 141 L 6.79 4.44 0.00 1.75 1.54 0.87 0.80 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 0.00 142 R 8.87 4.54 0.00 1.97 1.81 0.00 3.15 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 143 T 8.29 3.84 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 1.16 0.00 0.00 144 G 8.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.35 4.46 0.00 2.02 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 2.32 2.38 0.00 146 M 8.42 5.00 0.00 2.02 1.86 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 2.57 2.55 0.00 147 S 9.19 4.40 0.00 3.92 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 0.00 148 G 8.08 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.51 0.00 2.03 1.88 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 150 V 8.53 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 1.02 0.00 0.00 0.95 0.00 0.00 151 F 9.23 5.43 0.00 2.97 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 0.00 152 T 9.23 4.77 4.53 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 1.39 0.00 0.00 153 D 8.81 4.59 0.00 2.94 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 0.00 154 S 8.05 4.23 0.00 3.99 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 0.00 155 G 6.31 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 0.00 0.00 0.00 156 I 7.95 4.72 1.72 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 0.86 0.84 0.30 0.00 0.00 157 H 9.46 6.13 0.00 3.17 3.44 0.00 5.76 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 0.00 158 I 8.37 5.00 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 1.14 0.00 0.00 159 I 9.90 5.01 1.68 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.91 0.73 0.00 0.00 160 L 8.48 4.75 0.00 0.39 0.50 0.68 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.46 4.72 0.00 1.83 1.67 0.00 2.96 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 162 T 8.92 4.37 4.21 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 0.00 0.00 0.00 1.16 0.00 0.00 163 E 7.67 4.16 0.00 1.91 1.73 0.00 0.00 0.00 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 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.