NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6568 8.4249 119.2031 53.6621 41.1100 175.4463 6 T 4.1658 8.4003 114.8619 62.3285 70.5232 174.6484 7 D 4.3932 9.3737 126.6010 59.2074 40.2973 179.8758 8 T 4.0564 7.9117 116.9342 66.5980 68.6037 176.4081 9 E 3.9847 8.1024 119.8248 59.5258 29.6505 179.0489 10 N 4.3988 8.4131 116.6271 56.1087 38.5103 177.6678 11 I 3.7159 7.9200 121.5373 64.4924 37.2428 178.4996 12 S 4.1342 8.1264 116.0030 61.7131 62.6360 176.5265 13 E 4.0177 8.1032 121.5376 58.8859 29.2550 178.6666 14 L 3.6977 7.7876 120.2710 58.0564 42.1228 178.9736 15 L 4.1559 8.3038 119.3610 57.8788 41.6092 179.6626 16 K 4.0278 8.5877 118.8092 59.7621 32.0352 179.6284 17 T 3.9960 7.8773 116.1203 66.8446 68.3814 176.5347 18 Y 4.4722 8.2691 119.0786 60.8115 37.8440 178.4084 19 W 4.1227 8.7878 129.6821 60.5749 30.8552 178.0358 20 S 4.0577 8.6054 113.1530 61.4602 61.7687 176.2141 21 I 3.7789 7.8262 122.3522 64.3381 36.7630 178.2304 22 Q 3.8770 8.0975 120.6052 58.9217 28.9585 178.1438 23 R 3.5700 7.5413 119.8941 59.2671 30.0809 178.5892 24 I 3.6410 7.6405 119.6299 64.5365 37.1290 178.6084 25 S 4.3265 8.3420 115.9799 61.5056 62.6041 176.6601 26 A 4.0761 8.1890 123.9222 54.8818 18.0416 179.7517 27 G 3.4310 7.8142 103.9524 48.3696 0.0000 175.5803 28 Y 4.1447 7.7019 118.4238 60.2305 37.7737 178.3256 29 A 4.0410 8.0396 122.2037 55.1218 18.4227 179.3439 30 D 4.2362 8.1157 117.3809 57.5830 40.8954 179.0179 31 Q 3.6739 7.6210 118.0334 58.7832 28.4021 178.3863 32 N 4.3402 7.8242 116.4121 56.6410 39.3007 176.2627 33 A 4.1125 8.3392 122.2235 55.2734 18.4866 179.2628 34 A 3.9308 8.0678 119.5098 55.5029 18.2034 179.9869 35 S 4.2639 7.9684 111.1039 60.6831 63.2533 175.6210 36 L 4.4743 7.7340 120.8318 54.0371 41.8403 177.2639 37 G 3.9342 7.8570 107.0942 45.5717 0.0000 173.3299 38 L 4.9898 7.5063 117.7768 52.3484 45.0446 176.9693 39 T 4.2984 8.5706 112.3090 61.0572 71.2013 176.0261 40 I 3.7600 8.3128 124.3444 65.2385 36.8323 179.3338 41 Q 4.0301 7.9387 120.0125 60.2561 28.1014 180.0807 42 Q 4.3581 7.7988 119.1416 58.9128 29.0206 178.8233 43 L 4.1757 8.0572 119.6108 57.5430 41.6292 179.8997 44 A 4.1128 8.3102 117.3625 53.0512 18.0655 179.1024 *46 I 4.0643 7.6732 122.7223 62.9548 39.3869 178.1054 47 N 4.4728 8.4977 117.9945 56.1488 38.0120 177.6683 48 V 3.6455 7.5895 118.9705 66.1909 31.5492 177.9361 49 I 3.9258 7.7585 119.0473 64.3133 36.7990 177.5813 50 Y 4.2649 8.0953 120.2467 60.1181 38.7481 177.2522 51 S 4.4668 7.7894 111.7072 58.4269 65.3644 174.5941 52 T 4.6602 7.4082 119.0012 61.4368 69.3443 171.6448 53 P 4.4005 0.0000 0.0000 64.2611 32.2167 177.8277 54 G 3.9210 8.9753 110.0179 45.0179 0.0000 173.6552 55 I 3.7415 7.4541 120.5349 61.0914 38.7494 175.3691 56 S 4.9733 8.3122 121.0188 57.6500 65.6508 175.5329 57 V 3.5690 8.5440 122.5985 65.9741 30.7537 178.2542 58 A 3.9924 7.9647 120.1298 55.5004 18.2151 179.2394 59 D 4.3545 8.1524 117.2582 57.0299 40.8933 178.7668 60 L 3.9512 8.0967 121.1308 58.3933 42.0769 179.0969 61 T 3.9321 8.0838 118.1076 67.3780 67.9257 177.4427 62 K 4.0717 7.7822 124.8766 59.6296 31.4945 180.9881 63 R 4.1593 8.2118 119.1258 59.0552 30.1395 177.9072 64 L 4.2637 7.9885 116.2233 54.0393 42.3430 176.4521 65 I 3.2230 7.3065 117.8633 62.6242 34.9126 172.6583 66 I 4.5804 7.4967 112.2885 59.0224 40.6484 174.7617 67 T 4.3222 7.8828 115.9229 62.8539 69.0216 176.4164 68 G 3.8833 8.6349 109.4795 46.0663 0.0000 174.7949 69 S 4.6204 7.7717 116.5797 59.9640 64.4691 176.3661 70 S 4.1782 7.9317 117.0851 60.7904 62.9015 176.2554 71 A 3.9445 8.2286 124.3409 54.9858 18.2871 179.4557 72 A 3.9416 7.9882 118.6546 55.1408 18.3593 179.6156 73 A 3.9440 8.0989 119.3561 55.4673 18.4969 179.6920 74 N 4.3255 8.3567 115.1314 56.2798 38.5754 177.9170 75 V 3.6450 8.3630 122.6930 66.6132 31.5638 178.3808 76 D 4.5118 8.1008 120.8201 58.5372 39.6281 180.7587 77 G 3.7789 7.9402 107.1959 47.5887 0.0000 175.9083 78 L 4.1059 7.9968 121.2254 57.4399 41.5721 179.6415 79 I 3.9270 7.9258 120.1053 64.3232 36.8288 178.4376 80 S 4.1486 8.0129 115.3770 61.5561 62.8089 176.1854 81 L 4.2939 7.8925 118.9547 54.6647 41.5867 177.3368 82 G 3.8894 7.7337 106.9536 46.6472 0.0000 174.8654 83 L 4.3773 8.1791 121.9559 55.3912 42.5268 177.0179 84 V 5.0608 7.4744 109.3231 59.5450 35.9589 175.4119 85 V 4.5875 8.8022 115.2665 59.4666 35.5210 175.2892 86 K 4.6219 8.6722 122.9230 56.4587 32.3485 176.7900 87 L 4.4136 8.8892 125.7136 56.2429 43.6859 177.1063 *95 S 4.1009 7.9176 116.6237 58.5838 63.6218 179.1267 *97 D 4.6907 8.3650 114.3106 53.9029 41.7492 172.3585 98 L 4.2573 7.6136 121.2870 56.5883 43.1192 175.8393 99 T 5.1663 8.5533 115.3730 60.0631 71.7529 173.0072 100 L 5.4886 8.8507 122.7905 53.0778 46.5075 175.4268 101 K 5.0124 8.5616 118.9330 55.1079 36.5486 175.5583 102 L 4.7916 8.5448 120.6585 54.6572 43.0253 177.8081 103 S 4.5967 8.5067 117.0499 57.2184 66.3523 174.9700 104 K 3.9521 8.3977 120.9814 59.6275 31.9569 178.6228 105 K 4.1912 8.0879 119.7006 59.4454 32.1758 178.8785 106 G 3.6056 7.9850 105.6535 47.6243 0.0000 175.5741 107 E 3.6428 8.1521 120.8507 59.2091 29.5465 178.7814 108 D 4.3098 7.9465 118.8422 57.8105 41.0132 179.4188 109 L 3.9867 7.7646 118.7308 57.5651 41.3311 179.5876 110 S 3.9610 7.8237 113.3044 61.2033 62.2383 176.3130 111 K 3.8606 8.2076 121.5182 59.6220 31.5971 179.5672 112 R 3.9665 7.8791 116.9821 58.6479 29.9885 178.8102 113 S 4.3380 7.6105 113.6507 61.0599 63.2110 176.3489 114 T 4.2057 7.4889 112.4764 63.5952 70.1459 175.6795 115 A 4.3236 7.6692 126.6712 50.2302 17.0501 174.7014 116 N 4.5519 8.2768 116.6534 52.4670 38.7813 174.3178 117 A 4.0604 8.6980 130.2012 55.3831 18.7660 179.4997 118 F 4.1647 8.3875 112.2078 58.4873 38.4484 177.0221 *120 Y 4.1077 8.1434 122.2227 58.6312 39.5274 177.5920 121 K 4.0234 8.0575 119.4712 57.4981 32.4822 179.8343 122 A 4.2525 7.4237 123.9648 52.1604 15.8931 177.5825 *125 K 4.2884 7.8782 121.7270 55.7398 35.0228 179.0766 126 V 3.7703 7.7595 118.1752 65.9519 31.9223 178.1423 127 F 4.3734 8.4940 120.5299 61.0680 38.9622 177.8599 128 E 4.1137 7.7966 114.8408 58.2148 29.5523 181.0462 129 N 4.9728 8.1407 112.7271 53.1233 38.8968 174.4351 130 L 4.9203 7.4432 117.9312 52.6561 44.9598 177.0982 131 T 4.3430 9.1503 115.1936 61.7320 71.2467 176.5796 132 E 3.9215 8.4795 120.4782 61.2793 29.7640 179.1975 133 N 4.5738 8.0243 116.3807 56.1973 38.5762 177.2975 134 E 3.9535 8.0461 120.2283 59.1767 29.5553 179.2302 135 I 3.4087 7.7766 122.3378 64.9564 37.1430 178.8753 136 E 3.9728 7.9299 118.8469 61.3234 29.5628 180.9073 137 E 4.1918 8.2278 119.8944 58.8891 29.4629 179.2533 138 L 3.9520 8.1138 120.6209 58.3213 42.2214 179.1853 139 I 3.7768 7.8273 119.7701 64.2913 37.1254 178.5001 140 R 3.9364 8.0050 119.6902 59.2098 29.9347 178.6521 141 L 3.9974 8.5160 119.1152 57.9473 41.6523 179.0163 142 N 4.4325 8.1331 116.3951 56.5387 38.5122 177.5952 143 K 3.9525 8.2416 119.6706 59.2908 31.9931 179.3372 144 K 4.3191 7.9084 121.0788 58.6957 32.1240 179.1593 145 V 3.5881 7.9990 118.7177 65.9219 31.3676 177.4998 146 E 3.9332 8.4473 119.5777 59.5223 29.5039 178.9999 147 T 3.8872 8.0642 109.6998 64.9099 69.0545 176.6020 148 L 4.0180 8.1751 122.3790 57.2777 41.3871 179.4252 149 L 4.0259 7.8073 118.0014 57.8185 41.7273 179.4232 150 K 4.1838 7.7839 116.0695 57.8078 32.0386 177.3115 151 K 4.1955 7.6538 123.5086 56.3767 32.3145 175.8601 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 5 N 8.42 4.66 0.00 2.67 2.91 0.00 0.00 7.06 6.82 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 6 T 8.40 4.17 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 1.24 0.00 0.00 7 D 9.37 4.39 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.91 4.06 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 E 8.10 3.98 0.00 2.15 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 2.39 2.39 0.00 10 N 8.41 4.40 0.00 2.89 2.85 0.00 0.00 7.03 6.74 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 11 I 7.92 3.72 2.01 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 1.54 0.71 0.93 0.00 0.00 12 S 8.13 4.13 0.00 4.01 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 13 E 8.10 4.02 0.00 2.22 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 2.33 0.00 14 L 7.79 3.70 0.00 1.81 1.73 0.41 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.30 4.16 0.00 1.72 1.78 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.59 4.03 0.00 1.80 1.89 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.65 7.81 17 T 7.88 4.00 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 18 Y 8.27 4.47 0.00 3.21 2.89 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 19 W 8.79 4.12 0.00 3.55 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.61 4.06 0.00 4.27 4.11 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 21 I 7.83 3.78 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.96 0.00 0.00 22 Q 8.10 3.88 0.00 2.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 23 R 7.54 3.57 0.00 1.05 1.64 0.00 3.01 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 24 I 7.64 3.64 2.05 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 1.50 0.82 1.07 0.00 0.00 25 S 8.34 4.33 0.00 4.02 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 26 A 8.19 4.08 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 27 G 7.81 3.43 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 0.00 28 Y 7.70 4.14 0.00 3.22 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.04 4.04 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 30 D 8.12 4.24 0.00 2.86 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 31 Q 7.62 3.67 0.00 1.71 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 32 N 7.82 4.34 0.00 3.13 3.07 0.00 0.00 7.25 7.56 0.00 0.00 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 A 8.34 4.11 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 34 A 8.07 3.93 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 35 S 7.97 4.26 0.00 4.25 4.21 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 0.00 0.00 0.00 0.00 36 L 7.73 4.47 0.00 1.79 1.75 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.86 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 38 L 7.51 4.99 0.00 1.59 1.54 0.91 0.93 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 39 T 8.57 4.30 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 40 I 8.31 3.76 1.86 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 1.47 0.75 0.90 0.00 0.00 41 Q 7.94 4.03 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 42 Q 7.80 4.36 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 43 L 8.06 4.18 0.00 1.85 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.31 4.11 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 *46 I 7.67 4.06 1.99 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 1.42 0.81 0.88 0.00 0.00 47 N 8.50 4.47 0.00 2.74 2.92 0.00 0.00 6.70 7.32 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 48 V 7.59 3.65 2.10 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 0.85 0.00 0.00 1.01 0.00 0.00 49 I 7.76 3.93 2.05 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 1.55 0.72 0.95 0.00 0.00 50 Y 8.10 4.26 0.00 2.98 3.19 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 0.00 0.00 0.00 0.00 51 S 7.79 4.47 0.00 4.04 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 52 T 7.41 4.66 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 1.20 0.00 0.00 53 P 0.00 4.40 0.00 2.16 2.04 0.00 3.71 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 1.95 1.90 0.00 54 G 8.98 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 0.00 0.00 0.00 55 I 7.45 3.74 2.05 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 1.36 1.33 0.92 0.00 0.00 56 S 8.31 4.97 0.00 4.09 3.97 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 57 V 8.54 3.57 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 1.00 0.00 0.00 1.00 0.00 0.00 58 A 7.96 3.99 1.33 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 0.00 0.00 59 D 8.15 4.35 0.00 2.72 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 60 L 8.10 3.95 0.00 1.89 1.89 0.93 0.70 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 61 T 8.08 3.93 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 62 K 7.78 4.07 0.00 1.78 1.81 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 63 R 8.21 4.16 0.00 1.92 2.20 0.00 3.27 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 64 L 7.99 4.26 0.00 1.67 1.70 0.93 0.80 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 65 I 7.31 3.22 1.88 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 1.36 0.36 0.92 0.00 0.00 66 I 7.50 4.58 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 1.44 0.67 0.97 0.00 0.00 67 T 7.88 4.32 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 1.21 0.00 0.00 68 G 8.63 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 69 S 7.77 4.62 0.00 4.04 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 70 S 7.93 4.18 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.23 3.94 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 72 A 7.99 3.94 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 73 A 8.10 3.94 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 74 N 8.36 4.33 0.00 3.02 2.88 0.00 0.00 6.69 7.22 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 75 V 8.36 3.64 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 0.99 0.00 0.00 0.96 0.00 0.00 76 D 8.10 4.51 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 77 G 7.94 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 0.00 0.00 0.00 78 L 8.00 4.11 0.00 1.87 1.73 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.93 3.93 2.01 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 0.82 0.91 0.00 0.00 80 S 8.01 4.15 0.00 3.97 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 81 L 7.89 4.29 0.00 1.63 1.71 0.92 0.97 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 82 G 7.73 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 0.00 0.00 0.00 83 L 8.18 4.38 0.00 1.80 1.71 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.47 5.06 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 0.74 0.00 0.00 0.94 0.00 0.00 85 V 8.80 4.59 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 0.86 0.00 0.00 0.98 0.00 0.00 86 K 8.67 4.62 0.00 1.64 1.73 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 87 L 8.89 4.41 0.00 1.57 1.70 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *95 S 7.92 4.10 0.00 3.68 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 *97 D 8.37 4.69 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.61 4.26 0.00 1.76 1.68 0.92 0.88 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 99 T 8.55 5.17 4.37 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 1.32 0.00 0.00 100 L 8.85 5.49 0.00 1.58 1.55 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.56 5.01 0.00 1.82 1.86 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 102 L 8.54 4.79 0.00 1.67 1.68 1.07 0.95 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 0.00 103 S 8.51 4.60 0.00 4.06 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 0.00 104 K 8.40 3.95 0.00 1.90 1.85 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.55 7.81 105 K 8.09 4.19 0.00 1.90 1.78 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.55 7.81 106 G 7.98 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.15 3.64 0.00 2.20 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 2.59 2.65 0.00 108 D 7.95 4.31 0.00 2.85 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 0.00 109 L 7.76 3.99 0.00 1.68 1.68 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.82 3.96 0.00 3.73 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.21 3.86 0.00 1.85 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 112 R 7.88 3.97 0.00 1.76 1.98 0.00 3.12 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 113 S 7.61 4.34 0.00 4.03 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 0.00 114 T 7.49 4.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 115 A 7.67 4.32 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.28 4.55 0.00 2.80 2.91 0.00 0.00 7.24 7.96 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 0.00 117 A 8.70 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.39 4.16 0.00 3.40 3.29 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 *120 Y 8.14 4.11 0.00 2.99 2.99 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 0.00 121 K 8.06 4.02 0.00 1.79 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.26 7.81 122 A 7.42 4.25 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 *125 K 7.88 4.29 0.00 2.03 1.93 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.60 7.81 126 V 7.76 3.77 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 1.11 0.00 0.00 1.02 0.00 0.00 127 F 8.49 4.37 0.00 3.01 3.08 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 0.00 128 E 7.80 4.11 0.00 2.07 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 2.26 2.16 0.00 129 N 8.14 4.97 0.00 2.87 2.87 0.00 0.00 6.78 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.44 4.92 0.00 1.49 1.40 0.86 0.75 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 0.00 131 T 9.15 4.34 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 132 E 8.48 3.92 0.00 2.00 2.00 0.00 0.00 0.00 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 0.00 133 N 8.02 4.57 0.00 2.69 2.86 0.00 0.00 7.17 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.05 3.95 0.00 2.11 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 2.29 2.31 0.00 135 I 7.78 3.41 1.75 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.59 0.41 0.00 0.00 136 E 7.93 3.97 0.00 2.00 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 0.00 2.25 2.23 0.00 137 E 8.23 4.19 0.00 1.96 2.01 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 2.42 2.44 0.00 138 L 8.11 3.95 0.00 1.87 1.89 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.83 3.78 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.94 0.00 0.00 140 R 8.00 3.94 0.00 2.01 1.92 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 141 L 8.52 4.00 0.00 1.74 1.72 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.13 4.43 0.00 2.94 2.94 0.00 0.00 7.10 8.27 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 0.00 143 K 8.24 3.95 0.00 2.13 1.87 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.32 7.81 144 K 7.91 4.32 0.00 2.03 1.94 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.31 7.81 145 V 8.00 3.59 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 1.05 0.00 0.00 1.08 0.00 0.00 146 E 8.45 3.93 0.00 2.04 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 0.00 2.30 2.30 0.00 147 T 8.06 3.89 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 1.25 0.00 0.00 148 L 8.18 4.02 0.00 1.78 1.78 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.81 4.03 0.00 1.80 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.78 4.18 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.66 7.81 151 K 7.65 4.20 0.00 1.88 1.69 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.