NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2403 8.1844 120.6283 54.4404 44.0865 176.8795 3 K 3.7940 7.8937 120.8888 56.0067 32.9743 173.8705 4 Q 4.9753 8.9466 129.4420 55.0530 30.7955 174.2109 5 V 4.8023 8.7828 125.0143 61.3614 36.0216 173.3312 6 E 5.0212 8.9540 123.5293 54.4750 32.7045 175.1664 7 I 4.9180 8.2030 124.2006 59.3949 41.0110 174.3887 8 F 5.4145 9.1381 125.0970 55.9591 42.0686 174.4857 9 T 5.3397 8.7076 111.9693 60.7572 71.8420 172.5497 10 D 4.6512 8.8783 119.3074 53.5765 45.1607 174.5338 11 G 4.4284 8.8817 111.3924 44.7372 0.0000 172.0454 12 S 4.9643 8.9975 114.9597 56.4343 66.4500 172.3389 13 C 5.1202 8.3518 123.9059 58.4338 34.0161 173.5953 14 L 4.3231 9.2316 125.4043 55.9931 41.9729 176.4324 15 G 4.1020 7.4910 105.9785 45.2565 0.0000 172.5952 16 N 5.0578 8.1679 114.3081 51.8591 38.6550 172.4234 17 P 4.6786 0.0000 0.0000 61.7660 34.0500 175.6171 18 G 4.0178 8.1953 105.7911 45.2495 0.0000 170.8479 19 P 4.9250 0.0000 0.0000 62.5309 32.6179 176.3417 20 G 4.3910 9.0905 109.6768 46.0145 0.0000 171.3002 21 G 4.7012 9.1471 106.5029 45.5924 0.0000 171.7269 22 Y 5.5366 8.2300 117.4811 55.1368 41.8164 174.8532 23 G 4.6742 9.3601 106.1722 45.0746 0.0000 171.5067 24 A 5.4767 9.2737 123.3455 50.6836 23.4589 175.1968 25 I 5.0842 9.2531 121.8342 59.4112 40.9493 174.2547 26 L 5.2991 9.5639 129.4984 53.2298 44.6105 175.1303 27 R 5.2380 9.2854 122.9643 54.5397 32.8882 173.7463 28 Y 4.8687 8.6979 123.4649 57.1625 40.8621 176.6639 29 R 3.2215 9.0921 119.0874 55.7698 26.9786 174.7737 30 G 4.2616 7.6028 123.2745 46.1526 0.0000 171.5106 31 R 4.0570 7.7228 117.0894 55.6176 31.1419 175.7007 32 E 5.3273 8.5287 120.0595 54.5582 33.2522 175.4560 33 K 4.5267 9.1694 121.2916 55.0054 35.8865 175.4675 34 T 5.0157 8.2163 120.7754 61.8421 71.3095 173.8285 35 F 5.1378 9.0780 122.9883 56.0602 43.2717 173.9828 36 S 4.8301 8.9814 113.9395 58.7106 65.2347 174.5162 37 A 4.2829 6.9757 120.8430 50.9406 22.4119 175.2159 38 G 4.2758 8.2643 107.4275 44.5639 0.0000 171.7730 39 Y 5.3274 9.1676 120.6614 55.9605 41.2289 177.0991 40 T 3.9911 8.9319 113.4785 64.4896 70.3517 174.0206 41 R 4.5838 7.9303 122.0209 55.9458 32.4037 173.4928 42 T 4.1135 8.6031 123.2645 61.5655 70.9884 172.1591 43 T 4.7686 7.8409 108.4358 58.9765 71.8975 174.0894 44 N 4.2248 8.5978 120.1274 56.8975 38.8940 176.6639 45 N 4.0721 7.8385 117.2892 56.4213 38.4643 177.4585 46 R 3.8024 7.6858 119.2755 59.4402 30.1176 179.0801 47 M 4.0496 8.0224 118.3558 58.1843 31.9668 178.6444 48 A 4.0792 8.1749 121.1229 55.1240 18.4861 179.7669 49 L 3.8260 7.6985 117.0929 58.0097 41.5989 179.2356 50 M 3.6989 8.1900 118.2872 58.4442 31.9390 177.9568 51 A 3.7006 7.9592 120.5587 55.1218 18.4995 179.5746 52 A 3.9006 7.5365 118.3300 55.2030 18.4321 179.7254 53 I 3.5262 7.7171 118.5068 64.6177 36.9940 178.7672 54 V 3.3001 7.4523 117.3748 65.7434 31.7093 177.5857 55 A 3.3612 7.2917 120.4452 54.9743 18.3717 179.6028 56 L 3.8133 7.8165 117.5467 57.9553 41.5157 179.4673 57 E 4.0965 8.1104 116.5119 58.2776 29.4383 178.5291 58 A 4.1455 7.3156 119.7550 52.9845 18.9009 177.7597 59 L 4.0576 7.2101 117.8752 54.9096 42.1137 177.0935 60 K 4.4824 8.4122 121.3680 55.7839 32.4540 175.4544 61 E 4.5933 7.4162 115.2549 55.0715 31.8750 174.3795 62 H 4.5387 8.4911 117.5289 56.5084 29.2035 174.7015 63 C 5.0272 8.9512 119.2572 57.9138 33.2760 172.2690 64 E 4.7623 9.1653 122.0161 54.9652 30.8265 174.6671 65 V 4.5886 8.8358 127.7230 61.1203 34.4849 174.3865 66 I 4.4353 8.2431 129.1112 59.8889 38.3834 174.4897 67 L 4.4273 8.1831 131.2726 53.5162 43.3260 174.9111 68 S 5.2675 8.8830 122.7717 57.0471 64.3064 172.7200 69 T 5.1833 8.8430 120.3733 61.0632 71.0208 173.3525 70 D 5.2218 8.7450 124.6486 52.3144 40.2732 176.5627 71 S 4.2943 8.2394 116.3421 58.6146 63.1081 174.4863 72 Q 3.9103 8.7911 130.4145 59.1531 28.9614 177.2661 73 Y 4.1795 8.0360 120.3014 60.7707 38.9331 178.1203 74 V 3.7418 7.9494 119.1475 65.8576 31.6688 177.8461 75 R 2.5100 7.6079 118.3682 59.0222 29.7446 178.5204 76 Q 3.5670 7.9563 118.1228 58.5793 28.5351 179.0401 77 G 3.1893 7.8643 106.6554 47.6236 0.0000 175.8929 78 I 3.5922 7.5774 121.8349 64.1345 37.3238 178.2873 79 T 3.9674 7.5715 107.7475 62.8884 68.8612 175.2007 80 Q 3.9222 7.1593 119.0128 56.5300 30.9207 176.1880 81 W 4.3059 6.6309 115.8402 55.3941 31.6408 177.0299 82 I 3.3867 7.2614 119.1218 64.3318 37.1623 177.0659 83 H 3.9755 7.8412 118.1740 59.3094 29.7999 176.8458 84 N 4.1663 7.7810 117.6906 55.9271 38.4305 177.0385 85 W 4.1870 7.8130 120.6870 59.6841 29.2397 178.1966 86 K 2.6268 7.0042 118.7387 59.3321 31.3346 178.6284 87 A 3.9805 7.4453 119.1168 54.3057 18.5209 178.7127 88 R 4.4607 7.6241 115.6574 55.3051 30.3151 176.8688 89 G 4.0121 8.0446 105.6263 46.5963 0.0000 174.1280 90 W 3.5291 8.0090 115.9713 57.6932 27.2082 174.3214 91 K 4.8482 7.4687 114.2276 54.6214 35.4584 176.7145 92 T 4.2783 8.7097 111.5509 60.2897 70.6901 175.4106 93 A 3.9782 8.6482 123.7667 55.5191 18.1578 178.8073 94 D 4.6876 7.8935 112.8851 54.1389 40.4099 176.1367 95 K 3.8249 7.5775 114.2271 59.1362 30.4200 175.4219 96 K 4.7382 7.6455 116.1880 53.5703 36.0250 175.5769 97 P 4.7009 0.0000 0.0000 63.0176 31.4520 176.8943 98 V 3.6803 8.1278 117.4583 60.6794 32.7791 175.9118 99 K 3.9612 8.3961 123.9675 57.9013 32.7807 176.0578 100 N 4.4305 9.0152 120.6544 53.9957 36.4857 176.9231 101 V 3.5925 7.4964 120.0732 64.9911 30.6839 176.8487 102 D 4.2143 8.0200 119.1285 56.4241 39.0252 178.6655 103 L 3.9144 7.6933 119.9862 56.9549 41.7408 179.1948 104 W 4.3830 8.1941 118.9670 59.9271 28.9538 178.6196 105 Q 3.2470 7.9217 118.1620 58.7483 28.0302 179.0388 106 R 3.9117 7.6536 119.0917 59.0296 29.9870 178.8966 107 L 4.0466 8.3521 120.7952 58.0620 42.1038 178.4763 108 D 4.5787 8.8388 118.4150 57.2184 40.9809 178.1838 109 A 4.0180 7.9782 120.3384 55.2103 18.6548 179.1268 110 A 4.0928 8.0702 119.3468 55.2510 18.3438 179.9169 111 L 4.0897 8.3985 117.8401 57.8754 41.6173 179.6788 112 G 3.8081 8.0275 103.5147 46.8574 0.0000 174.7792 113 Q 4.2882 7.5887 119.0445 56.8217 29.1686 174.5771 114 H 5.0550 7.7014 115.2087 54.0426 33.5984 173.5468 115 Q 4.3833 8.9937 118.9907 54.9987 29.0460 174.8809 116 I 4.4355 8.0401 124.8491 59.7401 38.9461 175.6721 117 K 4.4062 8.8317 126.0031 54.2431 34.7455 175.4301 118 W 4.3256 8.6235 125.6234 56.0900 30.3460 176.2289 119 E 4.3241 8.8849 124.1481 54.1235 31.4230 175.0644 120 W 5.1020 8.2883 125.3546 56.4900 29.8860 177.0179 121 V 3.8501 8.8209 126.7357 61.6621 33.8627 174.8448 *127 H 4.8234 8.1270 114.3924 55.1734 29.5408 172.2925 128 P 4.2061 0.0000 0.0000 65.7107 31.7727 178.3328 129 E 3.7429 7.7240 116.7522 59.3562 29.2250 179.0291 130 N 4.4907 7.9240 116.0419 56.3046 38.6758 177.2116 131 E 4.0277 8.1707 120.0114 59.4258 29.5455 179.5444 132 R 3.9657 8.1030 118.1660 59.4214 29.9942 178.9437 133 C 4.2545 8.1671 116.6901 62.7795 28.0426 175.5825 134 D 4.5415 8.1157 121.0983 56.8228 40.6904 178.2318 135 E 3.9966 8.1466 119.2161 59.2497 29.4675 179.2249 136 L 3.9674 8.1535 118.9044 57.6871 41.6445 179.4891 137 A 4.0680 8.4142 121.0667 55.2908 18.2443 179.9212 138 R 3.8596 8.4061 116.7994 59.3569 29.8955 179.2022 139 A 3.9761 8.1955 119.8235 54.9346 18.5941 179.3031 140 A 3.9785 7.9823 119.1835 55.2851 18.2808 179.6861 141 A 4.1591 7.9696 118.0649 55.2256 18.4685 178.8098 142 M 4.3426 7.4322 114.7620 55.5760 33.6077 176.2513 143 N 4.9813 8.1660 117.9942 51.5433 39.4533 172.6242 144 P 4.3631 0.0000 0.0000 63.1394 32.4417 176.9082 145 T 4.5088 8.4699 110.0315 60.7661 70.2410 173.2697 146 L 4.7651 7.2739 121.3091 52.8673 45.4369 174.3628 147 E 4.9434 8.5161 120.3931 54.7175 31.4294 175.9416 148 D 4.7792 8.5801 125.9760 52.9077 39.8137 176.4880 149 T 4.0230 8.3097 114.7965 63.4834 69.1284 176.3468 150 G 3.7656 7.6552 108.8579 46.1617 0.0000 173.2195 151 Y 4.2420 7.8440 121.8600 57.3723 38.6564 175.2207 152 Q 3.9381 8.3770 127.5711 54.4492 28.4602 176.0665 153 V 2.7206 7.7668 122.9343 63.4460 31.6179 175.6479 154 E 4.1827 8.3140 125.9713 55.5950 30.3643 176.4249 155 V 3.6673 7.7517 122.8103 63.3044 32.5259 171.6285 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 L 8.18 4.24 0.00 1.66 1.81 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.89 3.79 0.00 1.83 1.59 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.13 7.81 4 Q 8.95 4.98 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 5 V 8.78 4.80 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.81 0.00 0.00 6 E 8.95 5.02 0.00 1.95 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 2.14 2.37 0.00 7 I 8.20 4.92 1.62 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.82 0.00 0.00 8 F 9.14 5.41 0.00 3.02 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 9 T 8.71 5.34 4.34 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 1.30 0.00 0.00 10 D 8.88 4.65 0.00 2.86 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 11 G 8.88 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.00 4.96 0.00 3.89 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 13 C 8.35 5.12 0.00 2.93 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 14 L 9.23 4.32 0.00 1.60 1.70 0.92 0.83 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 15 G 7.49 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 16 N 8.17 5.06 0.00 2.64 2.67 0.00 0.00 6.86 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 17 P 0.00 4.68 0.00 2.11 1.96 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 18 G 8.20 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 19 P 0.00 4.92 0.00 2.09 1.99 0.00 3.90 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 2.12 2.11 0.00 20 G 9.09 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 21 G 9.15 4.70 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 0.00 0.00 0.00 22 Y 8.23 5.54 0.00 3.06 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 23 G 9.36 4.67 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 0.00 0.00 0.00 24 A 9.27 5.48 1.45 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 25 I 9.25 5.08 2.18 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 1.20 0.84 1.06 0.00 0.00 26 L 9.56 5.30 0.00 1.95 1.95 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.29 5.24 0.00 2.07 2.10 0.00 2.86 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 28 Y 8.70 4.87 0.00 2.89 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 29 R 9.09 3.22 0.00 1.82 2.06 0.00 2.76 0.00 0.00 2.86 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 30 G 7.60 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 0.00 0.00 0.00 0.00 31 R 7.72 4.06 0.00 1.98 1.90 0.00 3.10 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 32 E 8.53 5.33 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 33 K 9.17 4.53 0.00 1.67 1.35 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.41 7.81 34 T 8.22 5.02 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 1.20 0.00 0.00 35 F 9.08 5.14 0.00 3.08 3.14 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 0.00 0.00 0.00 36 S 8.98 4.83 0.00 3.77 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 37 A 6.98 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.26 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 0.00 0.00 0.00 0.00 39 Y 9.17 5.33 0.00 2.90 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 40 T 8.93 3.99 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 1.22 0.00 0.00 41 R 7.93 4.58 0.00 1.86 1.94 0.00 3.35 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 42 T 8.60 4.11 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 1.22 0.00 0.00 43 T 7.84 4.77 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 0.72 0.00 0.00 44 N 8.60 4.22 0.00 2.81 2.79 0.00 0.00 6.89 6.71 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 45 N 7.84 4.07 0.00 2.28 1.42 0.00 0.00 7.13 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.69 3.80 0.00 1.65 1.78 0.00 3.30 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 47 M 8.02 4.05 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.79 0.00 48 A 8.17 4.08 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 0.00 0.00 0.00 0.00 0.00 49 L 7.70 3.83 0.00 1.65 1.42 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.19 3.70 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.52 0.00 51 A 7.96 3.70 1.54 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 0.00 0.00 52 A 7.54 3.90 1.45 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 53 I 7.72 3.53 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.86 0.00 0.00 54 V 7.45 3.30 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 0.58 0.00 0.00 0.66 0.00 0.00 55 A 7.29 3.36 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 56 L 7.82 3.81 0.00 1.66 1.69 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.11 4.10 0.00 1.81 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 2.47 0.00 58 A 7.32 4.15 1.27 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 59 L 7.21 4.06 0.00 1.76 1.55 0.54 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.41 4.48 0.00 1.69 1.78 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.50 7.81 61 E 7.42 4.59 0.00 1.97 1.82 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 2.09 2.24 0.00 62 H 8.49 4.54 0.00 3.05 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.95 5.03 0.00 2.67 2.77 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 64 E 9.17 4.76 0.00 1.96 1.79 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 2.17 2.19 0.00 65 V 8.84 4.59 1.82 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 0.64 0.00 0.00 0.70 0.00 0.00 66 I 8.24 4.44 1.68 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 1.01 0.75 0.77 0.00 0.00 67 L 8.18 4.43 0.00 0.89 0.77 0.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.88 5.27 0.00 3.82 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 69 T 8.84 5.18 4.50 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 1.73 0.00 0.00 70 D 8.74 5.22 0.00 2.88 2.80 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 71 S 8.24 4.29 0.00 4.07 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 72 Q 8.79 3.91 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 73 Y 8.04 4.18 0.00 3.17 3.05 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 74 V 7.95 3.74 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.04 0.00 0.00 75 R 7.61 2.51 0.00 1.08 1.45 0.00 2.27 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 76 Q 7.96 3.57 0.00 1.92 1.78 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 2.05 2.31 0.00 77 G 7.86 3.19 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 0.00 78 I 7.58 3.59 1.53 0.00 0.00 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 1.77 0.01 0.61 0.00 0.00 79 T 7.57 3.97 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 0.89 0.00 0.00 80 Q 7.16 3.92 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.76 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 81 W 6.63 4.31 0.00 1.78 1.74 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 82 I 7.26 3.39 1.83 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.93 0.00 0.00 83 H 7.84 3.98 0.00 3.21 3.16 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.78 4.17 0.00 2.65 2.74 0.00 0.00 7.07 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 85 W 7.81 4.19 0.00 2.87 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.00 2.63 0.00 1.45 1.67 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.50 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.56 7.81 87 A 7.45 3.98 1.21 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 0.00 0.00 88 R 7.62 4.46 0.00 1.89 1.89 0.00 3.23 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 89 G 8.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.01 3.53 0.00 3.53 3.23 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 91 K 7.47 4.85 0.00 2.01 1.66 0.00 1.64 0.00 0.00 2.06 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.38 7.81 92 T 8.71 4.28 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 1.20 0.00 0.00 93 A 8.65 3.98 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 94 D 7.89 4.69 0.00 2.78 2.75 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 95 K 7.58 3.82 0.00 1.92 1.89 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.53 7.81 96 K 7.65 4.74 0.00 1.67 1.63 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.64 7.81 97 P 0.00 4.70 0.00 1.90 1.98 0.00 3.66 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 2.01 2.12 0.00 98 V 8.13 3.68 1.27 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 0.28 0.00 0.00 0.61 0.00 0.00 99 K 8.40 3.96 0.00 1.74 1.81 0.00 2.11 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.52 7.81 100 N 9.02 4.43 0.00 3.24 2.89 0.00 0.00 6.82 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 0.00 101 V 7.50 3.59 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 0.76 0.00 0.00 0.78 0.00 0.00 102 D 8.02 4.21 0.00 2.82 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 0.00 103 L 7.69 3.91 0.00 1.50 1.52 0.76 0.84 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 0.00 104 W 8.19 4.38 0.00 3.28 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.92 3.25 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.65 3.91 0.00 1.86 1.91 0.00 3.07 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 107 L 8.35 4.05 0.00 1.72 2.02 1.10 1.18 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 0.00 108 D 8.84 4.58 0.00 3.36 3.11 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 0.00 109 A 7.98 4.02 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 0.00 110 A 8.07 4.09 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 0.00 111 L 8.40 4.09 0.00 2.04 1.87 1.40 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.03 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 0.00 113 Q 7.59 4.29 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 114 H 7.70 5.05 0.00 2.92 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.99 4.38 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 116 I 8.04 4.44 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 -0.14 0.00 0.00 117 K 8.83 4.41 0.00 1.63 1.57 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.37 7.81 118 W 8.62 4.33 0.00 2.48 1.74 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 0.00 119 E 8.88 4.32 0.00 1.71 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 2.06 2.32 0.00 120 W 8.29 5.10 0.00 3.22 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 0.00 121 V 8.82 3.85 2.16 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 0.81 0.00 0.00 0.94 0.00 0.00 *127 H 8.13 4.82 0.00 3.30 3.57 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.21 0.00 2.05 2.04 0.00 3.52 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 129 E 7.72 3.74 0.00 1.16 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 1.47 2.05 0.00 130 N 7.92 4.49 0.00 3.01 2.96 0.00 0.00 7.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.17 4.03 0.00 2.20 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 2.36 2.63 0.00 132 R 8.10 3.97 0.00 2.03 1.97 0.00 3.08 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 133 C 8.17 4.25 0.00 3.27 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 0.00 134 D 8.12 4.54 0.00 2.97 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 0.00 135 E 8.15 4.00 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 136 L 8.15 3.97 0.00 1.93 1.74 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.41 4.07 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 0.00 138 R 8.41 3.86 0.00 2.04 2.00 0.00 3.22 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 139 A 8.20 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.98 3.98 1.31 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 0.00 0.00 0.00 0.00 0.00 141 A 7.97 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.43 4.34 0.00 1.94 2.23 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 2.60 2.83 0.00 143 N 8.17 4.98 0.00 2.55 2.62 0.00 0.00 7.14 7.33 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 0.00 144 P 0.00 4.36 0.00 2.25 2.12 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 1.97 1.95 0.00 145 T 8.47 4.51 4.17 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 0.00 0.00 0.00 1.21 0.00 0.00 146 L 7.27 4.77 0.00 0.92 1.41 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.52 4.94 0.00 1.96 1.88 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 2.29 2.35 0.00 148 D 8.58 4.78 0.00 2.63 2.75 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 0.00 149 T 8.31 4.02 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 1.26 0.00 0.00 150 G 7.66 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 0.00 0.00 0.00 151 Y 7.84 4.24 0.00 3.00 3.05 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 0.00 152 Q 8.38 3.94 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 153 V 7.77 2.72 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 0.78 0.00 0.00 0.77 0.00 0.00 154 E 8.31 4.18 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 155 V 7.75 3.67 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.