NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4224 8.3044 120.3286 54.5794 33.4546 174.5555 2 E 3.7453 8.4311 121.2608 55.2728 30.1169 174.7504 3 A 3.9627 8.8104 128.2014 52.7733 19.8437 176.8653 4 L 3.9330 8.5612 124.4588 57.9814 42.3387 178.0642 5 G 4.0709 9.2994 103.2509 44.8380 0.0000 172.3766 6 A 4.6834 7.2731 118.5771 50.9509 22.4449 175.5555 7 D 4.7488 9.0546 120.3746 53.3431 42.5313 175.9399 8 V 4.6214 8.4219 122.7799 61.4007 34.1693 174.9903 9 T 4.4632 7.8116 123.4830 61.7255 69.2184 174.4751 10 Q 3.9253 8.8286 125.7984 56.8498 28.9550 177.4204 11 G 4.0833 9.0255 109.6440 46.0227 0.0000 172.7725 12 L 5.0821 8.2133 120.1545 52.8939 46.2839 175.0754 13 E 5.0714 8.8103 119.3530 53.9456 34.4781 175.1444 14 K 4.0788 8.5137 122.3812 58.1809 32.4379 177.0635 15 G 4.0060 9.7716 115.7142 45.1650 0.0000 174.0006 16 S 4.3246 7.8659 116.2564 58.6463 64.1954 173.1543 17 L 5.2257 8.4047 122.9995 53.1973 43.2515 175.7258 18 I 4.7359 9.0747 117.2838 59.0351 41.9132 174.4570 19 T 4.3425 8.4819 119.1692 63.4802 69.7291 174.2003 20 C 4.7634 8.4418 126.8352 57.2982 31.5260 174.1224 21 A 4.5081 8.2051 134.7642 50.4666 16.0813 174.7898 22 D 5.0618 7.5356 118.9297 53.0465 42.1374 175.2026 23 N 5.0712 8.4083 114.7682 53.1132 37.6019 175.5349 24 T 3.9747 8.4275 111.1564 63.9351 69.5587 175.3608 25 G 3.9564 8.3537 108.7627 45.0406 0.0000 172.6433 26 A 4.6982 7.4245 123.2157 51.1410 20.3269 176.9351 27 R 4.3958 9.2206 122.4807 57.3417 32.2842 176.3069 28 E 5.0974 8.0312 118.7433 54.1944 33.0000 174.4905 29 L 5.2131 9.2013 125.9827 52.7547 45.6710 175.0885 30 K 4.9468 8.5435 123.5048 54.3688 34.5177 175.3253 31 V 3.9485 8.9200 128.6864 63.4627 31.9998 175.7135 32 I 4.3583 8.5007 128.0022 62.8134 39.0470 175.9369 33 S 4.6947 7.7728 115.1608 57.2217 68.0634 173.1468 34 V 4.5579 8.1947 121.0574 61.0223 33.6165 174.4670 35 H 4.2245 8.9914 128.5862 57.8063 30.0584 175.8825 36 G 3.9345 8.5408 113.1215 45.9759 0.0000 173.0301 37 Y 4.2755 7.6838 120.7202 57.1182 39.5561 174.9470 38 S 4.2285 6.9313 119.9500 57.1714 65.6550 173.2028 39 G 4.1941 7.8611 123.9651 45.1312 0.0000 174.0630 40 T 4.5169 8.2281 119.2163 59.6870 70.2504 172.1763 41 K 3.8866 8.4869 124.9500 58.3547 32.1744 176.8466 42 N 4.5204 8.9901 121.7101 53.6428 37.3304 174.5014 43 R 4.0834 7.8446 119.1511 55.6635 30.5815 175.8248 44 L 4.2213 8.4517 126.1357 53.4863 42.4818 174.9234 45 P 4.4390 0.0000 0.0000 63.1508 31.9893 175.1871 46 K 5.0214 7.8155 122.6581 55.0319 35.1227 175.2181 47 A 4.7562 9.0926 123.0437 50.8372 23.3129 175.4373 48 G 4.3694 9.1616 105.6783 44.6984 0.0000 171.3427 49 L 4.0124 8.5730 121.3408 57.0996 41.9656 177.5862 50 G 4.1489 8.8547 115.2590 45.2330 0.0000 173.2293 51 D 4.7530 8.1092 119.6779 53.9645 42.5213 175.2348 52 K 4.9452 8.6479 122.6546 55.1519 34.2050 175.1952 53 I 5.0946 8.6014 119.7018 59.5177 41.6779 174.1802 54 T 4.8641 8.7539 120.2418 62.8012 70.4579 174.1646 55 V 5.0424 9.3516 124.9600 61.4665 36.1019 173.6315 56 S 5.1426 8.5943 117.4853 56.3517 66.5638 173.4164 57 V 4.3284 8.3558 122.6596 62.8225 31.4765 176.4730 58 T 4.3082 8.5544 126.0892 65.4017 69.5464 175.9303 59 K 4.5368 8.6489 119.5306 53.5839 36.4304 177.4197 60 G 3.7465 8.2466 110.1493 45.9125 0.0000 171.9052 61 T 4.0955 7.7800 110.8960 60.7362 69.6774 173.4674 62 P 4.2120 0.0000 0.0000 66.3514 31.4263 178.4954 63 E 4.0978 8.1029 114.9583 59.4120 29.6340 178.8122 64 M 4.1685 7.6438 117.4443 56.9813 32.4559 177.0070 65 R 4.1667 7.4890 116.6797 58.0175 30.7251 177.4400 66 R 3.9685 8.9493 118.6140 56.7040 29.4008 176.8165 67 Q 4.1803 7.8128 118.2658 55.7510 30.0793 175.3407 68 V 4.5536 8.3003 123.3443 61.7110 32.5713 174.6007 69 L 4.9516 9.1850 127.2679 53.0736 46.6157 175.3039 70 E 4.9476 8.5435 118.4147 55.7473 31.8069 175.3827 71 A 4.9590 8.8603 123.4656 50.9548 23.8900 174.9553 72 V 4.4945 8.3019 117.7160 61.0556 35.0267 174.7072 73 V 4.0829 8.5241 128.5139 63.0909 31.9993 176.2371 74 V 4.1694 8.9274 127.9305 63.5156 34.0238 175.3407 75 R 4.0877 7.4229 117.4958 54.5289 34.8437 173.9925 76 Q 5.0807 8.0943 117.2875 55.5933 31.2569 175.5363 77 R 4.3496 9.1499 120.0266 58.1928 30.5624 177.6715 78 K 4.2037 7.8926 119.0442 55.5019 31.3019 175.3241 79 P 4.9372 0.0000 0.0000 62.9784 32.8432 174.8890 80 I 4.9423 8.5006 113.5444 59.3437 41.6916 173.8096 81 R 4.9915 9.1039 123.7360 54.8309 32.3702 175.2236 82 R 4.7653 8.6560 124.9767 54.0606 32.0462 175.7247 83 P 4.2429 0.0000 0.0000 65.9079 31.4328 176.9166 84 D 4.6302 8.0727 114.8642 53.1281 39.5185 176.4695 85 G 4.0854 8.6300 110.2863 45.9561 0.0000 174.8092 86 T 4.0546 7.5452 115.3727 63.8644 69.4848 173.9361 87 R 5.0905 8.4485 123.6490 54.9430 32.4782 175.8789 88 V 4.5248 8.7297 121.9212 60.9677 34.6782 174.4570 89 K 4.9442 8.3162 125.2169 55.4725 35.7274 175.3686 90 F 4.6879 8.9544 120.5961 55.7465 41.5167 176.5161 91 E 4.1344 9.0191 120.1892 58.8881 29.7132 175.0199 92 D 4.7555 7.7306 115.4946 52.6794 42.5673 173.5959 93 N 5.2894 8.6773 114.4888 51.8812 41.3790 173.9914 94 A 5.1954 8.6735 123.0276 50.8922 23.3622 174.8150 95 A 5.0566 8.9876 120.9102 50.3116 23.7587 175.0976 96 V 4.5673 8.4659 119.0095 60.7191 34.4268 175.1828 97 I 4.2991 8.4296 128.6636 61.7589 38.0084 175.3338 98 V 4.8510 8.6003 125.6500 61.4411 35.1487 174.8965 99 D 4.8096 8.3036 124.9328 51.7588 41.7180 176.3938 100 E 3.8826 8.7560 118.5886 59.1073 29.4964 177.5991 101 N 4.7145 9.2668 114.7751 52.6545 39.0858 174.9946 102 E 3.8035 8.4522 117.1534 56.9687 27.6294 173.6325 103 D 4.8542 8.2016 118.5412 51.1796 42.1967 174.3050 104 P 4.7163 0.0000 0.0000 62.9738 31.6114 176.5317 105 R 3.8899 8.4593 123.3212 58.9687 30.1899 176.8808 106 G 3.9648 7.7367 105.7269 45.2410 0.0000 172.5400 107 T 4.4357 8.5714 113.7522 63.8829 70.2043 174.9158 108 E 4.8341 8.9234 119.8405 54.5070 34.0479 174.7905 109 L 4.9302 8.5189 121.4603 53.1591 44.3104 175.8653 110 K 4.4166 8.6500 121.4245 55.8939 34.1491 177.3820 111 G 3.9344 9.0266 111.2243 43.9318 0.0000 170.4849 112 P 4.9074 0.0000 0.0000 62.6487 32.5479 175.6840 113 I 4.7007 8.4476 120.1134 59.2484 41.6579 174.7514 114 A 4.9548 8.0926 125.5122 51.5926 19.2737 178.9710 115 R 3.9179 9.4444 119.9433 59.7700 29.1973 179.2090 116 E 3.9824 8.2909 118.5310 59.3089 29.3662 179.3837 117 V 3.8035 7.9831 117.9577 65.4333 31.3014 178.0090 118 A 4.0005 7.7312 120.1785 55.5627 18.3605 178.8756 119 Q 3.9299 8.1619 114.0664 59.7618 28.8055 179.4921 120 R 3.8570 7.3841 116.8295 58.0549 31.4563 177.9398 121 F 4.8270 7.8279 120.5571 54.7595 38.9546 176.1181 122 G 3.7562 8.5261 111.9699 47.8966 0.0000 172.4176 123 S 4.1946 8.1111 118.0124 60.3482 61.4056 176.6196 124 V 3.6666 7.7850 121.1901 65.7433 31.3189 177.6646 125 A 4.2896 8.2887 121.0929 54.9126 18.1900 180.2694 126 S 4.6222 8.9016 113.1603 58.2154 63.2586 175.5719 127 A 4.5654 8.7820 123.7095 52.8286 22.1486 177.5307 128 A 4.2172 7.2222 119.1482 52.4528 19.1354 177.6602 129 T 4.2708 8.5472 118.5125 65.4451 69.6207 175.3718 130 M 4.8798 7.8205 119.8709 53.3993 35.7906 174.7802 131 I 4.7934 8.4868 123.1053 59.6557 40.5195 175.5920 132 V 4.0603 8.9684 127.2138 62.8729 31.6060 175.3241 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 M 8.30 4.42 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 2 E 8.43 3.75 0.00 1.94 1.76 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 2.24 2.33 0.00 3 A 8.81 3.96 1.25 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 0.00 0.00 4 L 8.56 3.93 0.00 1.62 1.71 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.30 4.07 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 0.00 0.00 0.00 6 A 7.27 4.68 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 7 D 9.05 4.75 0.00 2.60 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 8 V 8.42 4.62 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 0.84 0.00 0.00 0.96 0.00 0.00 9 T 7.81 4.46 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 1.22 0.00 0.00 10 Q 8.83 3.93 0.00 1.88 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 11 G 9.03 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 0.00 0.00 0.00 12 L 8.21 5.08 0.00 1.64 1.48 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.81 5.07 0.00 1.83 1.85 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 2.17 2.19 0.00 14 K 8.51 4.08 0.00 1.69 1.71 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.56 7.81 15 G 9.77 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 16 S 7.87 4.32 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 17 L 8.40 5.23 0.00 1.50 1.58 0.91 0.75 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 18 I 9.07 4.74 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.88 0.00 0.00 19 T 8.48 4.34 4.47 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 1.19 0.00 0.00 20 C 8.44 4.76 0.00 2.98 3.02 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 0.00 0.00 0.00 21 A 8.21 4.51 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 22 D 7.54 5.06 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.41 5.07 0.00 2.80 2.88 0.00 0.00 5.93 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 24 T 8.43 3.97 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 1.24 0.00 0.00 25 G 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.42 4.70 1.22 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 0.00 0.00 27 R 9.22 4.40 0.00 1.84 1.96 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.03 5.10 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 29 L 9.20 5.21 0.00 1.52 1.48 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.54 4.95 0.00 1.80 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.92 3.95 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 0.84 0.00 0.00 0.93 0.00 0.00 32 I 8.50 4.36 1.99 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 1.22 0.92 0.91 0.00 0.00 33 S 7.77 4.69 0.00 3.74 3.72 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 34 V 8.19 4.56 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 0.97 0.00 0.00 0.81 0.00 0.00 35 H 8.99 4.22 0.00 3.19 3.33 0.00 6.09 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.54 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 37 Y 7.68 4.28 0.00 2.95 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 38 S 6.93 4.23 0.00 3.66 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 39 G 7.86 4.19 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 0.00 0.00 0.00 40 T 8.23 4.52 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 41 K 8.49 3.89 0.00 1.75 1.74 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 N 8.99 4.52 0.00 2.95 3.01 0.00 0.00 7.05 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 43 R 7.84 4.08 0.00 1.82 2.07 0.00 3.38 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.45 4.22 0.00 1.68 1.60 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.44 0.00 2.06 2.36 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 46 K 7.82 5.02 0.00 1.70 1.70 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.99 1.14 7.81 47 A 9.09 4.76 1.11 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 0.00 0.00 48 G 9.16 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 0.00 0.00 0.00 0.00 49 L 8.57 4.01 0.00 1.62 1.68 1.04 1.44 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 50 G 8.85 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.11 4.75 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.65 4.95 0.00 1.90 1.70 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.76 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.48 7.81 53 I 8.60 5.09 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.09 0.88 0.00 0.00 54 T 8.75 4.86 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 1.26 0.00 0.00 55 V 9.35 5.04 2.05 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 1.04 0.00 0.00 0.90 0.00 0.00 56 S 8.59 5.14 0.00 3.91 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 57 V 8.36 4.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 58 T 8.55 4.31 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 1.33 0.00 0.00 59 K 8.65 4.54 0.00 1.71 1.62 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.52 7.81 60 G 8.25 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 61 T 7.78 4.10 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 1.25 0.00 0.00 62 P 0.00 4.21 0.00 2.03 2.18 0.00 3.68 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 2.03 2.21 0.00 63 E 8.10 4.10 0.00 1.93 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 2.31 2.34 0.00 64 M 7.64 4.17 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 65 R 7.49 4.17 0.00 1.91 1.90 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 66 R 8.95 3.97 0.00 1.92 2.08 0.00 3.16 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.81 4.18 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 68 V 8.30 4.55 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 9.18 4.95 0.00 1.50 1.47 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.54 4.95 0.00 2.05 1.78 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 2.31 2.28 0.00 71 A 8.86 4.96 1.11 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 0.00 0.00 72 V 8.30 4.49 1.71 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 0.68 0.00 0.00 -0.11 0.00 0.00 73 V 8.52 4.08 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 0.83 0.00 0.00 0.92 0.00 0.00 74 V 8.93 4.17 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 0.78 0.00 0.00 0.93 0.00 0.00 75 R 7.42 4.09 0.00 1.50 1.24 0.00 3.22 0.00 0.00 3.64 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.34 0.00 76 Q 8.09 5.08 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 77 R 9.15 4.35 0.00 1.85 2.06 0.00 3.14 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 78 K 7.89 4.20 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.55 7.81 79 P 0.00 4.94 0.00 2.12 1.97 0.00 3.61 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 2.12 2.10 0.00 80 I 8.50 4.94 2.04 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 1.39 0.97 0.99 0.00 0.00 81 R 9.10 4.99 0.00 1.84 1.81 0.00 3.08 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 1.52 1.71 0.00 82 R 8.66 4.77 0.00 1.82 1.82 0.00 3.22 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 83 P 0.00 4.24 0.00 2.03 2.16 0.00 3.67 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 2.05 2.16 0.00 84 D 8.07 4.63 0.00 2.78 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 85 G 8.63 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 86 T 7.55 4.05 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 1.19 0.00 0.00 87 R 8.45 5.09 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.73 4.52 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 0.74 0.00 0.00 0.89 0.00 0.00 89 K 8.32 4.94 0.00 1.93 1.70 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.95 4.69 0.00 3.31 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 91 E 9.02 4.13 0.00 1.97 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 2.31 2.26 0.00 92 D 7.73 4.76 0.00 2.68 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 93 N 8.68 5.29 0.00 2.62 2.70 0.00 0.00 6.51 7.38 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 94 A 8.67 5.20 1.13 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 0.00 0.00 95 A 8.99 5.06 1.13 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 0.00 0.00 96 V 8.47 4.57 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 0.91 0.00 0.00 0.87 0.00 0.00 97 I 8.43 4.30 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.87 0.00 0.00 98 V 8.60 4.85 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 0.66 0.00 0.00 0.85 0.00 0.00 99 D 8.30 4.81 0.00 2.94 2.79 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 0.00 100 E 8.76 3.88 0.00 1.94 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 2.34 0.00 101 N 9.27 4.71 0.00 2.91 2.83 0.00 0.00 7.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.45 3.80 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 103 D 8.20 4.85 0.00 2.90 2.57 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 0.00 104 P 0.00 4.72 0.00 2.15 2.04 0.00 3.77 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 1.98 1.96 0.00 105 R 8.46 3.89 0.00 1.79 1.97 0.00 3.23 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.74 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.57 4.44 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 1.21 0.00 0.00 108 E 8.92 4.83 0.00 1.82 1.76 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 2.21 2.26 0.00 109 L 8.52 4.93 0.00 1.51 1.55 0.98 0.87 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 0.00 110 K 8.65 4.42 0.00 1.61 1.70 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.34 7.81 111 G 9.03 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 0.00 112 P 0.00 4.91 0.00 2.29 2.15 0.00 3.78 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 2.20 2.13 0.00 113 I 8.45 4.70 1.89 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 1.12 0.77 0.91 0.00 0.00 114 A 8.09 4.95 1.45 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 0.00 0.00 115 R 9.44 3.92 0.00 2.02 2.35 0.00 2.81 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.29 3.98 0.00 2.12 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 2.43 2.46 0.00 117 V 7.98 3.80 2.23 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 1.34 0.00 0.00 1.04 0.00 0.00 118 A 7.73 4.00 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 0.00 119 Q 8.16 3.93 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 120 R 7.38 3.86 0.00 1.36 0.66 0.00 2.95 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.00 121 F 7.83 4.83 0.00 3.14 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 0.00 122 G 8.53 3.76 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 0.00 0.00 0.00 123 S 8.11 4.19 0.00 4.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.79 3.67 2.43 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 1.05 0.00 0.00 0.87 0.00 0.00 125 A 8.29 4.29 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 0.00 126 S 8.90 4.62 0.00 4.03 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 0.00 127 A 8.78 4.57 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 0.00 128 A 7.22 4.22 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 0.00 129 T 8.55 4.27 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 1.22 0.00 0.00 130 M 7.82 4.88 0.00 1.95 1.95 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 2.59 2.54 0.00 131 I 8.49 4.79 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.97 4.06 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 0.72 0.00 0.00 0.99 0.00 0.00