NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4852 8.3193 115.4143 57.9979 64.7889 174.6011 3 S 4.0859 8.4954 117.8480 60.0150 62.6955 172.3880 4 T 4.9196 7.7833 108.4089 59.3080 73.1885 174.2552 5 V 4.4721 8.7446 121.8781 60.9514 34.2156 174.9029 6 S 4.8824 8.8608 124.3624 58.9295 63.5404 173.7032 7 T 4.9950 8.5379 114.2356 58.7771 71.1334 174.0405 8 L 4.0435 8.5176 119.7757 56.9004 41.9085 177.3517 9 Y 4.6760 9.3303 114.8534 56.4476 40.4896 176.2585 10 G 4.0315 6.8343 106.9469 46.0630 0.0000 170.6710 11 E 5.2121 8.5081 121.6104 54.7010 32.8440 175.9554 12 V 4.6873 8.7180 117.1986 59.1595 35.7689 175.0735 13 E 4.3328 8.7027 122.5241 55.8495 30.1318 176.3432 14 P 4.2760 0.0000 0.0000 65.8791 31.4436 179.0307 15 S 4.1069 8.1073 112.5555 61.4292 62.7093 176.3155 16 L 3.9902 8.0155 123.8432 57.8546 41.7791 178.8750 17 L 3.9470 7.8686 118.5728 57.6993 41.3696 178.8781 18 E 3.9173 8.2605 118.7343 59.2479 29.7991 178.6631 19 I 3.8354 7.7729 119.5238 64.3719 37.1153 178.2686 20 A 3.9774 8.1094 121.7224 54.9908 17.9358 179.5541 21 K 3.9041 8.1322 117.6058 59.5514 32.3227 178.4637 22 Q 4.2844 7.7313 116.1793 56.1139 29.0474 176.4101 23 I 3.9359 7.0149 121.4817 61.8575 37.5582 175.7400 24 K 4.5764 9.2728 124.1122 56.2814 34.7040 175.7985 25 L 5.1219 7.7485 122.1472 53.2584 45.8918 174.1572 26 L 5.0470 9.1850 128.5974 53.4471 44.6733 174.7369 27 I 4.9658 8.7953 127.9413 59.9041 39.5891 174.5811 28 C 4.8576 8.8158 124.1008 57.4999 32.0922 173.5054 29 D 4.9561 8.3236 122.5647 54.3269 42.1477 175.6418 30 V 4.3537 8.5941 119.8472 64.7407 32.7171 174.9263 31 D 4.6823 7.8093 120.2247 55.6229 41.4853 177.0540 32 G 4.1249 9.3368 113.1318 45.3125 0.0000 173.5039 33 V 4.1002 7.5207 116.4658 64.5323 34.0343 177.6166 34 F 4.3095 8.0512 117.7557 59.2084 39.3433 175.3477 35 S 5.1302 7.7897 114.0441 56.1104 65.6575 173.4992 36 D 4.9108 7.9702 116.7578 52.8097 38.9856 177.5063 37 G 3.9590 8.3032 108.6310 45.4934 0.0000 174.0494 38 L 4.2009 7.3737 119.4315 53.9951 42.5212 176.0305 39 I 4.4963 7.9337 122.5338 59.9422 39.3294 175.1380 40 Y 4.3206 8.7942 125.1122 56.6295 40.7181 174.7083 *42 G 4.1705 8.3030 107.0504 46.0913 0.0000 173.7089 43 N 4.6868 8.9255 116.3746 54.4827 37.6668 175.7945 44 Q 4.4816 8.5064 117.9486 55.7554 29.0909 176.5626 45 G 3.9538 8.2075 105.3190 45.3464 0.0000 174.5509 46 E 4.1025 7.9269 118.3595 56.7272 30.0371 175.8788 47 E 5.0019 8.4970 121.2997 54.6461 32.7790 174.4847 48 L 4.9853 9.1610 126.1097 53.0624 45.4821 175.1954 49 K 5.0513 8.4014 120.5452 55.3209 35.3952 175.3032 50 T 4.5770 8.3744 114.9994 60.0049 70.8494 173.7820 51 F 5.1345 8.4254 120.5855 56.0337 42.9771 173.6449 52 H 4.9351 8.7401 121.8742 54.3308 32.0116 175.4194 53 T 3.9927 8.4719 117.1759 65.3055 68.4217 176.7547 54 R 4.1525 8.3503 120.1183 58.9129 30.0834 178.5133 55 D 4.6239 8.3575 119.0529 57.1300 40.8030 178.8753 56 G 3.6903 8.2678 105.9211 48.0161 0.0000 174.8720 57 Y 4.1324 8.1579 121.9901 60.3191 38.8305 178.4888 58 G 3.6504 8.1263 106.2247 47.8146 0.0000 175.8623 59 V 3.6660 7.9299 119.9780 65.6854 31.6493 177.9240 60 K 4.0326 7.8613 116.9422 59.3166 32.0237 178.8483 61 A 4.0581 7.7522 121.0134 54.9221 18.3058 180.3799 62 L 4.2058 7.7792 114.6644 55.6582 41.2848 178.9242 *64 N 4.5862 8.1825 118.1722 53.2186 40.3322 175.2841 65 A 4.1708 7.6203 118.4281 52.4793 18.7568 178.0291 66 G 3.9585 8.3047 104.2464 44.8312 0.0000 173.3773 67 I 4.3445 7.2328 120.6188 60.3595 38.0875 175.8271 68 E 4.3377 9.0138 126.6368 56.2626 30.8507 175.7602 69 I 5.1474 8.3462 122.7557 59.5755 40.2167 174.7092 70 A 5.1082 9.0080 126.9537 50.2413 23.1439 174.6324 71 I 5.1077 8.7930 119.6895 59.6016 40.8835 175.0016 72 I 5.1299 8.8223 126.3989 59.9726 40.6418 174.3564 73 T 4.8178 9.2905 121.7804 60.3739 70.6306 174.9211 74 G 3.8844 8.8899 115.2059 47.5304 0.0000 174.2979 75 R 4.5213 7.4960 118.2120 55.1605 31.3527 175.2548 76 R 5.0433 8.2159 118.4552 54.0730 32.6675 174.7581 77 S 4.7380 9.3653 119.6714 55.7988 67.5387 174.8264 78 Q 3.9403 8.7309 123.8803 59.3181 28.7043 178.5808 79 I 3.7219 7.8930 120.5604 64.6876 36.9617 178.2797 80 V 3.6285 7.5986 117.1902 65.8803 31.4323 177.4079 81 E 4.0695 7.6448 117.3930 59.6119 29.6617 178.9272 82 N 4.4764 8.4159 116.6112 56.1814 38.6516 177.8560 83 R 3.6668 7.7355 116.5264 56.9881 29.6484 177.6952 *85 K 4.0775 8.0152 120.0237 55.8917 33.9224 177.5126 86 A 3.9590 7.8937 120.5237 55.2086 18.2418 178.4812 87 L 4.0202 7.5870 113.4368 55.6027 41.9188 178.1463 88 G 3.8305 7.9696 106.7166 45.6189 0.0000 173.2079 89 I 4.0953 7.5077 120.5909 60.3840 37.6378 175.7609 90 S 4.5795 8.5575 119.0728 58.5910 64.8735 174.6443 91 L 4.4093 7.6465 121.9697 53.4652 40.7523 173.7484 92 I 4.7076 7.7642 120.9873 59.5684 39.9146 174.4410 93 Y 4.4608 9.2207 126.5651 56.5957 39.4613 175.3474 94 Q 4.9177 8.6367 122.7181 54.1484 32.2651 175.6584 95 G 3.9638 8.7781 106.7521 46.5791 0.0000 174.1012 96 Q 4.4083 8.1535 120.1951 54.3649 28.5430 176.7165 97 D 4.1850 8.8353 124.0000 56.8674 40.5170 177.0171 98 D 4.6798 7.8302 122.5791 51.7990 39.2318 177.0472 99 K 4.1509 8.4113 125.4656 58.8914 31.9780 179.3964 100 V 3.3317 7.1436 119.6700 65.7130 31.3651 177.7662 101 Q 3.9492 8.5098 119.2672 59.0289 28.8438 177.9936 102 A 3.7793 7.8808 121.3230 55.1602 18.4064 178.6118 103 Y 3.9095 7.8784 117.9488 61.2245 38.7864 178.1084 104 Y 4.0843 7.8128 117.6511 61.0332 37.8401 178.2237 105 D 4.3043 8.1029 118.9678 57.2812 41.4132 178.3847 106 I 3.6318 7.6089 120.4602 64.3985 37.0425 177.7172 107 C 3.8435 7.8658 119.8892 62.7268 31.0681 175.5527 108 Q 3.9062 7.8890 119.5150 59.1130 28.6668 178.0230 109 K 4.1422 8.2057 118.9676 58.5582 32.1772 178.3213 110 L 4.4678 7.7957 116.3242 53.0976 43.2315 176.0381 111 A 3.7903 8.0167 120.8555 53.2893 16.6694 176.9140 112 I 4.4047 7.5838 119.3861 60.2400 39.7154 176.3826 113 A 4.3451 8.3670 127.9889 50.9544 19.3213 176.4338 114 P 4.4304 0.0000 0.0000 65.6778 31.4481 178.4753 115 E 4.1182 8.2458 115.4684 58.2948 29.8568 177.1122 116 Q 4.7227 8.1949 118.5760 55.8185 30.3615 174.8454 117 T 5.1278 8.1147 116.1978 61.7580 71.9618 173.5026 118 G 4.4823 9.0325 111.5256 44.6910 0.0000 171.1921 119 Y 5.2344 8.9162 121.1322 55.7532 42.8258 173.7651 120 I 4.8779 8.4042 127.5223 59.6966 39.8482 174.9855 121 G 4.8480 9.4122 114.1015 44.5326 0.0000 172.1041 122 D 5.1200 9.4101 115.8998 52.6409 41.7192 174.5504 123 D 4.7312 8.1508 117.7873 51.6733 44.9831 175.3896 124 L 4.0936 8.9720 120.8585 57.6231 41.0817 179.6365 125 I 3.7669 7.7400 117.3533 63.7959 37.7869 176.9879 126 D 4.3653 8.3198 119.3837 56.1233 40.4592 178.3130 127 W 4.2159 7.8982 128.8811 59.9165 30.7651 175.7293 128 P 4.0837 0.0000 0.0000 65.0645 30.9565 176.8402 129 V 3.3035 6.7177 115.4577 63.0438 31.2216 177.1792 *131 E 3.2169 8.1867 120.3335 54.9282 30.8656 176.6441 132 K 3.9573 7.2380 116.6463 57.4542 32.3930 176.8176 133 V 4.4268 6.9267 110.3186 58.9551 34.4631 175.6224 134 A 4.0144 8.5288 123.5484 54.4193 18.5933 177.4077 135 L 4.5876 7.8239 119.2217 53.6344 44.3386 175.8714 136 R 4.8782 9.8646 127.2307 54.5128 31.8864 174.3225 137 V 4.9422 8.9438 124.6462 61.3574 33.8404 173.8327 138 C 5.3437 8.6354 127.7328 57.4741 34.2000 173.6945 139 V 4.0947 8.3405 118.3069 61.0388 32.0796 177.0385 140 A 3.9494 8.6366 126.0805 54.4080 18.1858 178.7571 141 D 4.7417 7.8943 111.8515 52.9883 39.6560 176.5177 142 G 3.8369 7.8283 109.8750 45.2805 0.0000 173.2915 143 H 4.1187 9.0908 119.7395 55.4738 30.4013 174.5389 144 P 4.1705 0.0000 0.0000 65.5754 30.7114 178.6034 145 L 3.8606 7.7196 120.1612 57.7998 42.2381 178.2977 146 L 3.7722 7.9548 119.6667 58.0974 41.8511 178.5576 147 A 3.9639 7.9205 119.7406 55.2509 18.3260 179.0158 148 Q 3.9467 7.6684 116.9555 59.3546 29.1661 178.4162 149 R 3.7731 7.2681 117.2394 57.2563 30.3651 177.2034 150 A 4.4255 7.1068 120.8403 52.4789 18.8251 176.8075 151 N 4.9071 8.6432 117.1538 53.2983 38.6901 174.5482 152 Y 4.6978 7.8104 121.6278 56.3445 42.4611 173.1716 153 V 4.7802 7.6359 126.7654 60.8982 33.5498 175.4286 154 T 4.0616 8.3212 118.1129 61.8176 69.5072 174.9300 155 H 4.4373 9.3510 119.8221 57.5617 29.6043 176.5708 156 I 4.1808 7.7012 118.9671 60.2336 38.2585 175.9169 157 K 4.2989 8.4513 123.4398 55.6239 32.4607 176.8157 158 G 4.1473 8.4400 110.3608 46.8410 0.0000 174.9090 159 G 4.2402 8.8923 111.7011 43.7998 0.0000 173.5201 160 H 4.7220 8.2388 114.2385 55.2376 30.2268 173.4962 161 G 3.9144 8.6038 107.1996 45.4837 0.0000 176.0107 162 A 3.8821 8.3733 123.6422 55.0910 18.2346 180.2729 163 V 3.3480 7.5625 116.1180 66.0884 31.5840 177.8880 164 R 3.9077 8.7081 118.8559 59.5003 29.4810 177.9611 165 E 3.6975 8.2094 120.4197 58.5466 29.5003 179.1049 166 V 3.4954 7.5482 117.8160 65.9783 31.5229 177.5473 167 C 4.0185 8.2717 116.8503 63.2680 28.0183 176.0313 168 D 4.4093 8.6191 120.5467 57.1377 40.3349 178.6276 169 L 3.9024 7.9274 120.8530 58.2083 42.1071 179.1599 170 I 3.6572 7.7000 119.6180 64.4332 37.0331 178.4745 171 L 4.0047 8.1737 120.0555 57.6404 41.2110 179.2610 172 Q 3.9386 8.5915 119.7594 59.3424 28.8059 178.4034 173 A 4.0137 7.9368 120.2819 55.0304 18.4932 178.9893 174 R 4.1346 7.8569 113.7136 56.0769 30.3889 176.4385 175 N 4.3641 8.1560 115.3119 54.6832 36.2780 174.3320 176 E 4.7181 8.3224 115.7321 55.4725 30.3708 176.1932 177 L 4.0502 7.7810 126.3458 55.7663 41.9566 174.3730 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 S 8.32 4.49 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.50 4.09 0.00 4.09 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 0.00 4 T 7.78 4.92 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 V 8.74 4.47 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 6 S 8.86 4.88 0.00 3.81 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 7 T 8.54 5.00 4.40 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 1.32 0.00 0.00 8 L 8.52 4.04 0.00 1.26 1.21 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 9.33 4.68 0.00 3.01 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 10 G 6.83 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.51 5.21 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 12 V 8.72 4.69 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 0.93 0.00 0.00 1.04 0.00 0.00 13 E 8.70 4.33 0.00 1.97 1.89 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 2.43 2.38 0.00 14 P 0.00 4.28 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 15 S 8.11 4.11 0.00 4.06 4.14 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 16 L 8.02 3.99 0.00 1.85 1.86 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.87 3.95 0.00 1.91 1.70 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.26 3.92 0.00 1.93 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 2.33 2.40 0.00 19 I 7.77 3.84 2.03 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 1.46 1.18 0.91 0.00 0.00 20 A 8.11 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 21 K 8.13 3.90 0.00 1.86 2.01 0.00 1.92 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 1.45 1.56 7.81 22 Q 7.73 4.28 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 23 I 7.01 3.94 1.94 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 1.58 0.72 0.95 0.00 0.00 24 K 9.27 4.58 0.00 1.65 1.82 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.56 7.81 25 L 7.75 5.12 0.00 1.74 1.49 0.96 0.55 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 26 L 9.18 5.05 0.00 1.74 1.48 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.80 4.97 1.86 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.85 0.00 0.00 28 C 8.82 4.86 0.00 3.01 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 29 D 8.32 4.96 0.00 3.11 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 30 V 8.59 4.35 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 1.12 0.00 0.00 1.08 0.00 0.00 31 D 7.81 4.68 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.34 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 0.00 0.00 0.00 0.00 33 V 7.52 4.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.94 0.00 0.00 34 F 8.05 4.31 0.00 3.47 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 5.13 0.00 3.81 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 36 D 7.97 4.91 0.00 2.85 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 37 G 8.30 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 0.00 0.00 0.00 38 L 7.37 4.20 0.00 1.48 1.03 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.93 4.50 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 0.97 0.00 0.00 40 Y 8.79 4.32 0.00 2.97 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 *42 G 8.30 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 0.00 0.00 0.00 0.00 43 N 8.93 4.69 0.00 2.83 2.97 0.00 0.00 5.89 7.39 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 44 Q 8.51 4.48 0.00 2.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 45 G 8.21 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 46 E 7.93 4.10 0.00 1.97 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 2.33 2.39 0.00 47 E 8.50 5.00 0.00 1.95 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 2.24 2.37 0.00 48 L 9.16 4.99 0.00 1.46 1.37 0.71 0.28 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 49 K 8.40 5.05 0.00 1.72 1.53 0.00 1.39 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.00 1.36 7.81 50 T 8.37 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0.00 1.40 0.60 0.93 0.00 0.00 68 E 9.01 4.34 0.00 1.92 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 2.34 2.45 0.00 69 I 8.35 5.15 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 1.00 0.00 0.00 70 A 9.01 5.11 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 71 I 8.79 5.11 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 1.00 0.00 0.00 72 I 8.82 5.13 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.61 1.00 0.00 0.00 73 T 9.29 4.82 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 1.29 0.00 0.00 74 G 8.89 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 75 R 7.50 4.52 0.00 1.97 1.90 0.00 3.09 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 76 R 8.22 5.04 0.00 1.72 1.77 0.00 3.21 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 77 S 9.37 4.74 0.00 4.05 3.92 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 78 Q 8.73 3.94 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 79 I 7.89 3.72 1.97 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 1.60 0.53 1.18 0.00 0.00 80 V 7.60 3.63 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.09 0.00 0.00 81 E 7.64 4.07 0.00 2.08 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 2.50 2.49 0.00 82 N 8.42 4.48 0.00 2.82 2.80 0.00 0.00 6.72 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 83 R 7.74 3.67 0.00 1.24 1.30 0.00 2.71 0.00 0.00 2.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.71 0.00 *85 K 8.02 4.08 0.00 1.84 1.80 0.00 1.74 0.00 0.00 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7.88 3.78 1.16 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 0.00 103 Y 7.88 3.91 0.00 3.00 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 0.00 104 Y 7.81 4.08 0.00 3.10 2.76 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 0.00 105 D 8.10 4.30 0.00 2.95 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 0.00 106 I 7.61 3.63 1.80 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.32 0.90 0.00 0.00 107 C 7.87 3.84 0.00 2.31 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 0.00 108 Q 7.89 3.91 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 109 K 8.21 4.14 0.00 2.02 1.89 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.53 7.81 110 L 7.80 4.47 0.00 1.63 1.70 0.95 0.83 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 0.00 111 A 8.02 3.79 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 0.00 112 I 7.58 4.40 1.89 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 1.36 0.91 0.95 0.00 0.00 113 A 8.37 4.35 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 0.00 114 P 0.00 4.43 0.00 2.38 2.42 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 115 E 8.25 4.12 0.00 2.11 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 2.29 2.29 0.00 116 Q 8.19 4.72 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 117 T 8.11 5.13 4.42 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 1.34 0.00 0.00 118 G 9.03 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 127 W 7.90 4.22 0.00 3.34 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 0.00 128 P 0.00 4.08 0.00 1.89 1.98 0.00 3.73 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 1.99 2.14 0.00 129 V 6.72 3.30 1.15 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 0.46 0.00 0.00 0.72 0.00 0.00 *131 E 8.19 3.22 0.00 1.16 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 1.99 2.17 0.00 132 K 7.24 3.96 0.00 1.42 1.63 0.00 1.28 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 1.22 7.81 133 V 6.93 4.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.86 0.00 0.00 134 A 8.53 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.59 0.00 1.72 1.54 0.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 136 R 9.86 4.88 0.00 1.97 2.00 0.00 3.34 0.00 0.00 2.85 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 137 V 8.94 4.94 2.26 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 1.15 0.00 0.00 1.04 0.00 0.00 138 C 8.64 5.34 0.00 3.08 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 0.00 139 V 8.34 4.09 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 0.65 0.00 0.00 1.08 0.00 0.00 140 A 8.64 3.95 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 0.00 141 D 7.89 4.74 0.00 2.77 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 0.00 142 G 7.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 9.09 4.12 0.00 3.20 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.70 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 4.17 0.00 2.19 2.20 0.00 3.19 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 1.88 1.89 0.00 145 L 7.72 3.86 0.00 1.77 1.76 0.79 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.95 3.77 0.00 1.81 1.79 1.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.92 3.96 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 0.00 148 Q 7.67 3.95 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 149 R 7.27 3.77 0.00 0.95 0.66 0.00 2.21 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.26 0.00 150 A 7.11 4.43 1.41 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 0.00 151 N 8.64 4.91 0.00 2.81 3.02 0.00 0.00 6.62 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 0.00 152 Y 7.81 4.70 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.64 4.78 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 0.77 0.00 0.00 0.83 0.00 0.00 154 T 8.32 4.06 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 155 H 9.35 4.44 0.00 3.33 3.48 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 7.70 4.18 1.86 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 0.96 0.00 0.00 157 K 8.45 4.30 0.00 1.84 1.76 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.43 7.81 158 G 8.44 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 0.00 0.00 0.00 0.00 159 G 8.89 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 0.00 0.00 0.00 0.00 160 H 8.24 4.72 0.00 3.28 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.60 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 0.00 0.00 0.00 162 A 8.37 3.88 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 0.00 163 V 7.56 3.35 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 0.92 0.00 0.00 0.11 0.00 0.00 164 R 8.71 3.91 0.00 2.17 2.15 0.00 3.34 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 165 E 8.21 3.70 0.00 1.48 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 2.02 1.47 0.00 166 V 7.55 3.50 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 0.90 0.00 0.00 0.99 0.00 0.00 167 C 8.27 4.02 0.00 3.21 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 0.00 168 D 8.62 4.41 0.00 3.02 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 0.00 169 L 7.93 3.90 0.00 1.64 1.65 0.76 0.28 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 0.00 170 I 7.70 3.66 1.85 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 1.62 0.63 0.93 0.00 0.00 171 L 8.17 4.00 0.00 1.70 1.74 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.59 3.94 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 173 A 7.94 4.01 1.43 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 0.00 174 R 7.86 4.13 0.00 1.95 1.98 0.00 3.27 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 175 N 8.16 4.36 0.00 2.87 2.95 0.00 0.00 6.74 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.32 4.72 0.00 1.88 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 2.23 2.39 0.00 177 L 7.78 4.05 0.00 1.57 1.56 0.97 1.03 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 * Residues marked with a * may have inaccurate shift predictions.