NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5002 K 4.3871 8.3149 122.1459 53.7097 34.1664 175.1841 5003 L 4.7323 7.6916 117.2118 51.9849 45.0594 173.7953 5004 S 4.8524 9.0033 116.3684 55.6523 67.1231 172.1451 5005 P 4.2732 0.0000 0.0000 63.2614 31.6687 176.2589 5006 G 4.3053 7.5739 109.1046 44.2838 0.0000 176.0965 5007 K 4.0747 8.7119 124.0065 56.6455 32.2834 176.6194 5008 N 4.9197 7.9676 113.0312 53.1854 38.9693 174.2881 5009 A 4.3724 7.5923 121.4831 52.1334 18.7691 176.5736 5010 P 4.7162 0.0000 0.0000 62.7355 31.9651 176.6120 5011 D 4.4621 7.8969 120.2323 57.1842 40.8927 177.0766 5012 V 4.6697 7.4558 117.6276 61.4622 34.3854 174.7980 5013 V 4.7984 8.6037 120.0140 59.4828 36.1887 174.4219 5014 N 4.9485 9.0184 120.4540 52.9100 40.1860 174.5809 5015 V 4.2758 8.4172 122.3073 60.9120 34.8568 173.9017 5016 L 4.4536 7.8962 130.7978 53.7204 43.0042 175.7756 5017 V 3.8889 8.8081 128.1965 63.3256 32.1402 175.6505 5018 E 4.5224 9.5933 126.7377 57.3898 31.8984 176.3130 5019 I 4.5913 7.6435 121.4759 58.4612 39.9569 173.6627 5020 P 4.7810 0.0000 0.0000 62.2253 32.6064 175.9306 5021 Q 4.2425 8.3170 122.9760 57.1478 29.4198 176.9141 5022 G 3.9457 8.9771 113.3406 45.2568 0.0000 173.9466 5023 S 4.4241 7.6888 114.5771 58.1385 63.7581 173.8117 5024 N 5.3554 8.7772 120.2831 52.4014 39.1494 172.8413 5025 I 4.5512 7.8692 120.1841 59.7544 39.7324 175.5758 5026 K 4.1776 9.1644 130.0531 55.8465 32.1148 175.4293 5027 Y 4.9684 8.3125 124.6803 57.3954 39.5750 174.7696 5028 E 4.8721 9.4321 122.2735 54.8965 33.6527 173.3403 5029 Y 4.7306 9.6436 128.8883 56.9983 40.1289 174.1699 5030 D 4.6200 8.4811 127.9115 52.3194 41.6774 176.3241 5031 D 4.5851 8.6873 126.8250 56.3281 39.0235 177.4274 5032 E 3.9621 7.6004 118.5206 59.3462 29.8881 177.8862 5033 E 3.9593 8.6877 122.4555 57.6480 29.9546 177.8751 5034 G 3.8093 8.2517 106.7112 46.5729 0.0000 173.3298 5035 V 4.5732 7.0584 110.5683 59.1416 36.7675 174.7453 5036 I 4.7448 8.3450 122.6398 60.3742 37.7945 175.4195 5037 K 4.5646 9.4186 129.6041 54.7437 34.6555 175.8316 5038 V 4.0332 8.3298 126.3624 62.2630 30.9791 175.2501 5039 D 4.6075 8.9240 128.9225 56.2715 41.4519 176.1882 5040 R 4.4528 7.5073 111.8926 55.5982 32.4717 173.1862 5041 V 4.4867 8.4905 120.5886 61.7738 32.3665 175.0524 5042 L 3.8502 8.2214 127.0137 54.9428 41.0960 177.8205 5043 Y 4.3851 8.9559 121.7915 59.8727 38.4487 175.7225 5044 T 4.5576 7.6391 109.9081 59.9695 71.5837 174.3869 5045 S 4.6241 8.2804 117.7035 58.0273 61.1590 171.7049 5046 M 5.0079 7.4453 120.3797 53.7445 36.2088 174.9171 5047 N 5.0909 8.1984 115.1952 51.3794 40.2952 173.9162 5048 Y 2.3900 8.8540 119.0471 57.7118 37.9489 175.0345 5049 P 4.4610 0.0000 0.0000 62.2439 31.1619 175.2797 5050 F 4.6395 6.3913 111.9359 56.9714 40.7874 172.0598 5051 N 5.0589 8.8117 117.7981 53.1064 39.8220 173.7699 5052 Y 5.1511 8.7878 125.2085 56.3328 41.9086 175.1544 5053 G 4.2506 7.4011 110.1135 46.7880 0.0000 171.7594 5054 F 5.3782 7.5689 113.0907 55.0198 42.0397 174.0457 5055 I 4.7141 8.7854 121.6802 59.0419 37.1611 174.4163 5056 P 4.5010 0.0000 0.0000 63.5408 32.0387 176.3418 5057 G 3.9256 9.0700 108.9692 46.5944 0.0000 173.0842 5058 T 4.9841 7.6921 107.8013 59.5269 72.8459 172.2281 5059 L 5.0698 8.9363 124.3331 53.8339 45.8812 175.3742 5060 E 4.9046 9.0736 125.6628 54.4645 32.0108 176.9482 5061 E 3.9394 8.8962 120.0237 59.2380 29.5228 177.9267 5062 D 4.5699 8.1040 116.5969 52.9344 39.6010 177.4171 5063 G 3.9184 8.2516 107.6735 46.0012 0.0000 173.4078 5064 D 4.9472 8.0631 119.3865 51.4109 43.4725 174.2635 5065 P 5.2875 0.0000 0.0000 61.6960 32.2067 175.9254 5066 L 4.2320 8.5343 122.7946 55.2385 43.0519 176.2235 5067 D 5.0624 8.6943 125.6677 54.1228 42.9352 175.3290 5068 V 4.6939 8.4188 120.0439 61.3495 35.6217 174.3370 5069 L 4.2881 8.9638 128.1489 53.0537 42.7036 175.2894 5070 V 4.2348 8.7985 125.8565 62.1553 32.6577 174.7524 5071 I 4.6055 8.5333 130.6200 60.2677 37.9219 175.4201 5072 T 4.2388 8.0200 116.3030 60.5607 71.4984 172.7587 5073 N 5.0477 7.9396 117.1988 51.8377 37.6835 173.5508 5074 Y 4.8209 6.5001 111.4124 57.2444 41.1278 173.4981 5075 Q 4.7051 8.4940 118.6579 54.7515 30.6205 174.8350 5076 L 4.8344 8.1788 118.6225 53.0040 44.8711 175.7421 5077 Y 4.1796 8.3141 117.9349 56.5584 38.7369 173.7914 5078 P 4.4746 0.0000 0.0000 64.5234 31.7123 176.8103 5079 G 3.9550 9.7572 112.8760 44.9207 0.0000 173.2299 5080 S 4.7091 7.9082 114.7489 57.0446 65.5321 173.1907 5081 V 4.7758 8.1401 120.7835 61.2987 33.4155 174.6009 5082 I 4.6768 8.5203 126.6301 59.2414 42.0118 173.5285 5083 E 4.9598 8.6680 127.1032 55.4517 31.1045 175.7225 5084 V 4.9006 8.6764 117.3934 59.5310 36.3523 174.7079 5085 R 4.9536 8.8689 120.7562 53.8147 32.2841 174.2066 5086 P 4.8577 0.0000 0.0000 62.5936 31.9474 176.4030 5087 I 4.3860 9.0091 116.1583 60.1960 39.6941 175.0542 5088 G 4.2015 7.3831 108.2510 46.8699 0.0000 171.5771 5089 I 4.9541 7.8278 118.0685 59.2969 42.0513 173.8793 5090 L 4.4078 8.5954 130.1749 53.2714 44.5678 174.4349 5091 Y 5.0905 8.6208 124.8514 56.9178 40.0128 174.7328 5092 M 5.1815 9.0535 120.4352 54.1757 35.7720 173.2625 5093 K 5.0347 9.2176 120.3045 54.8654 35.9552 174.6984 5094 D 5.0083 9.0048 126.6587 50.1302 42.4826 175.8925 5095 E 3.8858 8.0589 115.0233 59.2415 29.4328 177.6915 5096 E 4.2048 8.5878 117.9676 56.8223 30.9655 176.1189 5097 G 3.7883 7.2208 107.1963 44.2885 0.0000 172.6471 5098 E 4.6277 8.4310 125.8481 56.4950 30.7872 176.1897 5099 D 4.7951 8.8314 122.3757 53.3306 45.2928 173.8457 5100 A 5.0912 8.4370 124.5270 50.1350 22.5421 175.4654 5101 K 4.4913 8.5936 120.5148 54.2740 35.9151 176.1526 5102 I 4.1846 8.5135 126.1637 61.3094 38.6950 175.0504 5103 V 4.7204 8.6072 125.6975 61.1718 33.8884 174.3663 5104 A 5.0825 8.8470 128.0695 50.6824 23.3873 174.7538 5105 V 4.4134 8.0522 110.9698 58.3807 35.7782 173.9855 5106 P 4.8058 0.0000 0.0000 62.2038 32.0934 176.9014 5107 K 4.1196 9.0043 122.4811 56.8257 33.6544 177.5329 5108 D 4.4719 9.0575 121.4980 58.1299 40.5219 179.9193 5109 K 4.1430 7.9996 116.4731 59.6239 32.1079 179.1448 5110 T 4.3443 7.8396 115.6430 65.5386 69.2611 174.6226 5111 D 4.6305 7.7718 120.0405 52.5927 42.0597 173.4732 5112 P 4.5541 0.0000 0.0000 63.8725 31.4453 178.1554 5113 S 4.4510 8.2017 113.2932 59.0343 63.3341 174.4754 5114 F 4.7961 7.8995 119.4245 57.5693 39.3971 177.4401 5115 S 4.4023 7.7583 118.4657 61.3176 62.6568 175.4264 5116 N 4.4561 8.0508 116.1722 54.4958 37.5905 175.4039 5117 I 4.1188 7.3729 119.9283 60.5004 35.7661 175.1150 5118 K 4.4064 9.5557 125.0179 56.5693 33.5960 176.2813 5119 D 4.8942 7.8318 116.6874 52.1408 44.4537 175.1644 5120 I 3.7255 8.3313 122.8934 64.2376 37.8536 177.0259 5121 N 4.5871 7.9472 114.7111 54.0857 38.4593 175.3764 5122 D 4.5565 8.1963 118.4163 55.1817 41.5058 176.7908 5123 L 4.2849 7.1945 119.9995 53.0802 42.7200 175.1824 5124 P 4.3358 0.0000 0.0000 62.5349 32.1891 177.1125 5125 Q 3.8993 8.8586 122.0623 59.4701 28.8612 178.7747 5126 A 4.0059 8.0133 121.1055 55.6334 18.3926 179.6296 5127 T 3.9072 7.7494 113.6701 66.6019 68.4153 177.2169 5128 K 4.1134 7.9367 119.9658 59.6180 32.0840 178.9465 5129 N 4.4832 8.4989 116.9572 56.1654 38.3956 177.3786 5130 K 4.0056 8.2216 120.9803 59.6018 32.3859 178.9206 5131 I 3.9304 8.0179 120.0587 64.4697 37.1972 178.5387 5132 V 3.7795 8.4569 119.2931 66.5264 31.5053 177.4355 5133 H 4.2510 8.7955 118.2812 59.2115 29.6373 176.7540 5134 F 4.2058 8.6092 122.4913 61.5760 39.0285 177.1277 5135 F 3.9830 7.9922 115.8466 60.4081 38.8374 176.8098 5136 E 4.4760 8.0786 115.2789 57.6003 29.3289 176.7711 5137 H 4.8497 7.7896 113.1604 55.1676 31.1727 174.9576 5138 Y 4.1507 7.9936 116.3526 58.1695 38.0125 176.7079 5139 K 3.8938 7.0903 118.1353 55.7020 33.4228 177.6259 5140 E 3.8400 7.6079 118.6898 59.7020 29.2908 178.8420 5141 L 4.1936 7.7781 114.5968 56.0010 42.1905 176.7371 5142 E 4.3410 8.4762 121.2443 53.9797 30.1427 173.7598 5143 P 4.2907 0.0000 0.0000 64.5399 31.1378 176.5654 5144 G 3.9013 9.1237 113.4763 45.8468 0.0000 173.0575 5145 K 4.9262 7.3257 122.1490 53.8311 34.3515 179.9210 5146 Y 4.7503 8.2945 118.3815 56.4812 41.6343 173.2950 5147 V 4.8055 8.4815 121.7455 62.0123 35.1323 174.8306 5148 K 4.7021 9.2811 130.2129 53.4322 35.6456 173.7870 5149 I 4.1771 8.7383 127.2937 60.6163 37.1749 176.4136 5150 S 4.2135 9.3946 124.8629 59.8284 63.3893 174.6739 5151 G 4.0085 7.1353 103.3931 46.5251 0.0000 170.9273 5152 W 5.3848 9.0878 119.1061 55.0812 31.7827 175.9880 5153 G 4.5830 9.2443 108.6481 44.3947 0.0000 172.8387 5154 S 4.9003 8.8048 115.3671 56.9276 64.6750 175.1050 5155 A 3.9869 9.3836 122.6916 55.6618 17.8022 180.0325 5156 T 3.8212 7.9009 113.6895 66.6274 68.5767 176.1237 5157 E 3.9127 7.9784 120.9298 59.3666 29.7124 178.6036 5158 A 3.9597 8.1128 120.6782 55.3441 18.5193 179.7119 5159 K 3.9341 8.4969 117.1913 59.5554 32.0035 179.4560 5160 N 4.3123 7.9300 116.5170 56.3268 38.5249 177.2086 5161 R 3.9050 7.8967 120.0536 59.7858 30.0704 178.5714 5162 I 3.7271 7.8001 119.3851 64.2505 36.9968 178.4058 5163 Q 3.9783 7.9109 118.7225 58.9356 28.5236 178.8909 5164 L 3.9341 8.0706 119.5768 57.9516 41.7072 179.2856 5165 A 4.4670 8.0249 121.9397 54.6951 18.1676 179.8351 5166 I 3.7550 7.7571 118.0971 64.2450 37.0697 178.5687 5167 K 3.9635 7.9922 118.3129 59.6914 32.0065 178.8677 5168 R 4.0466 7.9966 117.2316 59.4803 30.0746 178.7969 5169 V 3.8248 7.6130 115.7559 65.8723 31.9275 177.3504 5170 S 4.3922 8.4219 113.7027 60.3225 63.2793 174.5429 *5171 G 3.7279 7.7945 114.1766 45.8542 0.0000 172.2930 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 5002 K 8.31 4.39 0.00 1.79 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 5003 L 7.69 4.73 0.00 1.63 1.50 0.80 0.45 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 5004 S 9.00 4.85 0.00 3.92 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 5005 P 0.00 4.27 0.00 2.19 2.13 0.00 3.57 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 2.11 2.34 0.00 5006 G 7.57 4.31 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 0.00 5007 K 8.71 4.07 0.00 1.79 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.03 7.81 5008 N 7.97 4.92 0.00 2.79 2.80 0.00 0.00 7.05 8.14 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 5009 A 7.59 4.37 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 5010 P 0.00 4.72 0.00 2.21 2.15 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 5011 D 7.90 4.46 0.00 2.87 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 5012 V 7.46 4.67 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 0.81 0.00 0.00 0.92 0.00 0.00 5013 V 8.60 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 0.65 0.00 0.00 0.88 0.00 0.00 5014 N 9.02 4.95 0.00 2.65 2.62 0.00 0.00 6.70 7.71 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 5015 V 8.42 4.28 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 0.83 0.00 0.00 0.82 0.00 0.00 5016 L 7.90 4.45 0.00 1.18 0.44 0.29 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5017 V 8.81 3.89 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 0.87 0.00 0.00 0.89 0.00 0.00 5018 E 9.59 4.52 0.00 2.21 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 0.00 2.55 2.46 0.00 5019 I 7.64 4.59 1.60 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.32 0.00 0.00 5020 P 0.00 4.78 0.00 2.03 2.33 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.87 0.00 5021 Q 8.32 4.24 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 5022 G 8.98 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 5023 S 7.69 4.42 0.00 4.01 3.82 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 5024 N 8.78 5.36 0.00 2.98 3.00 0.00 0.00 5.84 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 5025 I 7.87 4.55 1.71 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 1.05 0.68 0.22 0.00 0.00 5026 K 9.16 4.18 0.00 1.91 1.82 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 5027 Y 8.31 4.97 0.00 3.11 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5028 E 9.43 4.87 0.00 2.04 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 2.29 2.38 0.00 5029 Y 9.64 4.73 0.00 3.22 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 5030 D 8.48 4.62 0.00 2.58 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 5031 D 8.69 4.59 0.00 2.90 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 5032 E 7.60 3.96 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 5033 E 8.69 3.96 0.00 1.90 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 2.36 2.40 0.00 5034 G 8.25 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 5035 V 7.06 4.57 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 0.73 0.00 0.00 0.88 0.00 0.00 5036 I 8.35 4.74 1.92 0.00 0.00 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 1.41 0.85 0.99 0.00 0.00 5037 K 9.42 4.56 0.00 1.80 1.68 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.38 7.81 5038 V 8.33 4.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.89 0.00 0.00 5039 D 8.92 4.61 0.00 2.75 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 5040 R 7.51 4.45 0.00 1.94 1.96 0.00 2.86 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 5041 V 8.49 4.49 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 0.86 0.00 0.00 0.91 0.00 0.00 5042 L 8.22 3.85 0.00 1.72 1.69 1.05 1.53 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 5043 Y 8.96 4.39 0.00 2.82 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 5044 T 7.64 4.56 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 1.29 0.00 0.00 5045 S 8.28 4.62 0.00 3.87 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 5046 M 7.45 5.01 0.00 2.15 2.05 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 2.53 2.54 0.00 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0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.84 0.00 0.00 5072 T 8.02 4.24 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 0.79 0.00 0.00 5073 N 7.94 5.05 0.00 2.90 2.96 0.00 0.00 5.76 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 5074 Y 6.50 4.82 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 5075 Q 8.49 4.71 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 5076 L 8.18 4.83 0.00 1.64 1.65 0.95 1.04 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 5077 Y 8.31 4.18 0.00 3.07 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5078 P 0.00 4.47 0.00 1.84 1.88 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 5079 G 9.76 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 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1.33 0.54 0.83 0.00 0.00 5121 N 7.95 4.59 0.00 2.67 2.79 0.00 0.00 7.02 9.28 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 5122 D 8.20 4.56 0.00 2.78 2.71 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 5123 L 7.19 4.28 0.00 1.54 1.49 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5124 P 0.00 4.34 0.00 2.16 1.96 0.00 3.60 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 2.12 2.07 0.00 5125 Q 8.86 3.90 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 5126 A 8.01 4.01 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 5127 T 7.75 3.91 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 1.26 0.00 0.00 5128 K 7.94 4.11 0.00 1.90 1.80 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.87 1.37 7.81 5129 N 8.50 4.48 0.00 2.94 2.96 0.00 0.00 6.70 7.93 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 5130 K 8.22 4.01 0.00 2.07 2.00 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 5131 I 8.02 3.93 2.46 0.00 0.00 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 1.79 1.05 1.40 0.00 0.00 5132 V 8.46 3.78 2.45 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 1.12 0.00 0.00 1.31 0.00 0.00 5133 H 8.80 4.25 0.00 3.40 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5134 F 8.61 4.21 0.00 3.09 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 5135 F 7.99 3.98 0.00 3.30 3.09 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 5136 E 8.08 4.48 0.00 1.91 1.87 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 2.38 2.65 0.00 5137 H 7.79 4.85 0.00 3.17 3.20 0.00 5.62 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 5138 Y 7.99 4.15 0.00 2.64 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 0.00 0.00 0.00 0.00 5139 K 7.09 3.89 0.00 1.30 1.44 0.00 1.35 0.00 0.00 1.45 0.00 0.00 2.64 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.45 0.21 7.81 5140 E 7.61 3.84 0.00 2.16 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 2.36 2.30 0.00 5141 L 7.78 4.19 0.00 1.75 1.85 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5142 E 8.48 4.34 0.00 1.82 1.62 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 1.54 1.88 0.00 5143 P 0.00 4.29 0.00 2.19 2.13 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 5144 G 9.12 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 0.00 0.00 0.00 5145 K 7.33 4.93 0.00 1.56 1.58 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.23 7.81 5146 Y 8.29 4.75 0.00 3.01 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 5147 V 8.48 4.81 2.33 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 0.77 0.00 0.00 0.89 0.00 0.00 5148 K 9.28 4.70 0.00 1.38 1.60 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.26 7.81 5149 I 8.74 4.18 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.73 0.00 0.00 5150 S 9.39 4.21 0.00 3.77 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 5151 G 7.14 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 5152 W 9.09 5.38 0.00 3.18 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 5153 G 9.24 4.58 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 0.00 0.00 0.00 5154 S 8.80 4.90 0.00 4.18 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5155 A 9.38 3.99 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 5156 T 7.90 3.82 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 5157 E 7.98 3.91 0.00 2.11 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 2.48 2.43 0.00 5158 A 8.11 3.96 1.38 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 0.00 0.00 0.00 5159 K 8.50 3.93 0.00 2.07 1.88 0.00 1.55 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.68 7.81 5160 N 7.93 4.31 0.00 3.01 2.88 0.00 0.00 6.56 8.97 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 5161 R 7.90 3.91 0.00 1.96 2.08 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 5162 I 7.80 3.73 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.90 0.00 0.00 5163 Q 7.91 3.98 0.00 2.33 2.15 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 2.49 2.55 0.00 5164 L 8.07 3.93 0.00 1.84 1.72 0.93 0.84 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 5165 A 8.02 4.47 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5166 I 7.76 3.76 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.91 0.00 0.00 5167 K 7.99 3.96 0.00 1.98 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 5168 R 8.00 4.05 0.00 1.92 2.03 0.00 3.39 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 5169 V 7.61 3.82 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 0.89 0.00 0.00 0.92 0.00 0.00 5170 S 8.42 4.39 0.00 3.83 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 *5171 G 7.79 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.