NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 P 4.4249 0.0000 0.0000 62.7376 33.0574 175.3184 20 R 4.9147 8.5607 125.2482 54.4517 31.6557 166.8892 21 V 4.5294 9.5630 118.6267 58.9505 35.7044 173.8431 22 Y 5.2062 8.7966 121.2481 56.5831 40.0834 174.9583 23 V 4.4985 9.1124 124.2311 60.5397 34.7767 174.1971 24 D 4.6575 8.4159 128.0789 54.6384 41.5047 177.5259 25 V 3.7993 8.2278 124.7429 66.4124 31.6543 178.0530 26 R 3.9602 8.5098 116.4223 58.8691 29.2606 178.1494 27 E 4.0464 8.2817 123.0784 58.9974 29.2996 179.3493 28 E 4.0644 8.3698 120.4484 61.6214 29.6076 182.8029 29 R 4.5751 8.0335 114.5128 56.7006 29.7161 180.8363 30 S 4.6659 8.2432 115.9671 58.1849 64.9166 173.4948 31 P 4.3798 0.0000 0.0000 64.9378 31.0314 179.3886 32 V 3.6218 7.3691 117.2626 65.6001 31.5381 176.1694 33 P 4.3518 0.0000 0.0000 65.4481 31.0802 178.5577 34 S 4.0423 8.0114 111.4841 61.6394 62.5229 175.9677 35 I 3.7609 7.5159 123.6051 65.1587 36.7946 179.0853 36 L 4.0633 7.9060 123.0844 59.4182 40.7740 181.9734 37 E 5.1605 8.2514 120.6604 58.7255 29.0892 178.9033 38 S 4.0282 8.1190 113.1744 61.5868 62.5760 176.0434 39 L 4.1312 8.2981 121.2958 55.9225 41.6308 177.7014 40 G 3.8672 8.0788 107.0234 45.8151 0.0000 173.2890 41 V 4.4318 8.0804 119.2846 60.2926 34.3306 174.5534 42 Q 4.3136 8.7772 129.6847 56.2841 30.1219 174.8913 43 V 4.5932 8.5325 126.3553 61.2864 33.2130 173.9810 44 I 4.4864 8.6959 129.8425 59.4263 38.8511 173.2814 45 P 5.8500 0.0000 0.0000 61.8754 33.1198 175.5041 46 K 4.6383 8.4650 124.5213 53.3289 36.6453 174.0447 47 Q 4.3846 8.2939 118.1721 55.1474 26.6729 175.3450 48 L 3.9290 7.9475 120.3686 54.2477 42.5742 175.3792 49 P 4.3331 0.0000 0.0000 65.7204 31.0592 175.9776 50 M 4.7504 7.3957 116.2847 52.4622 36.2253 176.4227 51 G 4.0542 8.3169 107.2776 45.9476 0.0000 171.8716 52 D 4.6698 8.3345 114.6734 54.7788 44.5520 175.9442 53 Y 5.2354 8.7675 116.2724 56.1975 41.9836 174.2656 54 L 4.7921 9.2101 127.7540 54.1685 43.3419 176.5494 55 V 3.9811 8.7401 125.8243 63.9054 32.7747 174.9392 56 S 4.8108 7.7542 112.7160 56.7719 66.2244 173.5629 57 D 4.6553 9.0797 118.5662 56.9437 39.3068 174.6230 58 S 4.4397 8.2957 114.3930 61.0662 64.3993 173.7565 59 I 4.7875 7.9477 123.1498 59.9603 38.2373 175.0161 60 I 4.9954 8.6429 127.0332 59.1847 41.7956 174.2669 61 V 4.9699 8.5997 125.2708 61.3828 35.0314 173.1679 62 E 5.0475 8.8372 128.7943 54.4161 31.6861 174.5518 63 R 4.7779 8.8625 124.0898 55.2314 31.3520 176.0227 64 K 4.7242 8.7214 121.7337 54.5019 35.8239 176.1927 65 T 4.2835 8.6125 115.5804 61.2766 69.8861 175.2851 66 S 4.2243 8.8284 121.0315 62.2493 62.8929 177.6554 67 S 4.1921 8.0740 116.0857 61.6920 63.1154 176.1666 68 D 4.6069 7.8375 121.7218 56.7881 40.6026 178.4761 69 F 4.1989 8.8104 121.6789 60.8991 39.4988 177.0874 70 A 3.6217 8.2424 123.0347 54.8331 17.8822 179.9852 71 K 4.2995 8.1756 121.8052 58.6237 32.3885 182.5114 72 S 4.7056 7.8412 114.6573 60.7543 63.4666 177.0671 73 L 3.4108 6.8701 121.7157 57.1134 40.4161 181.7991 74 F 4.6856 7.1522 114.1255 58.6933 39.0189 175.9218 75 D 4.9339 7.9339 120.8223 53.4023 41.5957 178.7249 76 G 4.0301 8.7362 113.3668 48.3765 0.0000 177.0528 77 R 3.9406 10.6400 119.8737 61.1716 29.3514 179.4763 78 L 4.2913 8.2803 119.9819 57.2720 41.6781 178.0542 79 F 4.1444 8.0331 119.4328 61.6028 39.5061 177.9446 80 E 4.0168 8.3276 117.1434 61.2109 29.6048 180.9511 81 Q 4.1414 7.7186 119.6258 59.0919 29.0498 178.6858 82 A 3.9557 8.2526 121.7127 55.9725 18.3051 179.1004 83 S 4.0945 8.7048 115.8772 62.4793 62.9486 177.7164 84 R 4.2336 8.1738 122.0937 62.0788 28.8354 180.8737 85 L 4.2304 8.6521 119.6754 57.2975 41.3928 179.2885 86 A 4.4035 7.9121 121.8685 54.5393 18.9570 179.8758 87 E 4.1369 8.9520 117.7815 61.7247 29.9636 183.1266 88 H 4.5200 8.0598 115.6072 57.8620 29.0976 175.6577 89 Y 4.5143 7.5245 115.3950 56.8374 39.4649 174.3885 90 E 4.4461 8.4754 116.7413 58.4923 30.9975 176.8585 91 T 4.2043 8.0209 124.7761 61.8855 69.6288 173.3691 92 V 4.7625 8.1083 127.1897 61.0223 34.3422 173.9894 93 F 5.7137 8.8788 126.9233 55.5027 41.2373 175.1691 94 I 4.5545 8.2504 124.0303 59.6797 38.9302 174.4444 95 I 4.1315 8.2130 129.5464 60.6898 38.4843 175.3136 96 V 4.7246 8.3912 127.4546 61.1096 33.8925 173.8208 97 E 4.6000 8.8531 129.2975 56.1309 31.0177 174.9582 98 G 4.2350 9.5324 114.4020 43.8167 0.0000 170.0759 99 P 4.8230 0.0000 0.0000 61.3320 32.6659 174.2632 100 P 4.3031 0.0000 0.0000 65.1919 31.3025 176.7529 101 V 4.3659 7.4777 111.4556 58.5963 33.3529 173.8204 102 P 4.4946 0.0000 0.0000 63.2149 31.7997 178.3994 103 R 4.2794 8.3683 117.2094 58.0963 29.6980 178.5067 104 R 4.0052 7.9421 115.1358 59.2210 30.3132 176.1401 105 Y 4.8195 7.8297 116.2805 58.5224 39.4797 177.3314 106 R 4.5333 8.1288 117.0798 55.1668 28.9114 178.6924 107 G 4.1908 7.4949 114.1992 45.7986 0.0000 175.1529 108 R 4.4693 7.7421 118.4529 56.5435 30.0662 177.9648 109 E 4.2997 8.3781 121.2994 58.2660 29.6592 178.6373 110 R 3.9820 8.1539 122.6463 62.0581 29.2957 184.1687 111 S 4.3598 8.1294 114.3825 61.3614 63.2761 175.1365 112 L 3.8507 7.6328 124.5723 59.6055 41.2577 179.5232 *113 Y 4.1523 8.3097 120.6543 61.6207 37.0655 180.4743 114 A 4.2446 7.5756 120.2058 55.4969 18.3594 179.5681 115 A 4.1358 8.6602 119.9373 55.6398 18.4758 179.4689 116 M 4.1255 8.0643 116.5031 58.6247 32.1215 178.4939 117 A 3.9801 7.8695 120.0814 55.5792 18.0470 179.2826 118 A 3.9521 8.1304 118.7445 55.2716 18.5221 179.3902 119 L 4.0949 8.8964 117.6038 58.6585 41.6391 179.7046 120 Q 4.2719 8.1972 117.7058 58.6728 28.7374 178.7153 121 L 4.1358 8.0368 119.9324 57.9958 41.8693 179.1526 122 D 4.6197 9.2588 118.5704 56.2120 41.0192 176.9417 *123 Y 4.5083 7.8796 115.9533 57.2763 38.2109 177.7499 124 G 3.9952 8.4544 106.7569 45.9027 0.0000 174.8249 125 I 3.9596 7.4177 123.6826 62.0987 38.4883 175.7243 126 R 4.5279 8.7120 126.3726 54.9491 31.9879 174.2441 127 L 5.2384 8.3021 123.1799 51.4310 44.3571 176.2713 128 M 4.4967 8.6598 123.6422 54.2749 34.5680 174.7190 129 N 5.3757 8.5389 118.9083 52.2036 41.1525 173.6733 130 T 4.5284 9.2169 119.4701 61.0546 71.6423 175.6911 131 M 5.1419 8.4233 119.3263 53.1292 31.5435 175.9712 132 D 4.6440 7.3481 118.9770 52.3471 42.5685 175.0901 133 P 4.7167 0.0000 0.0000 65.7334 31.0101 179.6110 134 K 4.0493 8.3187 121.8231 59.8958 30.9182 180.3833 135 G 4.0058 10.5042 106.5709 48.5650 0.0000 175.3504 136 T 3.7268 7.7568 116.9504 66.4655 68.5469 176.1829 137 A 3.5042 8.6545 122.4107 55.0977 18.4083 179.7918 138 L 3.8255 9.5553 117.3801 57.7767 41.7768 179.5680 139 V 3.4258 8.8557 118.4133 66.2803 31.4556 178.1732 140 I 3.4697 8.2648 120.3075 64.0083 36.7973 177.8781 141 E 3.7525 8.3131 120.4566 59.5484 29.4623 178.8713 142 S 4.0320 7.8471 114.9921 61.9376 62.6896 177.0285 143 L 3.8473 7.4892 119.2201 58.2475 41.7729 178.7915 144 A 3.6910 8.0118 118.6578 55.5977 18.1515 179.7578 145 R 3.8178 8.4936 114.1722 59.1631 30.2233 179.5899 146 L 4.4806 7.6299 114.1332 55.1913 41.4340 177.9969 147 S 4.6301 8.3314 112.6016 57.9590 64.9073 174.9485 148 T 4.3857 7.4694 119.5762 61.3317 66.4673 173.1235 149 R 4.5004 7.6642 119.1037 54.4112 32.3873 175.0774 150 E 3.8892 8.6802 120.7154 57.0792 30.0259 176.5628 151 G 3.9284 8.7891 109.6768 45.9539 0.0000 174.8028 152 G 3.9875 7.4309 107.2804 45.4879 0.0000 173.6859 153 Q 4.5001 7.5183 118.2843 54.1909 32.6580 174.5178 154 R 4.1677 8.5718 122.0010 55.6402 30.9622 176.2827 155 I 4.3003 8.1284 123.1483 59.4882 38.0804 174.9200 156 V 4.0071 8.0615 124.9423 61.7478 32.3741 176.1185 157 I 4.3922 7.8312 126.9020 59.5393 37.6351 173.9625 158 H 4.4795 8.3657 121.8037 54.8479 29.4488 176.0869 159 K 4.4211 8.4752 123.2256 56.2757 33.7381 175.9349 160 K 4.6975 8.0943 117.6712 53.4831 34.9461 174.7720 161 P 4.0421 0.0000 0.0000 63.8739 31.6399 178.3185 162 R 4.2824 8.2663 124.0267 55.7584 27.8645 173.8588 163 L 4.2329 7.6915 125.2349 53.2993 42.0590 176.6422 164 S 4.4121 7.8526 118.7783 58.1662 62.3310 173.5804 165 D 4.5584 8.1993 117.1190 54.8741 43.1244 177.8144 166 V 3.8903 8.8053 124.4027 67.2964 30.9946 179.3206 167 R 4.1302 8.1784 121.6205 61.3046 29.3253 181.1731 168 E 4.1509 8.0367 116.5284 61.4356 29.9168 183.5136 169 W 4.6471 7.6365 119.4013 60.0920 29.2462 178.3712 170 Q 4.1718 8.5744 117.7703 59.4753 28.2235 179.6811 171 L 4.0840 7.6736 118.4181 57.5892 41.5169 178.5522 172 Y 4.1975 8.3185 119.0226 60.9428 38.9827 177.9146 173 I 3.9870 8.6412 120.7540 64.7774 37.4262 178.4040 174 L 4.2841 8.1484 119.4603 58.0728 41.2408 179.6353 175 Q 4.1603 8.1412 116.7285 58.6648 28.6329 178.6940 176 S 4.1238 7.9791 115.6505 60.1310 63.0805 174.8913 177 F 4.2188 7.9728 121.2331 56.1183 39.4060 173.0173 178 P 4.4469 0.0000 0.0000 64.1385 31.9559 174.8705 179 G 4.3769 9.1509 114.9226 45.9758 0.0000 174.1387 180 I 3.7924 7.1645 119.6055 60.8811 37.7609 175.9081 181 G 4.3756 8.2181 115.1703 43.8109 0.0000 173.0716 182 R 3.8785 8.5230 117.4914 59.3204 29.9492 179.4173 183 R 3.8150 7.8444 117.9868 59.8292 30.3413 178.0574 184 T 3.7970 8.0328 114.8541 66.8912 68.3050 175.4796 185 A 3.8444 8.0097 122.0900 55.6700 18.2365 179.3361 186 E 3.8601 8.1042 115.6985 59.6552 29.6234 179.8757 187 R 4.0475 8.1577 118.0432 59.3853 30.0506 178.9661 188 I 3.6678 8.1458 119.5666 64.6389 37.1171 178.5658 189 L 3.6712 8.1105 119.8121 57.7185 41.1273 179.2700 190 E 3.9359 8.8722 121.4523 60.1813 29.5301 179.7771 191 R 3.8446 8.3389 119.9418 60.9617 29.5754 180.0423 192 F 4.9274 9.1410 118.7456 57.6988 39.9410 178.0755 193 G 4.0874 8.4173 105.7711 45.0991 0.0000 173.6162 194 S 4.7456 7.6203 115.1274 55.8460 66.5107 174.7203 195 L 3.5226 8.8898 127.3347 58.7572 41.3717 180.0188 196 E 4.3326 8.1832 117.2590 61.6737 29.3543 181.0712 197 R 4.0566 7.7271 118.0921 59.1184 30.5115 178.0330 198 F 3.1430 8.0359 120.3746 61.0158 39.1283 177.1431 199 F 4.2171 8.3083 117.0852 59.9501 38.7116 176.6803 200 T 4.3906 7.2129 112.5034 62.1139 69.0212 174.1514 201 A 4.2290 7.0726 125.0741 52.1637 19.2282 177.5137 202 S 4.7825 8.6354 116.9773 57.2178 66.2557 176.0499 203 K 3.8164 8.5185 126.9613 60.9376 30.8963 178.8880 204 A 4.0631 8.3400 120.1654 55.5606 17.7774 178.8844 205 E 3.8319 8.5179 117.6125 59.5327 30.2557 180.0412 206 I 4.2459 7.9537 119.6830 64.3475 37.2054 178.2837 207 S 4.7112 8.4149 114.2790 59.6021 62.8098 175.6307 208 K 4.4199 7.4600 121.9600 57.9091 33.0637 176.2352 209 V 3.3917 7.6013 120.0908 62.7313 31.2032 174.2212 210 E 3.9747 8.7299 128.3454 58.9068 29.2471 176.1680 211 G 3.9452 8.7468 114.8588 45.3915 0.0000 172.9447 212 I 4.3741 8.3194 121.8564 59.3390 38.5013 175.3836 213 G 4.2650 8.4819 122.0156 45.7296 0.0000 171.7812 214 E 3.9603 8.5074 115.9267 58.4674 30.7904 176.0116 215 K 4.0549 8.1109 122.3624 60.3248 32.0882 181.2306 216 R 4.2332 8.1423 118.2701 58.6821 29.9521 178.8924 217 A 4.1335 8.2791 121.1881 54.7013 18.5796 179.1522 218 E 3.9890 8.4040 119.2238 60.4705 29.5790 180.1145 219 E 4.0275 8.1348 117.7112 61.2871 29.7763 180.9564 220 I 4.3200 7.9905 121.1658 64.1056 37.1622 178.4901 221 K 4.1439 8.4515 121.4061 58.9857 31.9792 180.1703 222 K 4.0040 8.6209 124.7593 59.8151 31.4330 183.3541 223 I 3.8960 8.0323 120.4599 64.3586 37.1525 178.4292 224 L 4.2230 8.0895 118.9170 56.7888 41.5199 177.6411 225 M 4.7083 7.8364 112.4420 54.5630 32.3008 175.6214 226 T 3.9983 8.2062 118.1270 62.8948 68.9803 173.0529 227 P 4.5568 0.0000 0.0000 62.5009 32.4027 174.3928 228 Y 4.7065 8.3043 121.6594 56.5540 40.8544 176.1354 229 K 3.9115 7.3587 125.6204 54.6406 31.8760 176.1897 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 19 P 0.00 4.42 0.00 2.08 2.23 0.00 3.59 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 1.92 1.94 0.00 20 R 8.56 4.91 0.00 1.67 1.73 0.00 3.22 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 0.00 21 V 9.56 4.53 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 0.65 0.00 0.00 1.01 0.00 0.00 22 Y 8.80 5.21 0.00 3.00 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 23 V 9.11 4.50 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 0.83 0.00 0.00 1.16 0.00 0.00 24 D 8.42 4.66 0.00 2.64 2.39 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 25 V 8.23 3.80 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 0.90 0.00 0.00 0.96 0.00 0.00 26 R 8.51 3.96 0.00 2.05 2.09 0.00 2.82 0.00 0.00 3.07 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 27 E 8.28 4.05 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 1.77 2.35 0.00 28 E 8.37 4.06 0.00 2.05 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 2.28 2.24 0.00 29 R 8.03 4.58 0.00 1.78 1.83 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 30 S 8.24 4.67 0.00 3.96 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 31 P 0.00 4.38 0.00 2.16 2.10 0.00 3.62 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 2.12 2.14 0.00 32 V 7.37 3.62 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 0.93 0.00 0.00 0.94 0.00 0.00 33 P 0.00 4.35 0.00 2.25 2.18 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 34 S 8.01 4.04 0.00 3.89 3.99 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 0.00 0.00 0.00 0.00 35 I 7.52 3.76 1.97 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 1.37 0.49 0.87 0.00 0.00 36 L 7.91 4.06 0.00 1.67 1.67 0.92 0.76 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 37 E 8.25 5.16 0.00 2.02 2.02 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 2.32 2.41 0.00 38 S 8.12 4.03 0.00 3.99 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 0.00 39 L 8.30 4.13 0.00 1.55 1.68 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.08 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 0.00 0.00 0.00 41 V 8.08 4.43 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 0.90 0.00 0.00 0.87 0.00 0.00 42 Q 8.78 4.31 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 43 V 8.53 4.59 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 0.97 0.00 0.00 1.08 0.00 0.00 44 I 8.70 4.49 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.43 1.08 0.00 0.00 45 P 0.00 5.85 0.00 2.08 2.05 0.00 3.36 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 46 K 8.47 4.64 0.00 1.42 1.68 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 0.99 7.81 47 Q 8.29 4.38 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 48 L 7.95 3.93 0.00 1.81 1.77 0.98 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*123 Y 7.88 4.51 0.00 2.65 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 0.00 0.00 0.00 0.00 124 G 8.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.42 3.96 1.91 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 1.04 0.76 0.83 0.00 0.00 126 R 8.71 4.53 0.00 1.43 1.78 0.00 3.20 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 127 L 8.30 5.24 0.00 1.40 1.52 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 128 M 8.66 4.50 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 129 N 8.54 5.38 0.00 2.62 2.64 0.00 0.00 6.93 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 0.00 130 T 9.22 4.53 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 1.16 0.00 0.00 131 M 8.42 5.14 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.04 0.00 132 D 7.35 4.64 0.00 2.84 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 0.00 133 P 0.00 4.72 0.00 2.17 2.15 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 134 K 8.32 4.05 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 135 G 10.50 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 0.00 136 T 7.76 3.73 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 1.18 0.00 0.00 137 A 8.65 3.50 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 0.00 138 L 9.56 3.83 0.00 1.84 1.66 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.86 3.43 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 0.80 0.00 0.00 0.88 0.00 0.00 140 I 8.26 3.47 1.52 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.59 0.57 0.00 0.00 141 E 8.31 3.75 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 142 S 7.85 4.03 0.00 4.13 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 0.00 143 L 7.49 3.85 0.00 1.56 1.53 0.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.01 3.69 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 0.00 145 R 8.49 3.82 0.00 1.95 1.97 0.00 3.26 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 146 L 7.63 4.48 0.00 1.77 1.67 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.33 4.63 0.00 3.90 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 0.00 148 T 7.47 4.39 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 1.20 0.00 0.00 149 R 7.66 4.50 0.00 1.92 1.98 0.00 3.00 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 150 E 8.68 3.89 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 151 G 8.79 3.93 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 0.00 0.00 0.00 152 G 7.43 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.52 4.50 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 154 R 8.57 4.17 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 155 I 8.13 4.30 1.87 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 1.30 0.62 0.91 0.00 0.00 156 V 8.06 4.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.91 0.00 0.00 157 I 7.83 4.39 1.86 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 1.41 0.79 0.92 0.00 0.00 158 H 8.37 4.48 0.00 3.22 3.29 0.00 5.70 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 0.00 159 K 8.48 4.42 0.00 1.89 1.86 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.49 7.81 160 K 8.09 4.70 0.00 1.81 1.79 0.00 1.93 0.00 0.00 1.84 0.00 0.00 3.25 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.60 1.60 7.81 161 P 0.00 4.04 0.00 1.23 1.59 0.00 2.92 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.70 0.00 162 R 8.27 4.28 0.00 1.83 1.75 0.00 3.25 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 163 L 7.69 4.23 0.00 1.65 1.47 0.92 0.86 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 0.00 164 S 7.85 4.41 0.00 3.62 3.60 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 0.00 165 D 8.20 4.56 0.00 2.82 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 0.00 166 V 8.81 3.89 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 1.18 0.00 0.00 0.99 0.00 0.00 167 R 8.18 4.13 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 168 E 8.04 4.15 0.00 1.97 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 2.31 1.97 0.00 169 W 7.64 4.65 0.00 3.68 3.36 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 0.00 170 Q 8.57 4.17 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 171 L 7.67 4.08 0.00 1.90 1.73 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.32 4.20 0.00 2.64 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 0.00 173 I 8.64 3.99 2.26 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.99 1.21 0.00 0.00 174 L 8.15 4.28 0.00 1.83 1.70 0.65 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.14 4.16 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.56 2.76 0.00 176 S 7.98 4.12 0.00 3.75 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 0.00 177 F 7.97 4.22 0.00 3.50 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 0.00 178 P 0.00 4.45 0.00 2.23 2.09 0.00 4.00 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 179 G 9.15 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 0.00 0.00 0.00 0.00 180 I 7.16 3.79 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.95 0.00 0.00 181 G 8.22 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 0.00 0.00 0.00 0.00 182 R 8.52 3.88 0.00 1.86 1.93 0.00 3.34 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 183 R 7.84 3.81 0.00 1.95 1.89 0.00 3.37 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 184 T 8.03 3.80 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 1.18 0.00 0.00 185 A 8.01 3.84 1.36 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 0.00 0.00 0.00 186 E 8.10 3.86 0.00 2.16 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 2.32 2.50 0.00 187 R 8.16 4.05 0.00 1.99 1.95 0.00 3.34 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 188 I 8.15 3.67 1.73 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 0.06 0.00 0.00 189 L 8.11 3.67 0.00 1.73 1.70 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.87 3.94 0.00 2.04 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 2.31 2.30 0.00 191 R 8.34 3.84 0.00 1.86 1.86 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 192 F 9.14 4.93 0.00 3.11 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 0.00 193 G 8.42 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 S 7.62 4.75 0.00 3.86 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 0.00 195 L 8.89 3.52 0.00 1.63 1.16 1.12 0.79 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 0.00 196 E 8.18 4.33 0.00 1.97 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 0.00 2.33 1.99 0.00 197 R 7.73 4.06 0.00 1.84 2.09 0.00 3.29 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 1.72 1.74 0.00 198 F 8.04 3.14 0.00 2.69 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 0.00 199 F 8.31 4.22 0.00 3.10 2.95 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 0.00 200 T 7.21 4.39 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 201 A 7.07 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 8.64 4.78 0.00 4.07 3.99 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 0.00 0.00 0.00 0.00 203 K 8.52 3.82 0.00 1.78 1.88 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.10 7.81 204 A 8.34 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 E 8.52 3.83 0.00 2.27 2.39 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 2.45 2.47 0.00 206 I 7.95 4.25 2.13 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.64 1.07 0.00 0.00 207 S 8.41 4.71 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 K 7.46 4.42 0.00 1.76 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.66 7.81 209 V 7.60 3.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.07 0.00 0.00 210 E 8.73 3.97 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 211 G 8.75 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 0.00 212 I 8.32 4.37 2.10 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 1.27 1.14 0.98 0.00 0.00 213 G 8.48 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 0.00 214 E 8.51 3.96 0.00 1.91 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 2.31 1.88 0.00 215 K 8.11 4.05 0.00 1.75 1.88 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.15 7.81 216 R 8.14 4.23 0.00 1.89 2.08 0.00 3.13 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 217 A 8.28 4.13 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 0.00 218 E 8.40 3.99 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.35 0.00 219 E 8.13 4.03 0.00 2.01 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 2.24 2.22 0.00 220 I 7.99 4.32 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.85 0.85 0.00 0.00 221 K 8.45 4.14 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.49 7.81 222 K 8.62 4.00 0.00 1.71 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 223 I 8.03 3.90 2.23 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 1.47 0.95 0.81 0.00 0.00 224 L 8.09 4.22 0.00 1.69 1.70 0.81 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 0.00 225 M 7.84 4.71 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.76 0.00 226 T 8.21 4.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 227 P 0.00 4.56 0.00 2.03 2.03 0.00 3.61 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 2.01 2.06 0.00 228 Y 8.30 4.71 0.00 2.82 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 0.00 229 K 7.36 3.91 0.00 1.81 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.33 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.