NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3747 8.0276 120.7646 54.2564 43.7903 178.7607 3 F 4.2497 8.2048 114.2330 59.1718 37.9450 174.0081 4 E 3.6673 7.5241 121.4920 59.4500 30.2295 179.8429 5 S 4.4292 7.7085 113.7217 59.3682 62.9603 177.4085 6 I 4.4279 7.0262 118.7788 61.6392 37.1456 175.1553 7 N 4.7790 8.4193 123.7465 52.7322 42.2458 173.6372 8 T 4.0564 8.6600 119.0576 63.6408 68.8229 174.6932 9 G 4.1622 8.6751 114.9611 44.0072 0.0000 171.8044 10 C 4.5294 8.2554 118.3437 57.8531 34.2309 172.4978 11 L 4.6430 8.4814 128.8639 53.0156 43.4149 175.3604 12 D 4.6598 8.6015 125.8275 53.5574 42.1099 176.8061 13 G 3.9524 8.9397 113.2574 48.4617 0.0000 173.9960 14 N 4.9207 8.0612 114.9540 52.8076 37.7080 174.8567 15 D 4.9071 7.9843 116.0125 54.9075 41.7222 176.0647 16 T 4.5693 7.3964 113.9828 59.8204 70.1057 171.5643 17 P 4.4946 0.0000 0.0000 61.9089 32.3989 175.9844 18 W 4.2631 8.2922 120.2039 55.6843 29.9561 173.8493 *20 P 4.4060 0.0000 0.0000 62.8673 32.1604 177.1965 21 F 4.3239 8.7402 123.3568 57.2631 37.6591 174.6847 22 A 4.4935 7.5792 125.7201 51.2105 19.5665 175.6402 23 P 4.6506 0.0000 0.0000 62.9937 31.7599 176.5597 24 Y 4.4653 7.7264 117.9865 60.6020 38.3697 175.8625 25 S 4.7018 8.3354 111.6578 56.7486 65.6265 172.8519 26 N 4.7803 8.7311 123.4260 54.4561 39.8947 175.6797 27 D 4.4660 8.0846 117.0314 56.7222 41.5954 176.8256 28 V 4.3882 7.7735 118.5831 61.5960 33.1613 175.3806 *30 V 4.4541 8.0331 121.9013 61.4454 32.7362 174.8287 31 K 4.2002 8.2396 122.9590 54.7848 34.9693 174.2867 32 Y 4.5643 8.3090 125.3923 57.3095 38.3163 175.0946 33 F 4.5518 9.0649 123.1320 58.5457 41.1495 176.4322 34 K 4.4680 7.8375 117.8973 55.1637 35.8941 175.3424 35 I 5.2241 8.3292 126.5354 59.5490 39.1744 171.7885 36 D 4.5665 9.5254 125.4518 53.0520 41.5996 174.6980 37 P 2.9700 0.0000 0.0000 63.5503 31.6363 177.6630 38 V 3.5679 7.2913 119.4648 65.6573 31.6340 177.0099 39 R 4.0884 7.9421 116.8700 56.0568 31.1786 176.1998 40 G 3.8271 7.8941 105.7925 46.5820 0.0000 172.5812 41 E 5.3548 8.2995 119.2308 54.4372 33.5567 175.5224 42 T 5.2199 8.9816 115.5546 59.9883 72.7468 172.5814 43 I 4.9468 8.6173 124.7070 59.8551 39.9738 174.7862 44 T 5.3025 8.6932 116.2830 60.4706 72.9166 172.4272 45 L 5.2997 8.5602 121.9506 53.1362 44.7077 175.7287 46 L 5.0865 9.0193 124.0915 53.4766 45.2492 174.7517 47 K 5.0745 9.0746 127.7889 55.1030 34.4824 174.9225 48 A 4.7532 8.8980 128.4706 49.6717 22.6481 174.0406 49 P 4.8487 0.0000 0.0000 62.1427 32.4190 176.3498 50 A 3.9134 8.6546 123.7559 53.0567 18.8763 175.9446 51 G 3.5497 8.0613 115.6628 46.0562 0.0000 173.8671 *53 E 4.0068 8.1934 120.9470 54.5534 31.3970 171.7080 *55 P 4.2779 0.0000 0.0000 63.4591 32.4383 176.3196 56 R 4.4294 8.3095 120.7353 56.7673 31.3202 174.7772 57 H 5.2002 8.9861 120.7729 54.0340 32.5544 171.3503 58 H 5.1234 9.2251 120.5881 54.8182 32.1660 172.5985 59 H 5.4234 8.5398 125.5248 54.6224 31.7170 174.7822 60 T 3.9540 8.5851 116.4484 63.3961 69.2687 175.2687 61 G 4.5369 7.6754 111.1048 45.3189 0.0000 172.3483 62 T 5.0787 8.5085 114.0078 60.2603 72.3964 174.3029 63 V 4.6714 8.0971 121.0660 61.5726 35.2197 173.4289 64 I 4.5947 8.5594 129.2146 59.5826 39.4409 174.7268 65 V 4.8400 9.2155 127.6316 61.2792 34.3541 173.3309 66 Y 5.2507 9.3155 130.2374 56.2876 40.9133 174.5338 67 T 4.4982 7.9256 124.1320 63.1029 68.9847 175.9070 68 V 3.7195 8.5031 128.2206 65.6359 32.1970 175.9131 69 Q 4.5148 8.0994 116.1227 56.1703 31.8651 174.7900 70 G 4.4116 9.1955 107.6956 45.4954 0.0000 172.0555 71 S 5.2227 8.2625 112.6831 56.6910 67.2909 173.6407 72 W 5.5551 8.2459 119.3888 56.0708 32.2318 172.8191 73 R 4.2101 9.1038 115.5895 55.8538 32.8162 172.9713 74 Y 5.2731 7.3793 116.4320 56.1514 39.6588 177.7725 75 K 3.9932 8.7289 123.1704 59.3531 32.0851 178.2308 76 E 4.1331 8.1637 116.9805 57.6352 29.9150 175.7093 77 H 4.7217 7.6765 117.1738 54.6232 31.7764 173.8567 78 D 4.6665 8.5277 119.4264 52.7777 39.8965 177.1583 79 W 4.9389 6.9539 115.6718 55.5335 30.6510 175.0220 80 V 4.4108 8.2742 118.1983 60.9861 33.7230 174.4192 81 A 4.1320 8.4068 130.4080 51.4527 19.9575 176.5565 82 H 4.9366 7.9998 120.2085 53.7313 31.9987 174.6295 83 A 4.2211 7.7714 123.5401 54.0253 18.3681 178.3593 84 G 4.0053 8.7627 111.9136 44.9371 0.0000 173.5122 85 S 4.6978 7.5605 114.6144 57.2127 65.6792 173.2668 86 V 4.9682 8.1083 119.3639 61.2156 34.0511 174.4164 87 V 4.2610 9.2081 128.1826 61.2358 34.1075 173.6810 88 Y 5.0354 8.5926 128.4547 55.8096 40.4506 174.1357 89 E 4.5666 9.2587 127.7470 56.1638 30.9147 176.6033 90 T 4.9768 8.5435 113.7263 59.7234 71.2759 174.0972 91 A 4.2991 8.6835 123.5729 52.1840 19.0434 177.4351 92 S 3.5797 7.9404 114.0925 60.2014 61.4295 172.3736 93 T 4.6929 7.3346 107.7191 59.8956 72.5029 173.4930 94 R 5.0308 8.2136 121.1389 54.9258 32.4625 175.2612 95 H 4.9025 8.7364 119.1875 54.0033 33.9645 172.7675 96 T 4.9152 8.5296 118.9379 60.9539 69.5269 171.5073 97 P 5.2052 0.0000 0.0000 62.9686 32.6068 175.5598 98 Q 4.6133 8.8333 118.2663 55.1070 32.2908 173.3017 99 S 4.4092 8.5249 115.1524 58.3802 62.7615 173.9323 100 A 4.3565 8.1647 127.6264 53.4019 18.6237 176.9963 101 Y 4.8321 7.0456 112.2354 55.0652 41.1058 176.1924 102 A 4.1284 8.7465 124.7144 54.7138 18.8999 177.7831 103 E 4.8000 7.7541 112.1057 54.2219 32.4266 175.8611 104 G 3.5184 8.5540 108.1126 44.3307 0.0000 170.0649 105 P 4.3980 0.0000 0.0000 63.0730 31.5895 175.6630 106 D 4.6299 8.4281 119.7001 54.5253 41.9362 175.9157 107 I 4.4308 8.9077 123.7316 60.8092 38.5997 174.8125 108 I 5.1332 8.7233 128.7301 59.6427 39.9800 175.0079 109 T 5.1000 8.8392 116.2921 59.9446 72.5957 172.5041 110 F 5.2675 9.7504 127.4984 57.1769 40.9720 174.0224 111 N 5.3500 8.8416 124.0422 51.4130 42.1700 174.0032 112 I 4.6036 8.4606 122.9056 59.6311 40.2888 174.2183 113 V 4.6297 8.6458 127.9234 60.9434 33.5667 174.0583 114 A 4.8971 9.2407 130.8001 51.8052 20.9857 176.9814 115 G 4.0230 9.5339 110.5504 44.4297 0.0000 172.0555 116 E 4.8214 8.6364 117.3405 55.0815 32.2034 175.9528 117 L 4.5183 8.9729 122.7794 53.2798 43.7909 176.0802 118 L 4.7714 8.8989 126.5555 53.4090 42.6238 176.0268 119 Y 4.5899 9.2540 123.3622 57.7413 39.0371 175.2220 120 L 5.3782 8.7106 122.7308 53.1347 45.6658 176.0516 121 D 4.7727 8.5960 121.2206 53.1159 42.4000 177.8440 122 D 4.3077 8.6889 122.1158 58.3709 40.7626 178.9285 123 K 4.1323 7.9192 116.1979 54.9537 31.4154 178.7324 124 D 4.6480 7.9107 116.5108 55.5723 40.5663 173.7443 125 N 4.5311 7.6866 115.0190 53.0371 39.2625 174.3758 126 I 4.4622 8.2501 123.2955 61.3148 37.4881 175.3036 127 I 4.3772 8.7835 119.7034 62.0888 38.9954 176.0166 128 A 4.9744 7.9351 122.8138 49.6178 22.9829 174.7916 129 V 4.9655 8.5370 118.4649 61.2080 34.7653 174.4640 130 E 5.0441 9.4775 127.4308 54.8471 32.6945 175.0492 131 N 5.0573 9.2804 121.1539 51.6491 40.5722 174.8698 132 W 4.2759 9.0362 114.8739 59.8505 28.4585 177.6634 133 K 3.2215 6.9691 117.6587 59.0939 31.7538 178.3975 134 T 3.8978 8.4385 109.5306 64.7543 68.9769 176.6591 135 S 3.7891 8.1783 114.6005 59.5360 62.5314 175.4585 *137 D 4.4764 8.1813 122.2528 54.4910 42.7358 177.8732 138 R 3.8002 7.8716 118.5167 59.4818 30.0859 177.7586 139 Y 4.0502 7.8104 119.2623 60.9291 38.8035 178.2766 140 L 3.8927 7.8795 119.2500 57.6702 41.7961 179.1089 141 N 4.3250 8.6101 117.0931 56.3222 38.4442 176.8928 142 Y 4.0315 8.1168 120.9401 60.7924 38.6744 177.5866 143 C 4.0892 8.0535 119.9611 63.5605 28.0344 177.0766 144 K 3.9725 7.9044 123.4910 59.4801 31.3004 180.4956 145 A 4.2197 7.8311 120.5331 56.1339 18.6935 177.6972 146 H 4.7093 7.9539 113.4565 54.3580 32.9416 175.1165 147 G 4.0966 8.4841 107.6394 45.8744 0.0000 173.8076 148 I 4.2201 7.1110 120.3354 58.9644 38.4967 176.2140 149 R 4.0302 8.4945 126.7669 55.2083 30.2327 174.1810 150 P 4.4966 0.0000 0.0000 62.3865 32.3185 176.1181 151 K 4.3584 8.6010 120.2027 55.7298 33.0969 177.2070 152 D 4.5984 8.2380 121.3701 53.4044 39.8011 176.0534 153 L 4.0222 8.0630 127.2009 56.5388 42.4418 180.4027 154 S 4.2536 7.9862 115.2405 60.2175 62.3457 180.5667 155 T 4.3038 7.5148 109.3618 60.6734 70.0064 174.8055 156 F 4.5975 8.3306 121.5577 55.6291 38.6465 175.7934 157 E 4.3430 8.1685 124.4819 56.3600 29.4305 174.7416 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 8.03 4.37 0.00 1.59 1.74 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.20 4.25 0.00 3.30 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.52 3.67 0.00 1.64 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 1.65 1.47 0.00 5 S 7.71 4.43 0.00 3.65 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 6 I 7.03 4.43 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 2.18 0.97 0.00 0.00 7 N 8.42 4.78 0.00 2.69 2.68 0.00 0.00 7.20 7.70 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 8 T 8.66 4.06 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 9 G 8.68 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 0.00 0.00 0.00 0.00 10 C 8.26 4.53 0.00 2.91 2.79 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 11 L 8.48 4.64 0.00 1.66 1.76 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.60 4.66 0.00 2.84 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 13 G 8.94 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 14 N 8.06 4.92 0.00 2.86 2.97 0.00 0.00 5.84 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 15 D 7.98 4.91 0.00 2.82 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 16 T 7.40 4.57 4.04 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 0.49 0.00 0.00 17 P 0.00 4.49 0.00 2.12 2.14 0.00 3.96 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.11 0.00 18 W 8.29 4.26 0.00 3.29 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 *20 P 0.00 4.41 0.00 2.29 2.18 0.00 3.90 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 2.01 2.09 0.00 21 F 8.74 4.32 0.00 3.28 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 22 A 7.58 4.49 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.65 0.00 1.98 1.97 0.00 2.62 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.66 0.00 24 Y 7.73 4.47 0.00 3.11 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 25 S 8.34 4.70 0.00 3.82 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 26 N 8.73 4.78 0.00 2.75 2.84 0.00 0.00 7.07 8.47 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 27 D 8.08 4.47 0.00 2.69 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 28 V 7.77 4.39 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 0.93 0.00 0.00 0.86 0.00 0.00 *30 V 8.03 4.45 2.32 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 0.64 0.00 0.00 0.36 0.00 0.00 31 K 8.24 4.20 0.00 0.79 0.74 0.00 1.04 0.00 0.00 1.07 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.66 7.81 32 Y 8.31 4.56 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.06 4.55 0.00 3.10 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 34 K 7.84 4.47 0.00 1.88 1.61 0.00 1.39 0.00 0.00 1.79 0.00 0.00 2.67 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.40 1.24 7.81 35 I 8.33 5.22 1.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 1.07 0.00 0.00 36 D 9.53 4.57 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 2.97 0.00 1.01 0.49 0.00 3.55 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 38 V 7.29 3.57 2.17 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 0.75 0.00 0.00 0.88 0.00 0.00 39 R 7.94 4.09 0.00 2.02 1.97 0.00 3.29 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 40 G 7.89 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 0.00 0.00 0.00 41 E 8.30 5.35 0.00 2.09 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 2.22 2.24 0.00 42 T 8.98 5.22 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 43 I 8.62 4.95 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.85 0.00 0.00 44 T 8.69 5.30 4.13 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 1.12 0.00 0.00 45 L 8.56 5.30 0.00 1.43 1.80 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.02 5.09 0.00 1.73 1.48 0.97 0.04 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 47 K 9.07 5.07 0.00 1.44 1.28 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.24 7.81 48 A 8.90 4.75 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 49 P 0.00 4.85 0.00 2.08 2.05 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 50 A 8.65 3.91 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 51 G 8.06 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 *53 E 8.19 4.01 0.00 2.03 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 2.13 1.88 0.00 *55 P 0.00 4.28 0.00 2.34 2.09 0.00 3.66 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.69 0.00 56 R 8.31 4.43 0.00 1.92 1.84 0.00 3.06 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 57 H 8.99 5.20 0.00 2.58 2.77 0.00 5.29 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.23 5.12 0.00 3.18 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.54 5.42 0.00 3.27 3.10 0.00 5.83 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.59 3.95 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 1.23 0.00 0.00 61 G 7.68 4.54 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 0.00 62 T 8.51 5.08 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 1.32 0.00 0.00 63 V 8.10 4.67 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 0.98 0.00 0.00 0.76 0.00 0.00 64 I 8.56 4.59 1.80 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 0.72 0.16 1.01 0.00 0.00 65 V 9.22 4.84 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.06 0.00 0.00 66 Y 9.32 5.25 0.00 3.25 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 67 T 7.93 4.50 4.29 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 1.43 0.00 0.00 68 V 8.50 3.72 2.20 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 0.88 0.00 0.00 1.17 0.00 0.00 69 Q 8.10 4.51 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.30 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 70 G 9.20 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.26 5.22 0.00 3.89 3.66 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 72 W 8.25 5.56 0.00 3.46 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 73 R 9.10 4.21 0.00 1.55 1.80 0.00 2.62 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 74 Y 7.38 5.27 0.00 2.75 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 75 K 8.73 3.99 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 76 E 8.16 4.13 0.00 1.98 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 2.28 2.31 0.00 77 H 7.68 4.72 0.00 2.28 2.50 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.53 4.67 0.00 2.69 2.54 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 79 W 6.95 4.94 0.00 3.38 3.06 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 0.00 80 V 8.27 4.41 1.99 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 0.63 0.00 0.00 0.87 0.00 0.00 81 A 8.41 4.13 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.00 4.94 0.00 3.26 3.24 0.00 5.82 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 83 A 7.77 4.22 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 84 G 8.76 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 85 S 7.56 4.70 0.00 3.83 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 86 V 8.11 4.97 2.15 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 0.95 0.00 0.00 1.15 0.00 0.00 87 V 9.21 4.26 2.38 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 1.11 0.00 0.00 0.67 0.00 0.00 88 Y 8.59 5.04 0.00 3.01 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 89 E 9.26 4.57 0.00 1.98 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 2.48 2.41 0.00 90 T 8.54 4.98 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 1.39 0.00 0.00 91 A 8.68 4.30 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 92 S 7.94 3.58 0.00 3.99 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 93 T 7.33 4.69 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 1.34 0.00 0.00 94 R 8.21 5.03 0.00 1.58 1.76 0.00 3.17 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 95 H 8.74 4.90 0.00 2.60 2.45 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.53 4.92 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 1.23 0.00 0.00 97 P 0.00 5.21 0.00 1.97 2.17 0.00 4.05 0.00 0.00 3.97 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 Q 8.83 4.61 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 99 S 8.52 4.41 0.00 3.77 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 0.00 100 A 8.16 4.36 1.22 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 0.00 0.00 101 Y 7.05 4.83 0.00 3.15 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 0.00 102 A 8.75 4.13 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 0.00 103 E 7.75 4.80 0.00 2.06 1.92 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 2.22 2.30 0.00 104 G 8.55 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.40 0.00 2.29 2.11 0.00 3.33 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 106 D 8.43 4.63 0.00 2.57 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.91 4.43 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.87 0.00 0.00 108 I 8.72 5.13 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.24 1.17 0.00 0.00 109 T 8.84 5.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 110 F 9.75 5.27 0.00 3.21 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 0.00 111 N 8.84 5.35 0.00 2.45 2.53 0.00 0.00 6.33 7.15 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 0.00 112 I 8.46 4.60 1.76 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.36 0.88 0.00 0.00 113 V 8.65 4.63 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 0.91 0.00 0.00 0.85 0.00 0.00 114 A 9.24 4.90 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 0.00 115 G 9.53 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 0.00 116 E 8.64 4.82 0.00 1.94 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 2.32 2.33 0.00 117 L 8.97 4.52 0.00 1.45 1.00 0.90 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.90 4.77 0.00 1.61 1.60 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 9.25 4.59 0.00 2.92 2.83 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 0.00 120 L 8.71 5.38 0.00 1.49 1.54 0.98 1.26 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 0.00 121 D 8.60 4.77 0.00 2.85 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 0.00 122 D 8.69 4.31 0.00 2.67 2.73 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 0.00 0.00 0.00 123 K 7.92 4.13 0.00 1.77 1.70 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 0.99 7.81 124 D 7.91 4.65 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 7.69 4.53 0.00 2.88 2.72 0.00 0.00 7.08 7.47 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 0.00 126 I 8.25 4.46 1.88 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 0.45 0.94 0.00 0.00 127 I 8.78 4.38 1.91 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 1.40 0.64 0.98 0.00 0.00 128 A 7.94 4.97 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 0.00 129 V 8.54 4.97 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 0.93 0.00 0.00 0.98 0.00 0.00 130 E 9.48 5.04 0.00 2.24 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 0.00 2.61 2.92 0.00 131 N 9.28 5.06 0.00 2.74 2.92 0.00 0.00 6.38 8.86 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 0.00 132 W 9.04 4.28 0.00 3.51 3.28 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 0.00 133 K 6.97 3.22 0.00 1.36 1.36 0.00 1.34 0.00 0.00 1.36 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 T 8.44 3.90 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 1.30 0.00 0.00 135 S 8.18 3.79 0.00 4.04 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 *137 D 8.18 4.48 0.00 2.78 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 0.00 138 R 7.87 3.80 0.00 1.84 1.99 0.00 3.06 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 139 Y 7.81 4.05 0.00 2.72 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 0.00 140 L 7.88 3.89 0.00 1.72 1.67 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.61 4.33 0.00 2.72 2.85 0.00 0.00 6.60 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 0.00 142 Y 8.12 4.03 0.00 2.98 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 0.00 143 C 8.05 4.09 0.00 2.96 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 0.00 144 K 7.90 3.97 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 145 A 7.83 4.22 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 0.00 146 H 7.95 4.71 0.00 2.86 3.14 0.00 5.82 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.48 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 0.00 148 I 7.11 4.22 1.83 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 1.19 0.62 0.91 0.00 0.00 149 R 8.49 4.03 0.00 2.03 1.86 0.00 3.35 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.00 150 P 0.00 4.50 0.00 2.30 1.86 0.00 3.80 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 2.00 1.95 0.00 151 K 8.60 4.36 0.00 1.88 1.79 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.43 7.81 152 D 8.24 4.60 0.00 2.61 2.57 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 0.00 0.00 0.00 0.00 153 L 8.06 4.02 0.00 1.47 1.45 0.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 154 S 7.99 4.25 0.00 3.59 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 0.00 155 T 7.51 4.30 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 1.21 0.00 0.00 156 F 8.33 4.60 0.00 3.16 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 0.00 157 E 8.17 4.34 0.00 1.90 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 2.20 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.