NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3959 8.1233 123.5867 51.3516 20.7585 176.4799 3 I 4.8406 7.6164 114.3878 59.1675 40.4547 173.5956 4 N 5.1359 9.8383 123.8758 51.5081 43.1960 172.9135 5 I 5.0264 8.3203 122.2800 59.6725 39.1587 174.9989 6 I 4.9162 8.8035 120.0307 58.6979 41.3713 174.3599 7 E 4.5107 9.0122 123.7660 55.8709 30.3279 175.6779 8 Y 4.2992 8.6840 127.7342 58.0906 39.5504 175.1660 9 N 4.9071 7.9792 121.4757 49.9875 40.9943 175.4207 10 R 3.9157 8.2583 117.8183 59.1395 29.7578 179.3241 11 S 4.0724 7.8036 113.3418 61.0100 63.1045 175.1701 12 Y 4.3695 7.5763 118.6243 57.7334 37.8167 176.7719 13 K 3.9874 7.8839 122.1373 60.2785 32.2548 178.3040 14 E 4.0264 8.1173 117.8402 59.1719 29.4823 178.7667 15 E 3.9904 8.2016 119.0055 59.1204 29.7701 178.4055 16 L 4.0081 8.4842 120.6949 58.3229 42.1835 178.9171 17 I 3.6992 7.7272 119.6293 64.5551 37.1166 178.0935 18 E 3.9438 8.3766 120.0095 59.0116 29.2477 178.6031 19 F 4.0841 8.5088 120.8776 61.3155 39.4647 177.1215 20 I 2.9122 7.9139 119.2134 64.2667 36.8897 178.4551 21 L 4.0596 7.9422 119.9853 57.7439 41.4084 179.8518 22 S 4.0686 8.0414 114.2060 61.3976 62.9244 176.6501 23 I 3.6871 7.1869 123.4707 64.0866 36.8933 178.2283 24 Q 4.2498 8.1176 118.8820 59.1299 28.5149 179.1886 25 K 4.1293 8.2179 118.8187 58.6514 32.3329 179.0769 26 N 4.3543 7.9993 115.3643 55.9710 39.0143 176.2598 27 E 3.9712 8.2126 116.8835 58.4014 29.9400 176.8844 28 F 4.4104 8.1393 113.9784 56.5207 39.5540 175.2112 29 N 4.5430 7.9538 116.0854 52.8950 36.0858 174.3196 30 I 3.9675 8.0683 118.2731 60.9688 37.8686 177.5446 31 K 4.3061 8.3974 125.0122 55.4652 30.4880 175.6132 32 I 4.6351 7.5207 120.8471 59.9004 41.0790 173.4849 33 D 4.7137 8.9594 124.0100 52.2580 42.4171 175.4915 34 R 3.8817 8.7051 117.8023 59.8936 30.0895 178.2908 35 D 4.6341 7.4411 112.9872 54.4946 39.6187 176.4875 36 D 4.6128 7.7709 119.3322 55.6067 42.0973 176.2568 37 Q 4.7215 7.9226 118.1490 53.2362 29.2811 174.6028 38 P 4.3228 0.0000 0.0000 65.9169 31.4799 177.8936 39 D 5.1405 8.1233 119.9098 56.0176 38.8622 178.4237 40 L 4.0284 7.7706 118.7179 56.9837 41.6296 178.7637 41 E 4.2451 8.1853 118.3013 58.0102 30.9368 177.0036 42 N 5.0727 7.8280 115.8356 50.9049 39.9016 174.9275 43 I 3.7319 7.6407 123.1212 64.2024 37.6159 177.6315 44 E 4.0124 8.2442 118.9645 59.8058 29.1331 178.9050 45 H 4.1206 8.0727 115.9626 59.5603 30.4554 176.6988 46 N 4.3057 8.6612 118.5207 55.1793 38.2798 175.7806 47 Y 4.3102 8.2886 116.1323 59.6003 39.9752 178.1461 48 L 4.0315 7.8012 119.0792 57.7921 41.8088 178.7371 49 N 4.5581 8.7310 114.3948 54.6362 38.8297 175.8692 50 S 4.4106 8.0245 111.5875 57.9456 63.5017 174.7498 51 G 3.9232 8.0158 108.4810 45.6063 0.0000 174.1125 52 G 4.4340 7.6542 107.8220 45.0732 0.0000 173.3876 53 Q 4.6011 8.7970 117.6857 54.5440 34.0409 174.5600 54 F 4.4236 7.7858 123.6499 57.0281 42.6881 172.8042 55 W 5.4503 8.7448 126.3261 54.8832 32.5891 174.6990 56 L 5.2118 9.4370 122.4699 52.9087 44.7136 175.3005 57 A 4.9592 8.7081 126.0471 50.8474 20.4662 176.2272 58 I 4.9565 8.8031 116.4547 59.1589 41.5573 175.7619 59 N 5.3117 8.6805 120.9706 50.8653 39.6307 175.1775 60 N 4.3032 8.7289 114.3411 56.3598 37.3310 175.2349 61 H 4.5380 8.3240 113.4398 55.3907 29.0442 175.0658 62 Q 3.7633 8.0827 117.3203 56.9238 26.7645 173.2622 63 N 4.9752 8.3231 115.2092 51.9754 39.8475 174.8787 64 I 4.0250 8.6293 122.9244 61.7082 37.4968 176.5591 65 V 4.1298 8.4366 117.5115 60.8287 33.7087 175.3420 66 G 4.5265 7.1994 106.1706 45.7078 0.0000 172.4413 67 T 5.3032 8.9573 110.8970 60.3276 72.5236 173.1941 68 I 4.1593 7.7686 120.4310 60.0865 42.0898 173.4487 69 G 3.9587 8.9181 116.2677 44.1366 0.0000 171.4715 70 L 5.5169 8.9660 122.3361 53.2560 45.8868 174.9528 71 I 4.7956 9.2255 119.8949 59.1582 40.4659 174.4086 72 R 4.6105 8.5041 124.8483 55.7974 30.9397 175.9219 73 L 4.5772 8.3365 126.2671 52.8367 42.7907 175.1665 74 D 4.4964 8.3593 119.0456 54.9827 41.5839 174.9429 75 N 4.3160 9.0407 116.9831 54.8059 37.4665 173.5932 76 N 4.0366 7.3430 112.0057 53.4536 35.9472 173.3397 *78 S 4.9051 7.4845 114.5881 58.0596 65.8628 173.3334 79 A 5.3354 9.1071 121.8712 50.1075 21.7315 175.2463 80 L 4.7323 9.0719 125.6965 54.8911 43.1270 176.3009 81 K 4.7107 8.9818 124.3345 55.3539 37.0056 174.1013 82 K 3.8203 8.7533 122.2551 57.0103 31.6257 174.6604 *84 F 4.4532 8.1493 119.6344 57.4330 40.8326 174.1053 85 V 5.0060 8.2612 120.4866 60.9133 34.6746 174.3689 86 D 4.5229 9.7877 130.2502 55.4876 41.2912 178.0663 87 K 4.0248 9.2196 127.0069 57.8985 31.8337 176.7657 88 G 3.9996 8.6427 105.5969 46.9447 0.0000 173.3315 89 Y 4.7638 8.1486 115.7966 57.7297 39.4363 176.5289 90 R 4.2523 7.9187 118.0453 57.5848 30.7478 176.4461 91 N 5.1494 7.9147 114.9367 53.2530 38.0982 174.5339 92 L 4.7162 7.5239 113.9285 53.6578 43.6080 177.5134 93 K 3.8752 8.2026 116.5370 57.5932 29.8908 177.9255 94 I 3.8516 7.4021 118.9891 64.2822 36.9157 177.9480 95 G 3.3539 7.9888 106.1828 47.6016 0.0000 175.2740 96 K 4.1442 8.1695 121.7006 59.3220 32.4364 178.7490 97 K 3.9666 8.0077 118.5878 59.3514 31.9266 179.2923 98 L 3.8829 8.0947 119.2882 57.6856 41.6204 179.2423 99 L 4.0024 8.1864 120.3076 58.4784 41.8597 178.5112 100 D 4.3994 8.3449 117.7249 57.4063 40.8005 178.6850 101 K 3.7814 7.5520 118.6303 59.2200 32.3894 178.7573 102 V 4.5472 7.5060 119.7636 65.6227 31.5028 179.2124 103 I 3.8092 8.0559 116.9885 62.4097 37.0070 177.9976 *105 T 4.3982 7.9086 119.0678 63.9656 70.5811 176.2255 106 C 4.2528 8.6108 119.3978 62.7548 28.5507 176.2226 107 K 3.9883 8.3533 119.1919 59.5213 31.8197 179.1940 108 E 3.9696 8.2690 116.8137 59.1986 29.4727 177.6544 109 Q 4.4346 7.8954 115.0315 55.0582 28.8176 175.1067 110 N 4.2035 7.6362 114.1188 54.3383 36.5656 174.3138 111 I 4.4568 7.8261 118.4802 60.4908 38.4302 176.2730 112 D 4.5845 9.0948 125.5311 56.3304 41.9381 176.1529 113 G 4.2682 7.4403 102.7744 46.3260 0.0000 172.9978 114 I 5.0343 7.4486 119.9893 58.6545 40.6813 174.8976 115 Y 5.4430 9.5728 125.6686 57.0498 40.4899 174.7076 116 L 5.1561 9.1327 120.2671 54.8954 44.1776 174.3913 117 G 4.6118 8.9953 107.1303 45.1207 0.0000 171.8206 118 T 4.9044 8.7065 116.1684 60.8056 71.7125 172.1869 119 I 4.8728 8.3668 124.5448 59.5039 39.2565 176.8336 120 D 4.3943 8.5924 124.2441 56.7330 41.3412 177.9371 121 K 4.0712 7.8178 117.5766 59.2014 32.1791 177.7116 122 F 4.3179 7.3493 119.8003 55.9050 37.0595 175.9679 123 I 3.4682 7.9649 126.0615 64.4607 37.9224 178.8507 124 S 4.3070 8.3710 113.7016 61.4185 62.1792 175.7485 125 A 3.6002 7.5450 123.1290 54.9204 17.9197 179.7265 126 Q 3.8009 7.5714 116.0138 59.4629 28.8573 178.4902 127 Y 4.3501 7.4759 117.1580 60.9783 37.6771 178.3502 128 F 4.0076 8.0783 120.7203 61.5455 39.7697 176.5043 129 Y 4.1003 7.5005 116.2380 61.2203 37.3493 178.8110 130 S 4.4878 8.0165 114.8482 61.3782 63.0288 175.7065 131 N 4.6916 7.8886 116.6319 53.5222 39.0479 174.8921 132 N 4.8206 7.8880 118.4376 52.7870 39.3521 175.4470 133 G 3.7896 8.5972 104.4163 45.2678 0.0000 173.2719 134 F 4.9325 7.9752 118.0272 55.8218 40.5068 175.4012 135 R 4.8725 9.2785 120.1250 54.4009 32.2541 174.8543 136 E 4.3427 8.8486 122.5032 55.8994 30.3477 175.4746 137 I 4.6881 8.2597 119.7503 58.9619 41.0548 175.0438 138 K 4.4363 8.9695 121.9786 54.9849 33.6412 178.1583 139 R 3.1492 8.7330 121.8009 59.4731 29.8791 178.8455 140 G 3.6936 7.8410 104.0331 47.4921 0.0000 173.6727 141 D 4.4762 7.7159 118.8125 55.2707 41.3726 177.0398 142 L 3.6586 7.0588 119.5962 53.3965 42.3559 175.3094 143 P 4.4102 0.0000 0.0000 62.0446 32.1225 177.5195 144 S 4.1221 8.4916 114.1374 61.0380 62.8975 175.2406 145 S 4.4041 7.8455 113.0474 58.1280 63.4392 173.6169 146 F 4.1351 7.8348 124.9085 57.2071 39.3242 172.9158 147 P 4.2735 0.0000 0.0000 62.1022 31.3919 176.0098 148 K 4.6257 8.5608 123.6494 55.6689 34.5199 174.1194 149 L 4.1829 9.1586 122.2089 55.1348 41.5821 178.0126 *152 D 4.5549 9.0358 120.1356 55.0292 42.5264 174.8078 153 N 5.0710 8.6105 117.2563 52.2000 39.2321 174.3072 154 R 4.4693 7.2881 118.5386 54.4648 34.3688 174.0667 155 F 5.4370 8.2615 120.5747 56.0871 43.2034 173.5471 156 Y 5.4713 9.2600 118.5216 57.0344 42.8592 173.4188 157 Y 5.2519 9.4392 121.5123 56.1991 42.9721 173.5456 158 R 4.1329 7.7380 126.4614 53.9965 32.7212 173.6917 159 N 4.4288 8.2413 125.4713 53.4688 39.2635 174.0673 160 L 4.4605 8.5993 126.3224 56.0106 43.5777 176.8686 161 K 4.1229 7.9086 120.9961 57.0738 32.5758 176.4985 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 2 A 8.12 4.40 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 3 I 7.62 4.84 1.90 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 1.44 0.44 0.89 0.00 0.00 4 N 9.84 5.14 0.00 2.60 2.65 0.00 0.00 6.71 6.79 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 5 I 8.32 5.03 1.72 0.00 0.00 0.81 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 0.71 0.84 0.00 0.00 6 I 8.80 4.92 1.96 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 1.09 0.95 0.97 0.00 0.00 7 E 9.01 4.51 0.00 1.99 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 2.18 1.90 0.00 8 Y 8.68 4.30 0.00 2.99 2.78 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 9 N 7.98 4.91 0.00 2.83 2.79 0.00 0.00 6.24 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 10 R 8.26 3.92 0.00 1.81 2.01 0.00 3.16 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 11 S 7.80 4.07 0.00 3.77 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 12 Y 7.58 4.37 0.00 2.91 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 13 K 7.88 3.99 0.00 2.06 1.88 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.58 7.81 14 E 8.12 4.03 0.00 2.03 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 2.41 2.31 0.00 15 E 8.20 3.99 0.00 2.10 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 0.00 2.46 2.45 0.00 16 L 8.48 4.01 0.00 1.97 1.96 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.73 3.70 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.92 0.00 0.00 18 E 8.38 3.94 0.00 2.17 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 2.19 0.00 19 F 8.51 4.08 0.00 3.23 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 20 I 7.91 2.91 1.77 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 1.30 0.75 0.55 0.00 0.00 21 L 7.94 4.06 0.00 1.72 1.70 0.92 0.74 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 22 S 8.04 4.07 0.00 4.02 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.19 3.69 1.64 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.14 1.34 0.00 0.00 24 Q 8.12 4.25 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.71 2.49 0.00 25 K 8.22 4.13 0.00 1.87 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.59 7.81 26 N 8.00 4.35 0.00 2.94 2.84 0.00 0.00 7.02 7.01 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 27 E 8.21 3.97 0.00 1.84 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.98 0.00 28 F 8.14 4.41 0.00 3.21 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.95 4.54 0.00 2.81 2.87 0.00 0.00 7.33 7.45 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 30 I 8.07 3.97 2.04 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.94 0.00 0.00 31 K 8.40 4.31 0.00 2.02 1.80 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 0.99 7.81 32 I 7.52 4.64 1.92 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 1.52 0.55 1.01 0.00 0.00 33 D 8.96 4.71 0.00 2.89 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 34 R 8.71 3.88 0.00 1.87 1.97 0.00 3.18 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 35 D 7.44 4.63 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.77 4.61 0.00 2.82 2.78 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 37 Q 7.92 4.72 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 38 P 0.00 4.32 0.00 2.26 2.32 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 39 D 8.12 5.14 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.77 4.03 0.00 1.78 1.74 0.95 0.90 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 41 E 8.19 4.25 0.00 2.04 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 2.44 2.49 0.00 42 N 7.83 5.07 0.00 2.91 2.70 0.00 0.00 6.86 8.03 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 43 I 7.64 3.73 0.56 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 -0.17 0.00 0.00 44 E 8.24 4.01 0.00 2.08 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 2.57 2.59 0.00 45 H 8.07 4.12 0.00 3.15 3.46 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.66 4.31 0.00 2.61 2.44 0.00 0.00 6.92 7.03 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 47 Y 8.29 4.31 0.00 3.06 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 48 L 7.80 4.03 0.00 1.85 1.71 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.73 4.56 0.00 2.84 2.86 0.00 0.00 7.04 8.04 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 50 S 8.02 4.41 0.00 3.88 3.83 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 51 G 8.02 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 52 G 7.65 4.43 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 53 Q 8.80 4.60 0.00 2.01 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 54 F 7.79 4.42 0.00 2.72 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 55 W 8.74 5.45 0.00 3.21 2.96 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 56 L 9.44 5.21 0.00 1.32 1.26 0.21 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.71 4.96 1.15 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 58 I 8.80 4.96 1.75 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.71 0.00 0.00 59 N 8.68 5.31 0.00 3.10 3.01 0.00 0.00 6.63 6.26 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 60 N 8.73 4.30 0.00 2.80 3.00 0.00 0.00 5.90 7.90 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 61 H 8.32 4.54 0.00 3.35 3.39 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.08 3.76 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 63 N 8.32 4.98 0.00 2.93 2.83 0.00 0.00 7.06 7.05 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 64 I 8.63 4.03 1.46 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.30 -0.06 0.00 0.00 65 V 8.44 4.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.65 0.00 0.00 66 G 7.20 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.96 5.30 4.46 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 1.29 0.00 0.00 68 I 7.77 4.16 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.99 0.97 0.00 0.00 69 G 8.92 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 70 L 8.97 5.52 0.00 1.82 1.56 1.03 0.99 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 71 I 9.23 4.80 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.67 0.00 0.00 72 R 8.50 4.61 0.00 2.02 1.88 0.00 3.26 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 73 L 8.34 4.58 0.00 1.76 1.66 1.14 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.36 4.50 0.00 2.78 2.55 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 75 N 9.04 4.32 0.00 2.89 2.90 0.00 0.00 7.05 7.79 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 76 N 7.34 4.04 0.00 3.06 3.00 0.00 0.00 6.78 7.45 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 *78 S 7.48 4.91 0.00 4.15 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 79 A 9.11 5.34 1.34 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 0.00 0.00 0.00 80 L 9.07 4.73 0.00 1.74 1.56 1.01 0.69 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 81 K 8.98 4.71 0.00 1.90 1.81 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 82 K 8.75 3.82 0.00 1.99 2.12 0.00 2.04 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.66 7.81 *84 F 8.15 4.45 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 5.01 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 0.84 0.00 0.00 0.83 0.00 0.00 86 D 9.79 4.52 0.00 3.04 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 87 K 9.22 4.02 0.00 1.72 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.02 7.81 88 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.15 4.76 0.00 3.00 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 90 R 7.92 4.25 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 91 N 7.91 5.15 0.00 2.93 2.77 0.00 0.00 6.75 7.85 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 92 L 7.52 4.72 0.00 1.95 1.67 0.90 0.95 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 93 K 8.20 3.88 0.00 1.98 1.90 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.47 7.81 94 I 7.40 3.85 1.89 0.00 0.00 1.00 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 0.66 0.89 0.00 0.00 95 G 7.99 3.35 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 0.00 96 K 8.17 4.14 0.00 2.05 2.11 0.00 1.65 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.78 7.81 97 K 8.01 3.97 0.00 2.09 1.80 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.36 7.81 98 L 8.09 3.88 0.00 1.82 1.69 0.93 0.56 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 99 L 8.19 4.00 0.00 2.10 2.00 1.18 1.79 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 0.00 100 D 8.34 4.40 0.00 2.79 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 0.00 101 K 7.55 3.78 0.00 1.51 1.61 0.00 1.09 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 102 V 7.51 4.55 2.29 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 1.51 0.00 0.00 1.16 0.00 0.00 103 I 8.06 3.81 1.85 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 1.46 0.80 0.86 0.00 0.00 *105 T 7.91 4.40 4.74 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 1.51 0.00 0.00 106 C 8.61 4.25 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 3.99 0.00 1.83 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 108 E 8.27 3.97 0.00 2.16 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 0.00 2.34 2.36 0.00 109 Q 7.90 4.43 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 110 N 7.64 4.20 0.00 2.84 2.92 0.00 0.00 6.85 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 0.00 111 I 7.83 4.46 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 1.06 0.00 0.00 112 D 9.09 4.58 0.00 2.67 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.44 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.45 5.03 1.75 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 1.27 1.46 1.14 0.00 0.00 115 Y 9.57 5.44 0.00 3.29 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 0.00 116 L 9.13 5.16 0.00 1.68 1.72 0.39 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 117 G 9.00 4.61 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 0.00 118 T 8.71 4.90 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 1.43 0.00 0.00 119 I 8.37 4.87 1.78 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 1.36 1.44 0.85 0.00 0.00 120 D 8.59 4.39 0.00 2.78 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 0.00 121 K 7.82 4.07 0.00 1.61 1.68 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.03 7.81 122 F 7.35 4.32 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.47 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.99 0.00 0.00 124 S 8.37 4.31 0.00 4.04 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 0.00 125 A 7.55 3.60 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 0.00 0.00 0.00 0.00 0.00 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0.00 3.00 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 0.00 135 R 9.28 4.87 0.00 1.90 2.11 0.00 2.82 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 136 E 8.85 4.34 0.00 1.83 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 2.05 1.75 0.00 137 I 8.26 4.69 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.98 0.00 0.00 138 K 8.97 4.44 0.00 1.89 1.72 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.35 7.81 139 R 8.73 3.15 0.00 1.80 1.83 0.00 3.27 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.09 0.00 140 G 7.84 3.69 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 0.00 0.00 0.00 141 D 7.72 4.48 0.00 2.77 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 0.00 142 L 7.06 3.66 0.00 1.34 1.04 -0.23 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.41 0.00 2.10 2.01 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.40 0.00 144 S 8.49 4.12 0.00 3.97 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 0.00 145 S 7.85 4.40 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 7.83 4.14 0.00 2.86 2.98 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 0.00 147 P 0.00 4.27 0.00 1.86 1.85 0.00 2.71 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 148 K 8.56 4.63 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 149 L 9.16 4.18 0.00 2.11 1.44 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *152 D 9.04 4.55 0.00 2.84 2.36 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 0.00 153 N 8.61 5.07 0.00 2.63 2.84 0.00 0.00 6.73 7.18 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 0.00 154 R 7.29 4.47 0.00 1.70 1.70 0.00 3.16 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 155 F 8.26 5.44 0.00 3.04 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 0.00 156 Y 9.26 5.47 0.00 2.79 2.97 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 0.00 157 Y 9.44 5.25 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 4.13 0.00 0.67 0.66 0.00 2.61 0.00 0.00 2.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.05 0.00 159 N 8.24 4.43 0.00 2.85 2.63 0.00 0.00 7.14 7.78 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 0.00 160 L 8.60 4.46 0.00 1.59 1.62 0.91 0.94 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 0.00 161 K 7.91 4.12 0.00 1.87 1.96 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.63 1.58 7.81 * Residues marked with a * may have inaccurate shift predictions.