NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.5111 8.1593 117.3953 63.6354 70.1766 174.2108 12 T 4.1525 8.4424 116.9616 60.5115 71.1185 174.1962 13 A 4.5462 8.7317 125.0252 55.1833 18.8685 181.3715 14 T 3.9515 7.9293 107.7806 65.0884 68.9137 176.7470 15 Q 4.0835 8.1166 120.4372 58.5141 28.6423 178.3816 16 R 4.0537 8.0131 119.4253 59.0682 30.1161 178.4811 17 L 4.0407 8.2014 119.0367 57.3168 41.7358 179.3008 18 K 4.0595 8.2635 118.6459 59.8166 32.1873 179.1787 19 Q 4.1083 7.9977 117.6568 59.3233 28.6681 178.8824 20 D 4.5317 8.6686 119.9937 57.1536 40.7394 178.2697 21 Y 4.3945 8.6381 120.5070 60.8429 38.8872 177.5176 22 L 3.8625 7.9462 119.5796 58.0038 41.8235 179.7229 23 R 3.8615 7.9147 117.8322 59.6383 29.7223 178.5052 24 I 3.8357 7.8745 118.2294 63.7440 37.7226 177.9320 25 K 3.9346 7.6776 119.0371 58.9512 31.9302 178.8839 26 K 4.1897 8.0408 119.4276 58.0900 33.4883 176.6025 27 D 4.7178 7.8773 117.1032 51.4774 40.9908 172.5080 28 P 4.6931 0.0000 0.0000 61.8179 32.5779 176.2021 29 V 4.5131 7.8674 112.0445 58.6207 34.2414 174.0036 30 P 4.1175 0.0000 0.0000 64.3930 31.7694 176.7633 31 Y 3.8510 8.4935 118.1601 58.0909 35.7671 168.5050 32 I 5.2902 7.4105 118.6602 59.5458 40.7775 174.4602 33 C 5.1051 9.1576 125.5720 57.5929 34.5752 172.4767 34 A 5.7716 9.0153 126.4123 50.5672 22.1738 174.9659 35 E 4.7155 9.7938 120.0152 53.7516 34.0385 173.5353 36 P 4.3139 0.0000 0.0000 62.1273 32.4351 176.2719 37 L 3.9928 8.5336 122.6670 54.1586 42.0189 176.8719 38 P 4.2336 0.0000 0.0000 64.8743 31.5433 177.1647 39 S 4.5601 7.5023 113.7804 57.5724 63.3079 173.5038 40 N 4.3241 7.7248 116.7207 53.0928 40.3359 174.9452 41 I 3.8507 8.4096 126.8682 63.1646 38.5318 176.3216 42 L 4.5753 8.3753 119.2349 55.8308 42.8260 175.7436 43 E 5.2205 8.5368 121.1908 54.3025 32.3293 174.3132 44 W 5.3082 9.5429 127.3488 55.4576 32.1201 175.1234 45 H 5.4963 9.5195 121.7051 54.8278 31.0518 173.3866 46 Y 5.6734 8.6458 117.6772 55.7830 42.3484 173.9382 47 V 4.7826 8.9390 119.4645 61.2095 35.1485 174.0585 48 V 4.9497 9.1796 128.2528 61.1849 33.5786 174.3272 49 R 4.2769 9.2562 130.1368 55.3652 30.5778 176.2888 50 G 3.8963 8.7369 115.2938 45.7408 0.0000 171.7752 51 P 4.3953 0.0000 0.0000 62.1099 31.8462 176.0108 52 E 4.2920 8.6136 119.9726 57.9336 29.9755 177.2102 53 M 3.6390 9.2104 119.3373 56.3206 30.2805 176.6611 54 T 4.6704 7.0438 107.9514 58.8016 71.8134 173.1165 55 P 4.0731 0.0000 0.0000 65.0316 31.4634 177.1298 56 Y 4.5435 7.2051 115.1701 57.9124 38.2810 175.0229 57 E 4.3843 7.0594 121.1666 57.1979 29.9176 177.1815 58 G 3.9457 9.0812 114.0970 45.1561 0.0000 173.1732 59 G 3.9328 8.3345 107.5163 45.1807 0.0000 172.6532 60 Y 4.9217 7.8463 117.4711 56.1244 41.0672 174.8258 61 Y 4.7458 9.3954 122.0617 56.4670 41.2390 174.1203 62 H 5.0741 9.3141 125.8054 55.7213 31.7169 174.6315 63 G 3.7885 8.2688 111.3399 45.1891 0.0000 171.0703 64 K 5.1798 8.7837 117.2083 55.4489 36.6577 175.0504 65 L 5.1194 9.3061 121.2818 53.0075 44.8991 175.5553 66 I 4.8032 8.6808 124.5957 59.5579 39.8410 174.5409 67 F 4.7931 9.3076 127.3407 55.4677 40.0946 174.5887 68 P 4.5943 0.0000 0.0000 61.8936 32.2990 177.0299 69 R 4.2056 8.7271 119.9935 59.5407 29.9909 177.0423 70 E 4.4517 8.2179 115.1047 56.4372 30.2048 175.9631 71 F 4.6358 8.6223 123.2027 58.1814 40.0416 173.4572 72 P 2.9700 0.0000 0.0000 62.6142 31.2133 177.4368 73 F 4.7157 8.0772 118.3640 58.5932 39.4448 175.9307 74 K 4.4438 7.8662 118.9397 53.4970 35.1705 174.0662 75 P 3.8554 0.0000 0.0000 60.9137 32.1737 173.6609 76 P 4.3923 0.0000 0.0000 62.4928 32.5691 175.5329 77 S 4.4711 8.7068 116.2562 57.4859 64.9524 173.6602 78 I 4.9012 7.5383 122.8003 59.7585 40.3483 174.1373 79 Y 5.0144 9.2328 123.3788 56.4106 42.6601 173.7988 80 M 4.9113 8.6741 121.1860 54.3020 34.8897 175.6737 81 I 4.2497 8.9035 125.4756 63.1729 39.3975 176.9475 82 T 3.5791 7.9065 117.9648 62.1600 68.9007 172.6504 83 P 4.3000 0.0000 0.0000 63.0687 31.7708 175.8029 84 N 4.9836 8.7235 116.6870 51.9918 39.9006 175.5627 85 G 3.9788 8.6604 106.0003 44.6991 0.0000 173.3085 86 R 4.2621 7.8840 118.6571 57.0618 32.3174 175.4853 87 F 5.5068 7.6245 115.0407 55.0678 41.9120 175.4006 88 K 4.2074 9.2128 124.6948 56.6442 32.5807 176.5003 89 C 4.5311 8.8093 124.4408 60.2725 29.6801 173.2392 90 N 4.5571 9.1910 118.6809 54.5087 36.5247 174.3827 91 T 4.8374 7.3040 105.8266 59.2823 71.7601 173.8497 92 R 3.3204 8.5102 122.2860 56.4862 30.5396 176.0824 93 L 4.6436 7.7338 122.2029 53.1197 44.5192 176.8144 94 C 4.4790 7.7848 123.2928 58.5211 31.1745 175.8345 95 L 3.8440 6.8554 122.1918 52.7037 40.3149 176.0472 *105 W 4.5638 7.5796 127.2067 57.0626 32.0476 173.8135 106 N 3.8172 5.8958 124.6825 50.4545 37.9317 173.1809 107 P 4.6730 0.0000 0.0000 64.2321 31.1158 176.9506 108 A 4.1200 7.2426 120.2163 52.2711 19.1574 177.5764 109 W 4.4162 7.2844 117.3832 56.6683 29.5538 177.0700 110 S 4.8760 8.5735 118.5010 57.1943 65.5337 175.1887 111 V 3.6319 8.5484 121.1922 66.2704 30.9759 177.9131 112 S 4.1865 8.2071 114.2836 62.2581 62.6823 176.7922 113 T 3.8255 7.7125 118.0180 66.6178 68.1051 176.7701 114 I 3.6591 7.8223 121.7102 64.3335 37.1651 178.5811 115 L 3.7713 8.0135 119.6502 58.0377 41.5422 179.3901 116 T 3.9670 7.9965 115.8410 66.7695 68.4011 176.6371 117 G 3.5806 8.3149 107.7442 47.7018 0.0000 175.3559 118 L 3.9200 7.9701 122.8434 57.7946 42.0692 178.8883 119 L 3.8849 7.9338 120.2050 58.0737 41.7886 178.6853 120 S 4.0286 7.7760 114.1723 61.9681 62.6573 176.3433 121 F 3.9368 8.2624 122.8182 61.3335 38.8842 176.8124 122 M 3.8684 8.0425 116.9524 58.7904 32.2488 178.4491 123 V 3.9442 7.4009 109.9480 63.9676 32.0643 176.4609 124 E 4.3444 7.6004 116.8134 55.5855 30.8785 175.7876 125 K 4.5043 8.2785 115.4494 56.2785 34.3514 177.1741 126 G 3.9101 8.0443 107.4193 44.9847 0.0000 171.1014 127 P 4.6329 0.0000 0.0000 62.4342 32.6993 175.4480 128 T 4.6677 8.2029 116.5061 61.3861 72.9792 172.9370 129 L 3.9853 8.2829 123.7006 57.1471 42.3025 177.9210 130 G 4.0452 8.9836 113.3230 45.3518 0.0000 173.0389 131 S 5.0408 7.7541 114.5339 58.0561 63.9660 173.6268 132 I 4.6941 8.4923 115.0988 59.2540 40.7324 174.2662 133 E 4.7538 8.6865 122.4897 55.0093 30.9114 175.5570 134 T 4.6786 8.2154 113.6730 58.8793 72.5504 173.7618 135 S 4.4924 8.2164 116.3048 57.9512 65.4393 174.7112 136 D 4.1932 8.3324 121.5727 56.7926 40.6823 178.6918 137 F 4.1851 7.9584 117.8300 59.8812 39.0913 177.8841 138 T 3.9039 7.9945 115.9371 66.5650 68.4058 176.6356 139 K 3.8366 7.9629 120.2653 59.9114 31.9697 179.4975 140 R 3.9131 8.0443 118.0189 59.2434 29.8087 178.9190 141 Q 4.0344 8.0206 119.1189 58.9909 29.1744 177.9469 142 L 3.9987 8.6257 120.1911 57.5583 41.3436 179.4780 143 A 4.1441 7.8213 121.5424 54.7044 18.3929 179.5491 144 V 3.7202 7.6195 116.7622 66.2410 31.6574 178.0558 145 Q 4.2671 8.4744 117.5312 57.9674 28.4862 178.4834 146 S 4.2086 8.0577 115.9703 61.0200 63.0156 176.3975 147 L 3.8510 7.6030 121.1980 57.7571 41.3180 179.2878 148 A 3.9520 7.9223 120.0401 55.0067 18.1709 178.8079 149 F 3.8715 7.9840 118.2258 61.9751 39.7135 176.9164 150 N 4.0870 8.6044 116.0226 56.1359 37.9538 177.5170 151 L 4.0876 7.5005 119.3791 57.2141 41.7679 178.8868 152 K 4.3112 7.4858 116.6266 56.3660 32.4113 176.6904 153 D 4.6128 7.4304 120.2101 52.4777 42.0352 176.4253 154 K 4.0000 8.4955 129.1344 59.3623 32.2968 178.7114 155 V 3.5126 7.8129 118.3618 65.8044 31.4708 177.7489 156 F 4.1277 8.4327 119.8885 61.6900 39.0753 176.7738 157 C 4.2647 8.2032 115.0852 62.7752 27.9787 175.4213 158 E 3.9952 8.3243 120.5376 58.8143 29.2778 178.2044 159 L 3.9329 7.4690 117.8617 55.1950 43.3736 177.0640 160 F 4.9493 7.5019 116.7841 55.2687 39.3615 174.4505 161 P 4.2787 0.0000 0.0000 66.0479 31.5335 178.3451 162 E 4.0212 8.1656 117.8708 59.0631 29.3846 179.1613 163 V 3.6535 7.6260 118.0529 65.4122 31.6089 177.9962 164 V 3.6585 7.8146 118.2472 66.0649 31.3577 177.4308 165 E 3.8658 7.9880 118.4743 59.3097 29.1954 178.1842 166 E 3.9226 8.0452 117.9785 59.5569 29.9709 178.6869 167 I 3.6463 7.9418 119.8854 64.2023 37.1992 178.5766 168 K 3.9492 8.7160 120.0342 59.4987 31.7269 179.4045 169 Q 4.0920 8.0752 116.4035 58.7564 28.4302 178.0257 170 K 4.1586 7.7257 120.8062 58.4564 32.3605 176.3721 171 Q 4.1950 7.7667 122.1663 56.0319 28.7713 175.3901 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 11 T 8.16 4.51 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 1.21 0.00 0.00 12 T 8.44 4.15 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 1.26 0.00 0.00 13 A 8.73 4.55 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.93 3.95 4.29 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 1.27 0.00 0.00 15 Q 8.12 4.08 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 16 R 8.01 4.05 0.00 1.93 2.20 0.00 3.35 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.87 0.00 17 L 8.20 4.04 0.00 1.83 1.95 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.26 4.06 0.00 2.05 1.95 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.76 7.81 19 Q 8.00 4.11 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 20 D 8.67 4.53 0.00 2.79 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 21 Y 8.64 4.39 0.00 3.31 3.24 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 22 L 7.95 3.86 0.00 1.96 1.75 0.98 0.69 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 23 R 7.91 3.86 0.00 2.06 2.21 0.00 3.15 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 1.66 1.67 0.00 24 I 7.87 3.84 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.27 1.17 0.00 0.00 25 K 7.68 3.93 0.00 1.49 1.66 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.75 0.73 7.81 26 K 8.04 4.19 0.00 1.87 2.00 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 27 D 7.88 4.72 0.00 2.61 2.61 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 28 P 0.00 4.69 0.00 2.08 2.00 0.00 3.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 29 V 7.87 4.51 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 1.00 0.00 0.00 0.98 0.00 0.00 30 P 0.00 4.12 0.00 2.16 1.76 0.00 3.78 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 2.07 2.09 0.00 31 Y 8.49 3.85 0.00 3.23 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 32 I 7.41 5.29 1.95 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 1.17 0.72 1.02 0.00 0.00 33 C 9.16 5.11 0.00 3.06 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 34 A 9.02 5.77 1.70 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 0.00 0.00 35 E 9.79 4.72 0.00 1.50 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 36 P 0.00 4.31 0.00 1.53 1.14 0.00 2.93 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.70 0.00 37 L 8.53 3.99 0.00 1.89 1.57 0.95 0.75 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 38 P 0.00 4.23 0.00 2.08 2.05 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 39 S 7.50 4.56 0.00 3.81 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 40 N 7.72 4.32 0.00 2.76 2.66 0.00 0.00 6.87 7.42 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 41 I 8.41 3.85 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 1.60 0.90 0.97 0.00 0.00 42 L 8.38 4.58 0.00 1.94 1.98 1.00 0.82 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 43 E 8.54 5.22 0.00 2.06 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 2.30 2.31 0.00 44 W 9.54 5.31 0.00 3.54 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 45 H 9.52 5.50 0.00 3.26 3.63 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.65 5.67 0.00 3.23 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 47 V 8.94 4.78 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 1.20 0.00 0.00 -0.14 0.00 0.00 48 V 9.18 4.95 2.35 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 0.84 0.00 0.00 1.02 0.00 0.00 49 R 9.26 4.28 0.00 1.82 1.96 0.00 3.31 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.00 50 G 8.74 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.40 0.00 1.97 1.50 0.00 3.48 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.72 0.00 52 E 8.61 4.29 0.00 2.13 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 2.44 2.44 0.00 53 M 9.21 3.64 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 54 T 7.04 4.67 4.30 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 1.19 0.00 0.00 55 P 0.00 4.07 0.00 1.23 1.74 0.00 3.30 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 56 Y 7.21 4.54 0.00 3.00 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 57 E 7.06 4.38 0.00 2.13 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 2.34 2.25 0.00 58 G 9.08 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 59 G 8.33 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 60 Y 7.85 4.92 0.00 2.69 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 61 Y 9.40 4.75 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.31 5.07 0.00 3.50 3.32 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.27 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 0.00 0.00 0.00 64 K 8.78 5.18 0.00 1.80 1.50 0.00 0.99 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.13 1.31 7.81 65 L 9.31 5.12 0.00 1.51 0.85 0.95 0.71 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 66 I 8.68 4.80 1.94 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 1.22 0.74 0.93 0.00 0.00 67 F 9.31 4.79 0.00 2.88 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 68 P 0.00 4.59 0.00 2.50 2.20 0.00 3.89 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 2.22 2.08 0.00 69 R 8.73 4.21 0.00 1.83 2.10 0.00 3.34 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 70 E 8.22 4.45 0.00 2.23 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 2.43 2.43 0.00 71 F 8.62 4.64 0.00 3.26 3.06 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 72 P 0.00 2.97 0.00 1.66 1.18 0.00 3.15 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.39 0.00 73 F 8.08 4.72 0.00 3.21 3.15 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 74 K 7.87 4.44 0.00 1.73 1.58 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.45 7.81 75 P 0.00 3.86 0.00 1.46 0.49 0.00 3.38 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.32 0.00 76 P 0.00 4.39 0.00 1.32 0.49 0.00 3.54 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 1.69 1.65 0.00 77 S 8.71 4.47 0.00 3.80 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.54 4.90 1.69 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 1.14 0.77 0.71 0.00 0.00 79 Y 9.23 5.01 0.00 2.72 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 80 M 8.67 4.91 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.81 0.00 81 I 8.90 4.25 1.99 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 1.21 0.68 1.11 0.00 0.00 82 T 7.91 3.58 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 1.10 0.00 0.00 83 P 0.00 4.30 0.00 1.83 1.89 0.00 2.40 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 84 N 8.72 4.98 0.00 2.39 2.77 0.00 0.00 6.47 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.66 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 0.00 0.00 0.00 86 R 7.88 4.26 0.00 1.79 1.38 0.00 2.88 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 87 F 7.62 5.51 0.00 2.92 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 88 K 9.21 4.21 0.00 1.75 1.86 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.46 7.81 89 C 8.81 4.53 0.00 2.96 2.87 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 90 N 9.19 4.56 0.00 2.85 2.90 0.00 0.00 6.74 7.33 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 91 T 7.30 4.84 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 92 R 8.51 3.32 0.00 1.65 1.66 0.00 3.00 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.38 0.00 93 L 7.73 4.64 0.00 1.12 1.02 0.20 0.63 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 94 C 7.78 4.48 0.00 2.72 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 95 L 6.86 3.84 0.00 1.43 0.95 0.36 0.47 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 *105 W 7.58 4.56 0.00 3.47 3.14 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 0.00 106 N 5.90 3.82 0.00 1.44 1.42 0.00 0.00 6.91 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 0.00 107 P 0.00 4.67 0.00 1.91 2.01 0.00 3.02 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 108 A 7.24 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.28 4.42 0.00 3.07 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 0.00 110 S 8.57 4.88 0.00 4.11 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 0.00 111 V 8.55 3.63 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 0.92 0.00 0.00 0.21 0.00 0.00 112 S 8.21 4.19 0.00 3.94 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 0.00 113 T 7.71 3.83 4.33 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 0.83 0.00 0.00 114 I 7.82 3.66 2.10 0.00 0.00 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 1.83 0.92 0.90 0.00 0.00 115 L 8.01 3.77 0.00 1.69 1.62 1.08 0.18 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 0.00 116 T 8.00 3.97 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 1.20 0.00 0.00 117 G 8.31 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.97 3.92 0.00 1.58 1.66 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.93 3.88 0.00 1.76 1.75 0.74 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.78 4.03 0.00 4.09 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 0.00 121 F 8.26 3.94 0.00 3.42 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 0.00 122 M 8.04 3.87 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.72 0.00 123 V 7.40 3.94 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 0.71 0.00 0.00 0.95 0.00 0.00 124 E 7.60 4.34 0.00 2.02 1.77 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 2.22 2.25 0.00 125 K 8.28 4.50 0.00 1.65 1.76 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.35 7.81 126 G 8.04 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 0.00 127 P 0.00 4.63 0.00 2.22 2.09 0.00 3.54 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 2.00 2.12 0.00 128 T 8.20 4.67 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 0.78 0.00 0.00 129 L 8.28 3.99 0.00 1.65 1.55 0.88 0.91 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 0.00 130 G 8.98 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 0.00 0.00 0.00 131 S 7.75 5.04 0.00 4.01 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 0.00 132 I 8.49 4.69 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 1.26 0.84 0.93 0.00 0.00 133 E 8.69 4.75 0.00 1.85 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 2.21 2.27 0.00 134 T 8.22 4.68 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 1.23 0.00 0.00 135 S 8.22 4.49 0.00 4.19 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 0.00 136 D 8.33 4.19 0.00 2.28 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 0.00 0.00 0.00 0.00 137 F 7.96 4.19 0.00 3.08 3.10 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 0.00 138 T 7.99 3.90 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 1.22 0.00 0.00 139 K 7.96 3.84 0.00 1.68 1.52 0.00 1.26 0.00 0.00 1.00 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.57 7.81 140 R 8.04 3.91 0.00 1.97 1.96 0.00 2.90 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 141 Q 8.02 4.03 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 142 L 8.63 4.00 0.00 1.91 1.98 0.95 0.99 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 0.00 143 A 7.82 4.14 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.62 3.72 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 1.05 0.00 0.00 1.03 0.00 0.00 145 Q 8.47 4.27 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 146 S 8.06 4.21 0.00 4.06 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 0.00 147 L 7.60 3.85 0.00 1.75 1.72 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.92 3.95 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 0.00 149 F 7.98 3.87 0.00 3.18 3.25 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 0.00 150 N 8.60 4.09 0.00 2.13 1.42 0.00 0.00 7.16 6.29 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 0.00 151 L 7.50 4.09 0.00 1.58 1.70 0.89 0.99 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 0.00 152 K 7.49 4.31 0.00 1.59 1.69 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.48 7.81 153 D 7.43 4.61 0.00 2.52 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 0.00 154 K 8.50 4.00 0.00 1.84 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.48 7.81 155 V 7.81 3.51 2.28 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 0.84 0.00 0.00 0.92 0.00 0.00 156 F 8.43 4.13 0.00 3.09 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 0.00 157 C 8.20 4.26 0.00 3.19 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 0.00 158 E 8.32 4.00 0.00 1.89 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 2.19 2.24 0.00 159 L 7.47 3.93 0.00 0.60 0.60 0.60 0.57 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 0.00 160 F 7.50 4.95 0.00 2.32 2.56 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 0.00 0.00 0.00 0.00 161 P 0.00 4.28 0.00 2.23 2.27 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 162 E 8.17 4.02 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 163 V 7.63 3.65 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 1.11 0.00 0.00 0.96 0.00 0.00 164 V 7.81 3.66 2.28 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 0.98 0.00 0.00 1.10 0.00 0.00 165 E 7.99 3.87 0.00 2.21 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 0.00 2.31 2.48 0.00 166 E 8.05 3.92 0.00 2.19 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 0.00 2.47 2.45 0.00 167 I 7.94 3.65 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.18 0.80 0.00 0.00 168 K 8.72 3.95 0.00 1.85 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.60 7.81 169 Q 8.08 4.09 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 170 K 7.73 4.16 0.00 2.00 2.07 0.00 2.06 0.00 0.00 1.90 0.00 0.00 3.45 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.56 7.81 171 Q 7.77 4.19 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.32 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.