NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3657 0.0000 0.0000 62.5050 32.6428 175.4230 2 M 4.3455 8.1123 118.1282 54.8984 33.1338 174.6643 3 I 4.6475 9.2063 122.2891 59.5173 40.5521 174.1611 4 L 4.8444 8.5870 128.4903 53.1824 44.4087 175.0458 5 G 4.2835 8.4487 113.1300 44.1761 0.0000 172.5003 *7 W 5.1065 8.3795 122.7892 56.1648 30.2766 175.6454 8 N 4.8945 8.9458 113.3260 53.5065 36.1990 174.7090 9 V 4.5350 7.2949 112.1651 59.8571 34.4192 175.5294 10 R 3.8845 8.2871 117.2463 57.0433 30.4443 179.4695 11 G 4.0415 7.8116 109.2646 45.4453 0.0000 174.1811 12 L 4.1752 8.5125 119.4659 56.8828 41.9232 178.3359 13 T 4.2556 7.5818 115.1180 64.7238 68.6966 176.0154 14 H 4.1996 7.9674 121.5098 59.1427 29.8191 175.0924 15 P 4.5335 0.0000 0.0000 65.2558 31.2811 178.4666 16 I 3.6974 7.5522 119.8160 64.4101 37.2830 178.1368 17 R 3.9581 8.2839 119.2120 59.3221 29.6759 179.1307 18 L 4.1453 7.8639 117.7181 57.6096 41.6985 179.1815 19 L 3.3175 7.6146 119.3570 57.9894 41.9064 178.4284 20 L 4.2228 8.0475 120.6329 57.0801 41.5005 179.7319 21 E 4.3443 8.1718 117.4384 56.7330 29.5110 178.4011 *23 T 4.0154 7.8151 107.6034 60.2301 70.6157 173.0708 24 D 4.3481 8.0822 120.8662 55.6890 38.9078 174.2070 25 S 4.3686 8.9823 113.9898 58.2319 64.2494 174.2751 26 S 4.4348 8.2897 117.5040 57.1997 63.6807 172.9374 *28 E 4.3962 8.3676 125.6456 56.4440 31.0347 174.4272 29 E 4.9136 8.6666 120.8844 54.8438 32.2704 176.0656 30 K 4.3806 9.4585 125.1927 54.7327 33.1185 176.6902 31 R 4.1605 7.9710 124.7303 54.8287 31.9264 175.1835 *33 A 4.1916 8.2870 120.9553 53.0385 19.3290 175.7792 34 M 4.6451 8.6952 123.3969 54.1100 33.3801 176.0575 35 G 4.0978 10.0434 113.9529 46.7466 0.0000 172.2245 36 D 4.8951 8.4012 119.4814 52.2810 41.5038 175.4042 37 A 4.5356 8.2512 120.9868 50.2242 20.2187 175.6028 38 P 4.3163 0.0000 0.0000 67.0626 32.3446 177.2048 39 D 4.5177 6.6387 114.1355 51.1399 43.6680 176.2518 *41 D 4.4460 8.4863 123.7827 55.5144 42.0573 175.8812 42 R 5.3016 8.4077 125.6196 55.8115 31.7446 177.9935 43 S 4.2209 8.2332 115.4020 61.7232 62.7103 175.6560 44 Q 4.2978 8.3118 119.7185 58.2773 28.2863 178.1002 45 W 4.5513 8.1643 129.9512 60.2139 30.9243 177.9332 46 L 3.4906 8.1649 118.0038 57.7146 41.0712 179.1211 47 N 4.5234 8.5961 116.2273 54.8374 38.8018 176.0232 48 E 4.4807 7.3582 115.8595 55.3016 30.4357 177.3743 49 K 2.4800 7.0378 122.1577 59.0640 31.9354 176.9214 50 F 4.7334 7.4839 113.1915 57.2321 38.9511 176.1021 51 K 4.5012 8.3504 118.7317 56.3098 32.3799 176.5984 52 L 4.4502 7.8043 117.4846 53.8263 42.0828 176.4539 53 G 3.9034 7.9821 106.0494 46.4423 0.0000 173.8073 54 L 4.2520 7.9213 119.1918 53.5842 41.8158 176.3043 55 D 4.1081 8.2596 123.2225 56.6162 41.2431 177.2993 56 F 4.7633 7.6721 125.2076 54.1954 38.9504 172.1824 57 P 4.0875 0.0000 0.0000 62.7687 31.5583 175.6761 58 N 4.6509 8.2473 118.8263 53.4443 41.6666 172.7417 59 L 4.3010 7.9652 119.0568 51.9419 44.6095 175.6120 60 P 5.2425 0.0000 0.0000 61.1951 33.7483 174.1947 *62 L 4.3175 8.1895 118.5152 55.5369 43.5532 176.3051 63 I 4.7348 8.8923 127.0192 59.7773 40.0715 174.1251 64 D 4.7862 9.3880 128.0363 51.4666 41.5559 176.7307 65 G 3.8291 8.6172 117.0511 46.0674 0.0000 174.6161 66 S 4.1346 8.7555 118.5299 60.2997 63.2712 174.4452 67 R 4.0566 8.1144 121.4603 55.7070 29.4046 175.4259 68 K 4.8534 8.5564 123.4604 54.7572 33.8393 175.8522 69 I 4.7003 9.1523 126.9327 59.5634 39.8086 175.5421 70 T 4.4354 8.5343 115.9028 60.7668 72.2002 170.4747 71 Q 3.6118 8.6163 125.1692 55.6987 25.5112 174.3351 72 S 4.0930 8.6540 119.0307 61.9444 62.6470 176.3914 73 N 4.3301 8.1456 119.1567 55.6579 38.0863 177.1073 74 A 3.9560 7.7407 120.8017 55.2433 18.6830 179.0522 75 I 3.7778 7.9162 117.3111 64.9366 37.4020 178.1994 76 M 4.2291 8.3245 119.6618 58.3338 31.7161 179.9258 77 R 4.2226 8.1807 116.3133 56.7224 30.1091 178.6059 *79 L 4.2352 8.0001 121.0839 54.8115 43.9662 179.3021 80 A 3.9358 8.2347 121.7619 55.3234 18.8299 179.8203 81 R 3.8948 8.5228 115.4573 59.3672 30.4003 178.9093 82 K 3.6117 8.1441 117.0944 59.5584 31.9168 176.7862 83 H 4.4898 7.8568 111.8103 55.1632 29.3053 174.2594 84 H 4.0828 7.6367 114.7997 57.6153 25.7000 174.9062 85 L 4.7777 8.6327 113.1549 54.7975 42.7674 177.1265 86 C 4.7123 7.9271 115.1337 57.4590 30.6037 174.1043 87 G 3.7807 8.4260 109.9392 46.1802 0.0000 173.6191 88 E 4.4606 9.3263 121.9245 56.5050 30.5958 176.6301 89 T 4.7632 7.4859 108.9962 58.7637 73.2281 174.1563 90 E 3.8702 8.6511 121.9974 59.5151 29.7161 178.2129 91 E 3.9276 8.3162 118.7773 59.7409 29.4945 178.5449 92 E 4.1640 8.3268 117.9971 59.7352 29.6870 179.6411 93 R 4.0454 8.5919 118.2060 59.3302 30.0183 179.3246 94 I 3.7758 8.0832 119.8866 64.4314 37.1779 178.6076 95 R 4.1857 8.2414 118.7147 59.4225 29.8614 179.0420 96 A 4.1278 8.6294 120.9630 55.2582 18.4823 179.4721 97 D 4.1975 8.0768 117.3479 57.4014 40.8786 179.1017 98 I 3.6323 7.9700 120.4646 64.2285 37.0482 178.5562 99 V 3.2934 7.7383 118.9758 65.9641 30.9025 177.3358 100 E 3.8618 8.7107 119.6098 59.7417 29.2465 178.7403 101 N 4.3796 8.0202 115.8222 56.1049 38.5634 177.3158 102 Q 3.8390 8.4096 121.5192 58.9660 29.0611 178.2495 103 V 3.4661 7.8931 119.6181 66.2757 31.5671 177.4656 104 M 3.9038 7.5686 116.6048 58.7805 31.9329 177.7769 105 D 4.3023 7.7854 118.7295 57.6689 41.0740 178.6927 106 N 4.7477 8.1319 118.1044 55.6817 38.4102 177.3210 107 R 3.8305 8.7498 121.1306 59.8694 30.1517 178.1476 108 M 3.9882 8.5172 118.5883 58.7859 31.8452 178.8380 109 Q 4.0647 8.2307 117.8970 58.8768 28.8403 178.7746 110 L 3.8795 8.0213 121.1047 58.2509 42.0939 178.5691 111 I 3.8748 8.0070 119.9512 65.0694 36.9005 177.8351 112 M 4.0013 7.9849 117.9740 58.6224 32.1835 178.6189 113 L 4.0897 7.5672 119.8075 58.4587 42.1314 178.6140 114 C 4.8776 8.6546 116.2333 61.8619 27.7142 174.5248 115 Y 4.1512 7.6353 117.0810 57.4185 38.1535 175.4951 116 N 4.7102 8.9533 121.2692 52.2200 38.1398 174.3575 117 P 4.2415 0.0000 0.0000 65.7424 31.4383 177.8402 118 D 4.6981 8.4481 115.4276 54.5529 41.5663 177.4948 119 F 3.5344 9.7982 115.1441 61.5778 39.1007 178.7786 120 E 3.8031 8.7437 118.5002 58.6213 30.8552 179.2908 121 K 4.0470 7.6378 118.3041 59.7317 32.6030 178.5145 122 Q 4.0931 8.5879 119.8149 58.1293 28.8510 177.2554 123 K 3.4938 7.7229 119.7247 57.8559 32.4438 175.1472 124 P 4.6971 0.0000 0.0000 65.2210 32.8252 177.0638 125 E 4.1020 8.0530 117.7321 58.4889 29.2629 179.0313 126 F 4.0498 8.4132 121.2937 61.2609 39.6857 177.0879 127 L 4.2271 7.8261 116.9209 57.0493 41.1109 179.4695 128 K 4.1003 7.7531 118.1474 58.8979 32.2655 178.3889 129 T 4.1729 7.8337 109.1366 62.8134 69.0921 176.9107 130 I 3.6876 7.1666 122.6315 63.9032 36.9804 176.2788 131 P 4.4267 0.0000 0.0000 64.9527 31.1466 178.1437 132 E 3.9613 8.0702 118.2600 58.7315 29.4608 178.2843 133 K 3.7913 7.5259 117.2851 59.9505 32.2668 178.7672 134 M 3.9585 7.8979 117.3120 58.1461 32.0767 178.3107 135 K 3.3600 7.8693 119.8892 59.2096 32.2534 178.7167 136 L 4.0397 7.6831 116.0072 56.0073 41.7780 178.7844 *138 S 4.2714 7.9228 114.7022 58.4575 63.9439 175.8054 139 E 4.0050 8.3068 118.3991 59.1468 29.1548 178.7953 140 F 4.3256 7.9688 119.8048 61.4152 39.7268 176.7076 141 L 3.4600 7.9959 119.5088 55.1117 41.9992 178.7021 142 G 3.7963 8.1257 105.7409 46.9406 0.0000 174.6402 143 K 4.2485 8.5454 123.1479 55.8449 32.3577 176.7695 144 R 4.0134 7.6568 119.4522 55.2746 30.5407 175.2215 145 P 4.0081 0.0000 0.0000 64.4888 31.3664 176.6375 146 W 5.3052 7.6515 117.0829 54.1529 32.3723 176.2371 147 F 3.8928 9.6587 119.9651 60.4251 38.4902 176.8086 148 A 4.6102 8.5088 121.3761 51.7633 20.7312 178.9404 149 G 4.3199 6.7140 104.2373 46.9101 0.0000 175.7353 150 D 4.6211 8.7756 123.9295 55.3447 41.2582 176.2353 151 K 4.6176 7.8194 117.7643 54.4829 34.4499 176.4240 152 V 3.4368 7.6556 121.8935 63.2263 33.7588 174.7705 153 T 4.7108 9.0331 116.2121 62.1572 70.1027 177.2323 *155 V 4.1965 8.8844 118.1528 60.8976 33.6415 176.8526 156 D 4.5956 8.3385 119.7499 57.0695 40.6377 178.1469 157 F 3.8015 8.3808 117.2654 60.5115 39.2760 177.2019 158 L 4.1635 7.9935 117.6456 57.6075 41.4745 179.8364 159 A 3.8723 7.7237 117.0855 52.8886 17.9567 178.5259 *161 D 4.4424 7.9921 120.8829 55.7963 43.0185 177.8015 162 I 3.7075 7.8346 118.2579 64.3039 37.0938 178.1512 163 L 4.1679 7.7539 118.3881 57.9373 41.7561 178.6207 164 D 4.6576 8.1838 117.3981 57.4282 41.1117 178.6284 165 Q 4.3981 8.2179 117.2892 57.0293 28.7720 177.2427 *167 H 4.8331 8.1067 118.1528 55.8810 31.6337 175.0166 168 I 3.8143 8.1649 118.9986 64.5858 37.2611 177.4620 169 F 3.7574 8.4131 121.2342 60.3173 39.6600 175.1194 170 E 4.4840 8.0073 121.0431 52.7499 29.4555 173.3357 171 P 4.3811 0.0000 0.0000 64.5322 32.0432 177.3951 172 K 4.9138 9.3276 116.3999 57.0235 33.2849 178.2554 173 C 3.6565 8.1041 115.0926 60.5711 29.5216 174.5020 174 L 4.9578 7.8282 117.9340 54.5307 43.1629 177.7589 175 D 4.3417 8.9542 120.3089 57.2143 40.8410 178.2719 176 A 3.9146 7.5842 119.6976 53.3476 18.9852 177.4659 177 F 4.9752 7.4742 115.3615 54.0827 39.0984 173.7579 178 P 4.3272 0.0000 0.0000 65.4920 31.4562 177.4014 179 N 4.3077 8.2693 115.2944 56.0977 36.9829 177.1011 180 L 4.2352 8.1768 121.0641 57.2718 41.7039 179.3610 181 K 4.1673 7.9853 118.1601 59.1261 32.1614 178.8887 182 D 4.3638 8.3647 119.6771 57.0479 40.6942 178.4218 183 F 4.0980 8.2571 121.1988 61.3443 39.3635 176.8786 184 L 3.6639 7.7945 118.0261 58.0009 41.5951 179.6027 185 A 4.1116 7.9329 120.3368 55.1525 18.0550 179.7073 186 R 3.8527 7.9888 116.9320 59.3376 30.5278 178.2674 187 F 4.4461 8.6331 120.9446 61.3485 39.2065 177.1147 188 E 4.1195 8.4653 117.4703 59.2203 29.2365 179.2888 189 G 3.7534 7.7854 105.0063 46.0025 0.0000 174.3106 190 L 3.8356 7.1935 120.4211 55.0151 42.5985 177.6594 191 K 3.8057 9.1257 125.1591 59.5065 32.0380 178.6014 192 K 3.9847 7.8613 115.3144 59.2605 33.1067 178.3574 193 I 3.8016 7.5043 120.2101 64.5885 37.2182 177.3191 194 S 4.2037 8.2801 114.3913 61.8794 62.7278 176.6085 195 A 4.1430 7.3799 117.2845 53.2316 17.2896 178.9131 *197 M 4.3774 7.9665 119.8808 56.4365 33.7994 176.6548 198 K 4.4110 8.0705 116.3665 56.0045 32.6345 177.0261 199 S 4.4071 7.7147 114.3377 57.7034 63.8710 174.4922 200 S 4.2794 8.7125 117.6694 61.5699 62.8259 177.2393 201 R 3.9308 7.8505 116.7643 55.7113 28.3575 176.9578 *203 L 4.1017 7.7542 119.0116 55.0119 41.7989 176.7588 204 S 4.1437 8.3101 117.0493 61.0462 62.9490 175.6667 205 T 4.4268 7.5932 113.6244 58.6961 69.5330 171.0079 206 P 4.8126 0.0000 0.0000 60.4276 32.9152 175.6898 207 I 3.4624 8.0223 123.8099 63.5368 37.2278 175.5479 208 F 5.0979 7.1633 113.1598 54.9865 40.8003 176.1534 209 S 4.7897 8.2419 118.4213 57.9000 63.1825 176.2411 210 K 4.4732 8.6165 114.6835 59.2756 31.9973 178.9222 211 L 3.7785 7.9844 116.5452 57.3246 41.7351 177.8715 212 A 2.8257 6.8524 120.3028 52.3465 18.7555 177.3875 213 Q 3.5879 8.5730 121.3328 57.3826 29.1522 176.5880 214 W 4.1391 6.6230 130.1752 56.8958 31.1793 173.9997 215 S 3.3554 7.8837 121.4192 58.4422 58.6886 167.9792 216 N 5.5230 7.2386 118.5881 51.3684 38.4228 176.4848 217 K 4.0582 7.5762 123.7859 57.8704 33.2335 176.0897 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 1 P 0.00 4.37 0.00 2.19 2.14 0.00 3.72 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 2.00 1.99 0.00 2 M 8.11 4.35 0.00 2.04 2.02 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 2.78 2.58 0.00 3 I 9.21 4.65 1.86 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 1.10 0.99 0.89 0.00 0.00 4 L 8.59 4.84 0.00 1.75 1.47 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.45 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *7 W 8.38 5.11 0.00 3.39 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 8 N 8.95 4.89 0.00 2.86 3.00 0.00 0.00 5.80 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.29 4.54 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 0.78 0.00 0.00 0.96 0.00 0.00 10 R 8.29 3.88 0.00 1.84 1.94 0.00 2.86 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 11 G 7.81 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 0.00 0.00 0.00 0.00 12 L 8.51 4.18 0.00 1.62 1.71 0.89 0.76 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 13 T 7.58 4.26 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 1.22 0.00 0.00 14 H 7.97 4.20 0.00 3.29 3.59 0.00 5.60 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.53 0.00 2.45 2.45 0.00 3.58 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 16 I 7.55 3.70 2.00 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 1.62 0.54 0.88 0.00 0.00 17 R 8.28 3.96 0.00 1.90 2.01 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 18 L 7.86 4.15 0.00 2.16 2.29 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.61 3.32 0.00 1.67 1.49 0.69 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.05 4.22 0.00 1.88 1.69 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.17 4.34 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 2.56 2.48 0.00 *23 T 7.82 4.02 3.57 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 0.93 0.00 0.00 24 D 8.08 4.35 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 25 S 8.98 4.37 0.00 3.83 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 26 S 8.29 4.43 0.00 3.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 E 8.37 4.40 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 29 E 8.67 4.91 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 30 K 9.46 4.38 0.00 1.69 1.71 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.39 7.81 31 R 7.97 4.16 0.00 1.86 1.92 0.00 3.45 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 *33 A 8.29 4.19 1.42 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 0.00 0.00 34 M 8.70 4.65 0.00 1.57 0.86 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 35 G 10.04 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 36 D 8.40 4.90 0.00 2.67 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 37 A 8.25 4.54 1.20 0.00 0.00 0.00 0.00 0.00 0.00 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3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.95 4.71 0.00 2.94 3.01 0.00 0.00 7.20 7.57 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 0.00 117 P 0.00 4.24 0.00 2.13 2.09 0.00 4.04 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 2.06 2.04 0.00 118 D 8.45 4.70 0.00 2.73 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 0.00 119 F 9.80 3.53 0.00 3.16 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.74 3.80 0.00 2.11 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 2.44 2.36 0.00 121 K 7.64 4.05 0.00 1.92 1.83 0.00 2.00 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 122 Q 8.59 4.09 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 123 K 7.72 3.49 0.00 1.01 1.66 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.12 7.81 124 P 0.00 4.70 0.00 2.27 2.23 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 125 E 8.05 4.10 0.00 2.02 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 0.00 2.40 2.31 0.00 126 F 8.41 4.05 0.00 3.06 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 0.00 127 L 7.83 4.23 0.00 1.89 1.79 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.75 4.10 0.00 1.99 1.84 0.00 1.58 0.00 0.00 1.92 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 129 T 7.83 4.17 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 130 I 7.17 3.69 1.91 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.46 0.99 0.00 0.00 131 P 0.00 4.43 0.00 2.24 2.24 0.00 3.75 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 2.14 2.20 0.00 132 E 8.07 3.96 0.00 2.01 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 2.35 2.38 0.00 133 K 7.53 3.79 0.00 1.80 1.80 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.59 7.81 134 M 7.90 3.96 0.00 1.69 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.92 0.00 135 K 7.87 3.36 0.00 2.07 1.92 0.00 1.71 0.00 0.00 2.13 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.55 7.81 136 L 7.68 4.04 0.00 1.80 1.62 0.86 0.82 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 *138 S 7.92 4.27 0.00 3.54 3.80 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 0.00 139 E 8.31 4.00 0.00 2.01 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 2.37 2.54 0.00 140 F 7.97 4.33 0.00 3.05 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 0.00 141 L 8.00 3.46 0.00 0.74 1.28 -0.03 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.13 3.80 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 0.00 0.00 0.00 143 K 8.55 4.25 0.00 1.67 1.77 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 144 R 7.66 4.01 0.00 1.61 2.00 0.00 2.92 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 145 P 0.00 4.01 0.00 1.18 1.79 0.00 3.63 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 1.99 1.91 0.00 146 W 7.65 5.31 0.00 3.71 3.39 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 0.00 147 F 9.66 3.89 0.00 3.26 3.32 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 0.00 148 A 8.51 4.61 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 6.71 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 0.00 0.00 0.00 0.00 150 D 8.78 4.62 0.00 2.76 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 0.00 151 K 7.82 4.62 0.00 1.87 1.84 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.38 7.81 152 V 7.66 3.44 1.64 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 0.46 0.00 0.00 -0.92 0.00 0.00 153 T 9.03 4.71 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 *155 V 8.88 4.20 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 0.84 0.00 0.00 1.08 0.00 0.00 156 D 8.34 4.60 0.00 3.01 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 0.00 157 F 8.38 3.80 0.00 3.10 3.26 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 0.00 158 L 7.99 4.16 0.00 1.63 1.67 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.72 3.87 0.68 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 0.00 0.00 *161 D 7.99 4.44 0.00 2.79 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 0.00 162 I 7.83 3.71 1.95 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 1.49 0.87 0.86 0.00 0.00 163 L 7.75 4.17 0.00 1.73 1.84 1.19 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.18 4.66 0.00 2.84 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 8.22 4.40 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.17 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 *167 H 8.11 4.83 0.00 3.49 3.59 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 8.16 3.81 2.33 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 1.47 0.00 0.00 169 F 8.41 3.76 0.00 3.33 3.22 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 0.00 170 E 8.01 4.48 0.00 2.06 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 2.26 2.46 0.00 171 P 0.00 4.38 0.00 2.05 2.09 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 172 K 9.33 4.91 0.00 2.03 2.14 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.36 7.81 173 C 8.10 3.66 0.00 3.19 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 0.00 174 L 7.83 4.96 0.00 1.78 1.75 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.95 4.34 0.00 2.62 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 0.00 176 A 7.58 3.91 0.42 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 0.00 0.00 177 F 7.47 4.98 0.00 3.13 2.94 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 0.00 178 P 0.00 4.33 0.00 2.16 2.12 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 179 N 8.27 4.31 0.00 2.86 3.07 0.00 0.00 6.29 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 8.18 4.24 0.00 2.05 1.89 0.90 0.54 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 0.00 181 K 7.99 4.17 0.00 1.98 1.88 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.59 7.81 182 D 8.36 4.36 0.00 2.80 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 0.00 183 F 8.26 4.10 0.00 3.08 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.79 3.66 0.00 1.87 1.72 0.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 185 A 7.93 4.11 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 0.00 186 R 7.99 3.85 0.00 1.70 1.78 0.00 2.27 0.00 0.00 2.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 187 F 8.63 4.45 0.00 2.68 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 0.00 188 E 8.47 4.12 0.00 2.16 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 2.43 2.56 0.00 189 G 7.79 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.19 3.84 0.00 1.52 1.51 0.43 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 191 K 9.13 3.81 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.45 7.81 192 K 7.86 3.98 0.00 1.87 1.91 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.34 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 193 I 7.50 3.80 1.79 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 1.08 0.36 0.72 0.00 0.00 194 S 8.28 4.20 0.00 3.84 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 0.00 195 A 7.38 4.14 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 *197 M 7.97 4.38 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 198 K 8.07 4.41 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.63 7.81 199 S 7.71 4.41 0.00 3.98 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 0.00 200 S 8.71 4.28 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 R 7.85 3.93 0.00 1.94 2.09 0.00 3.07 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 *203 L 7.75 4.10 0.00 1.65 1.96 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 204 S 8.31 4.14 0.00 4.00 4.08 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 0.00 0.00 0.00 0.00 205 T 7.59 4.43 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 1.17 0.00 0.00 206 P 0.00 4.81 0.00 2.42 2.04 0.00 3.75 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 2.06 1.88 0.00 207 I 8.02 3.46 1.09 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.76 0.00 0.00 208 F 7.16 5.10 0.00 3.03 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 0.00 209 S 8.24 4.79 0.00 3.97 3.86 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 0.00 210 K 8.62 4.47 0.00 1.75 1.81 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.45 1.32 7.81 211 L 7.98 3.78 0.00 1.87 1.95 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 212 A 6.85 2.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 Q 8.57 3.59 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 214 W 6.62 4.14 0.00 3.01 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 0.00 215 S 7.88 3.36 0.00 2.72 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 N 7.24 5.52 0.00 2.89 2.99 0.00 0.00 6.50 6.73 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 0.00 217 K 7.58 4.06 0.00 1.62 1.61 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.