NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 H 4.7881 8.2985 117.8385 55.3815 29.1769 173.1093 16 A 3.8095 8.3541 126.6364 54.4813 18.9913 178.1114 17 G 3.7091 9.0139 105.9717 49.3526 0.0000 175.1076 18 T 3.9894 7.3692 114.9425 64.3056 68.5134 176.3130 *20 T 4.2629 8.0384 120.1297 63.7008 70.4498 175.9884 21 L 3.9697 8.2207 121.9230 58.3630 42.3017 178.5209 22 E 4.1823 8.5461 116.7622 59.6093 29.6802 179.1109 23 A 4.2604 8.0665 120.1421 54.9959 18.4499 178.7921 24 Y 3.8907 8.2537 114.5649 59.2913 38.6091 177.5444 *26 R 4.2678 7.8907 120.4134 56.1364 32.2115 177.3228 27 F 4.2009 8.2415 119.5520 61.0578 39.4910 177.0217 28 S 3.9364 8.0845 112.6410 61.5032 62.0810 176.0659 29 A 3.9944 7.9360 122.6662 55.2018 18.0843 179.6058 30 K 3.9503 7.9837 116.9069 59.5197 32.1207 179.5480 31 L 3.9587 7.8512 119.4268 57.7774 41.4627 179.5552 32 S 4.0579 7.9511 112.7778 61.3635 62.3821 175.8764 33 E 3.9421 8.2791 121.8076 58.9773 29.0759 178.6644 34 A 3.9276 8.0023 120.6135 54.7900 18.4677 179.0659 35 K 2.8917 7.6502 117.1845 59.4371 32.2567 178.2437 36 D 4.3658 7.6040 116.7088 56.5400 41.3572 176.6715 37 E 4.4887 7.8527 118.0672 55.5885 31.4099 176.2942 *39 G 3.7884 7.3987 106.2661 45.4359 0.0000 174.8799 40 T 3.8949 8.3683 116.3840 66.3248 68.4707 177.0681 41 K 3.9346 7.9719 120.9612 59.5513 32.4438 177.9459 42 E 3.9236 8.3387 119.2001 59.9603 29.3494 178.2083 43 Y 4.1061 8.2199 119.0205 60.2235 38.8157 177.3514 44 E 3.8954 8.1058 119.4516 59.4475 29.6685 179.4200 45 V 3.5715 7.8309 118.0853 66.0192 31.5659 177.8396 46 F 4.1017 8.2382 120.3856 61.5586 39.2801 177.3145 47 T 3.5012 7.8141 115.4899 66.0317 68.1305 176.5903 48 K 3.7911 7.8782 121.5523 59.5471 32.1553 178.4923 49 E 3.8735 8.0019 118.6793 59.5681 29.4209 179.3807 50 L 3.8240 7.5872 119.9679 57.7220 41.9571 178.9235 51 K 4.0060 7.6766 121.1020 58.4855 32.1150 178.8247 52 K 3.9002 8.0051 118.9332 59.4281 32.0259 178.9834 53 L 4.0102 7.9327 120.5793 58.4514 41.7510 179.1528 54 T 3.9325 8.1062 109.8721 64.7904 68.6710 176.1426 55 N 4.3244 8.6590 119.5904 56.1183 38.5534 177.1768 56 A 4.0950 8.1976 121.9985 55.2365 18.5013 179.9056 57 K 3.9589 8.2657 116.9752 59.4449 31.8248 179.6773 58 L 3.9668 7.7222 118.5457 57.5488 41.6074 178.9333 59 A 3.9072 7.9006 120.0421 54.0627 18.4590 177.6465 60 Y 4.6588 7.8134 111.5705 57.4791 40.0707 176.4039 61 G 3.8255 7.7312 109.1407 44.7680 0.0000 174.0317 62 D 4.6358 8.4713 120.2322 51.9250 41.6234 176.4568 63 A 4.1081 8.6245 120.6170 55.5572 18.2173 178.2812 64 N 4.6459 8.3435 110.4897 52.7764 38.7356 175.6345 65 G 3.8854 8.3816 105.8783 46.0713 0.0000 173.7226 66 N 4.7524 8.3217 117.9302 52.3145 39.4183 174.3114 67 I 4.3055 8.5842 124.2666 59.8472 38.6247 176.2128 68 D 4.5301 8.1176 124.6158 53.0994 39.4833 175.9398 69 Y 4.1077 8.1386 123.4014 60.5087 38.3425 178.6257 70 D 4.4302 7.9091 117.7590 56.7599 41.0714 177.5482 71 A 4.1483 7.9214 121.5301 54.3297 18.6796 178.0760 72 L 4.1080 7.1755 115.1107 54.0240 42.4595 177.7833 73 S 4.2810 8.2374 115.9140 57.8950 64.8650 173.4086 74 P 4.1935 0.0000 0.0000 66.0918 31.0606 178.6277 75 E 3.9120 8.0579 117.4536 59.0972 29.4620 178.6135 76 K 3.9824 7.7971 118.7581 59.3085 32.2943 178.5095 77 R 4.0780 7.9816 118.4624 59.3713 30.2819 177.8852 78 E 4.1622 8.4407 118.6727 59.4544 29.4598 180.0637 79 E 4.1983 7.9821 115.3294 56.9740 29.0935 178.7577 *81 K 4.1186 8.0281 122.6313 56.8064 34.1022 177.9349 82 T 3.7984 8.1026 114.5993 66.7074 68.8138 175.6455 83 V 3.9370 8.0595 121.3051 66.0814 31.8860 178.6149 84 S 4.2942 7.5575 115.0186 58.2494 62.4168 176.2704 *86 G 4.0900 8.0217 110.5624 46.7434 0.0000 175.2418 87 L 4.1315 7.8535 119.1725 56.4312 41.5972 178.8934 88 Q 4.1888 8.0306 120.0995 58.8552 28.9832 176.5723 89 P 4.3210 0.0000 0.0000 65.4131 31.3755 177.7859 90 Y 4.1103 8.0358 118.1327 60.9444 38.7009 178.2489 91 F 4.5832 7.8533 118.3767 60.6298 38.9494 177.3477 92 D 4.4783 8.6363 118.9495 57.3061 40.6779 178.7496 93 K 3.8889 8.0218 119.9798 59.6256 31.9981 178.8220 94 L 3.9389 7.6387 117.9193 57.5988 41.5746 178.4615 95 N 4.6225 8.0684 113.8753 52.8935 38.5810 175.4929 96 G 3.8683 7.8038 108.3025 46.6625 0.0000 173.2124 97 H 5.2422 8.1299 116.0802 52.9930 31.4227 174.6673 98 K 4.2372 8.0441 118.8212 56.6962 33.4357 176.7167 99 S 4.4750 8.5419 116.5765 58.5482 62.9775 175.2998 100 S 4.1487 10.1945 123.3028 61.0555 62.7054 176.5734 101 K 3.0035 7.8479 122.4341 59.1521 31.9158 178.0686 102 E 4.0573 7.5366 116.7749 58.9489 29.5765 178.8896 103 V 3.9130 7.3431 110.1578 61.2177 32.2188 176.0348 104 L 4.8918 6.7108 117.6317 52.9473 44.1418 176.8940 105 T 4.2518 8.6798 117.8367 63.0005 70.4521 176.0427 106 Q 4.0843 8.5453 122.6349 59.6184 29.1646 178.0293 107 E 4.0233 8.2940 119.0438 59.7819 29.4783 179.2299 108 E 4.2161 8.3046 117.9233 59.4211 29.3974 179.0546 109 F 4.5776 8.4728 120.1512 61.1513 39.5412 176.5189 110 D 4.3420 8.1572 117.1378 57.3250 41.3355 177.8059 111 R 3.9320 8.1201 119.2265 59.3923 29.8570 178.2175 112 Y 4.9291 8.4240 116.2932 58.9420 38.5408 177.4125 *114 E 4.0795 8.1479 119.0521 55.8605 31.8460 177.2765 115 A 4.1750 8.1678 121.6995 55.3341 18.7187 180.6018 116 L 4.2551 7.8615 114.0620 55.6275 41.2022 179.4973 *118 T 4.3281 8.0894 117.1306 64.0584 70.5740 175.9192 119 H 4.3207 8.5022 120.4962 59.3375 29.9153 176.9092 120 E 4.0237 8.3912 121.1834 59.2683 29.4721 178.7769 121 I 3.6263 7.8133 119.4447 64.4525 37.1975 178.4236 122 V 3.2966 7.7898 118.9478 65.8627 31.1457 178.1880 123 R 3.8373 7.9666 117.9288 59.1227 29.6917 179.2710 124 V 3.6808 7.5022 117.7319 66.0247 31.3584 178.3778 125 K 3.9804 7.9008 117.2763 58.7413 31.9104 178.4694 126 T 4.2804 7.5240 107.4474 60.7241 69.7938 175.0508 127 K 3.9384 7.0576 120.4544 58.5297 32.1374 174.3811 128 S 4.6975 7.5885 114.0712 57.7632 64.6421 173.1465 129 T 4.4152 8.5615 120.5998 62.4844 69.4101 175.0260 130 G 4.0233 6.9786 105.1075 45.3425 0.0000 176.7088 131 A 4.2843 8.7867 126.3697 51.3556 18.9806 177.8416 132 I 4.0600 8.2519 123.3795 60.4285 38.4197 175.6247 133 K 4.4356 8.2533 123.6073 54.6336 32.9298 177.3422 134 V 3.6102 8.6945 124.7600 66.1878 31.5323 177.8973 135 E 3.9389 8.1787 117.8387 59.1415 29.3658 177.1778 136 E 4.1762 8.1945 117.3337 56.2985 29.9086 176.0289 137 V 3.8191 7.1867 118.9537 61.6770 32.3476 173.8886 138 P 4.3688 0.0000 0.0000 63.0603 31.5813 176.5574 139 E 3.8958 9.0040 120.0265 59.6643 29.2714 179.0740 140 A 3.9550 8.0990 118.9433 54.4156 18.6865 177.8016 141 Y 4.6226 8.0103 112.9645 57.5045 39.3710 177.6483 142 K 3.9623 7.7221 119.6391 59.6796 32.3136 177.9958 143 E 4.1179 8.1590 117.7403 59.5350 29.9416 178.4539 144 R 4.1332 8.0573 118.0115 59.3267 30.0786 178.4691 145 F 4.2247 8.7195 117.1466 59.2221 39.1395 176.4436 *147 K 4.2081 8.1326 120.4225 56.0196 33.8389 178.0831 148 A 4.0833 7.9600 119.7437 55.0822 18.2811 179.1456 149 E 3.9628 7.9239 116.6229 59.5592 29.7957 179.1132 150 Q 4.1613 7.9189 119.0424 58.8771 29.2628 178.8027 151 F 4.4939 8.3427 121.5749 58.2710 39.5127 176.7971 *153 E 4.2217 8.1867 117.7179 56.1518 31.6797 177.7142 154 Y 4.1321 8.0373 119.1086 60.6884 38.8014 178.3757 155 V 3.0622 7.5975 119.1509 65.6813 31.2822 177.4183 156 D 4.1970 7.7786 116.4848 57.3238 41.0328 177.6609 157 E 3.9665 8.0783 117.9787 59.3295 29.2290 179.2941 158 K 3.8201 7.2643 118.1303 58.5244 31.7984 178.6585 159 V 3.9035 7.3982 110.5404 60.9100 31.5190 176.4762 160 R 4.1421 7.3680 123.3925 56.3847 30.3638 175.8217 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 15 H 8.30 4.79 0.00 3.24 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.35 3.81 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 17 G 9.01 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.37 3.99 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *20 T 8.04 4.26 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 1.20 0.00 0.00 21 L 8.22 3.97 0.00 1.56 1.91 0.95 1.27 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 22 E 8.55 4.18 0.00 2.07 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 2.39 2.48 0.00 23 A 8.07 4.26 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.25 3.89 0.00 3.20 3.21 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 *26 R 7.89 4.27 0.00 2.10 2.23 0.00 3.27 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 27 F 8.24 4.20 0.00 3.33 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 28 S 8.08 3.94 0.00 3.67 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.94 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.98 3.95 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.67 7.81 31 L 7.85 3.96 0.00 1.78 1.75 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.95 4.06 0.00 3.91 4.02 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 33 E 8.28 3.94 0.00 2.08 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 2.40 2.31 0.00 34 A 8.00 3.93 1.21 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 0.00 0.00 35 K 7.65 2.89 0.00 1.49 1.80 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.12 0.59 7.81 36 D 7.60 4.37 0.00 2.61 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 37 E 7.85 4.49 0.00 2.03 1.91 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 2.26 2.41 0.00 *39 G 7.40 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 40 T 8.37 3.89 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 1.24 0.00 0.00 41 K 7.97 3.93 0.00 1.84 1.81 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 42 E 8.34 3.92 0.00 2.08 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 0.00 2.36 2.39 0.00 43 Y 8.22 4.11 0.00 3.15 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 44 E 8.11 3.90 0.00 2.32 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 45 V 7.83 3.57 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 1.01 0.00 0.00 0.94 0.00 0.00 46 F 8.24 4.10 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.81 3.50 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 1.07 0.00 0.00 48 K 7.88 3.79 0.00 2.06 1.79 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 49 E 8.00 3.87 0.00 2.01 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 2.30 2.52 0.00 50 L 7.59 3.82 0.00 1.12 1.40 1.03 0.39 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 51 K 7.68 4.01 0.00 2.02 1.85 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.36 7.81 52 K 8.01 3.90 0.00 2.05 1.87 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.62 7.81 53 L 7.93 4.01 0.00 1.82 1.85 1.03 0.92 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 54 T 8.11 3.93 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 1.33 0.00 0.00 55 N 8.66 4.32 0.00 2.95 2.90 0.00 0.00 6.89 6.89 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 56 A 8.20 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.27 3.96 0.00 1.78 1.97 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.62 7.81 58 L 7.72 3.97 0.00 1.73 1.66 1.01 0.81 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 59 A 7.90 3.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.66 0.00 2.97 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 G 7.73 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 0.00 0.00 0.00 62 D 8.47 4.64 0.00 2.79 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 63 A 8.62 4.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.34 4.65 0.00 2.81 2.81 0.00 0.00 6.90 7.65 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 65 G 8.38 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 66 N 8.32 4.75 0.00 2.87 2.70 0.00 0.00 6.95 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.58 4.31 0.97 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 1.09 0.38 0.26 0.00 0.00 68 D 8.12 4.53 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.14 4.11 0.00 3.03 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 70 D 7.91 4.43 0.00 2.99 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 71 A 7.92 4.15 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 72 L 7.18 4.11 0.00 1.71 1.46 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.24 4.28 0.00 4.03 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 74 P 0.00 4.19 0.00 2.17 2.16 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 75 E 8.06 3.91 0.00 2.03 1.94 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 2.38 2.36 0.00 76 K 7.80 3.98 0.00 1.76 1.85 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.22 1.46 7.81 77 R 7.98 4.08 0.00 1.86 2.09 0.00 3.34 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 78 E 8.44 4.16 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 79 E 7.98 4.20 0.00 2.27 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 2.35 2.43 0.00 *81 K 8.03 4.12 0.00 1.73 2.03 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.33 7.81 82 T 8.10 3.80 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 1.23 0.00 0.00 83 V 8.06 3.94 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 1.06 0.00 0.00 0.98 0.00 0.00 84 S 7.56 4.29 0.00 4.15 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 *86 G 8.02 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 87 L 7.85 4.13 0.00 1.62 1.08 0.97 0.44 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 88 Q 8.03 4.19 0.00 2.61 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.77 2.81 0.00 89 P 0.00 4.32 0.00 2.25 2.11 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 90 Y 8.04 4.11 0.00 2.97 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 91 F 7.85 4.58 0.00 3.36 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.64 4.48 0.00 2.92 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 93 K 8.02 3.89 0.00 1.89 1.88 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.45 7.81 94 L 7.64 3.94 0.00 1.79 1.70 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.07 4.62 0.00 2.92 2.70 0.00 0.00 7.01 6.94 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 96 G 7.80 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 0.00 0.00 0.00 97 H 8.13 5.24 0.00 3.12 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.04 4.24 0.00 1.77 1.80 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.34 7.81 99 S 8.54 4.48 0.00 3.93 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 0.00 100 S 10.19 4.15 0.00 4.02 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 0.00 101 K 7.85 3.00 0.00 1.35 1.62 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.94 0.34 7.81 102 E 7.54 4.06 0.00 2.11 1.94 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 2.28 2.28 0.00 103 V 7.34 3.91 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 0.71 0.00 0.00 0.86 0.00 0.00 104 L 6.71 4.89 0.00 1.83 1.74 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.68 4.25 4.57 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 1.35 0.00 0.00 106 Q 8.55 4.08 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 107 E 8.29 4.02 0.00 2.10 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 2.42 2.45 0.00 108 E 8.30 4.22 0.00 2.45 2.37 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 2.70 2.53 0.00 109 F 8.47 4.58 0.00 3.18 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.16 4.34 0.00 2.85 2.91 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 0.00 111 R 8.12 3.93 0.00 1.89 1.61 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.00 112 Y 8.42 4.93 0.00 3.46 3.18 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 0.00 0.00 0.00 0.00 *114 E 8.15 4.08 0.00 2.17 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 0.00 2.15 2.23 0.00 115 A 8.17 4.18 1.55 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 0.00 0.00 116 L 7.86 4.26 0.00 1.48 1.54 0.45 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 *118 T 8.09 4.33 4.49 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 0.00 0.00 1.39 0.00 0.00 119 H 8.50 4.32 0.00 3.43 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.39 4.02 0.00 2.24 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 0.00 2.56 2.40 0.00 121 I 7.81 3.63 1.91 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 1.73 0.61 0.45 0.00 0.00 122 V 7.79 3.30 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 0.43 0.00 0.00 0.91 0.00 0.00 123 R 7.97 3.84 0.00 2.10 1.94 0.00 3.21 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 124 V 7.50 3.68 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 0.97 0.00 0.00 0.97 0.00 0.00 125 K 7.90 3.98 0.00 1.58 1.75 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.26 7.81 126 T 7.52 4.28 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 1.14 0.00 0.00 127 K 7.06 3.94 0.00 1.87 2.06 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.48 7.81 128 S 7.59 4.70 0.00 3.73 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 0.00 129 T 8.56 4.42 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 0.00 130 G 6.98 4.02 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 0.00 0.00 0.00 131 A 8.79 4.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.25 4.06 1.93 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 1.24 0.56 0.47 0.00 0.00 133 K 8.25 4.44 0.00 1.75 1.73 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.34 7.81 134 V 8.69 3.61 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 1.11 0.00 0.00 1.13 0.00 0.00 135 E 8.18 3.94 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 2.32 2.31 0.00 136 E 8.19 4.18 0.00 1.86 1.94 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 2.26 2.21 0.00 137 V 7.19 3.82 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 0.82 0.00 0.00 0.43 0.00 0.00 138 P 0.00 4.37 0.00 2.38 2.24 0.00 3.70 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 2.25 2.03 0.00 139 E 9.00 3.90 0.00 2.11 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 2.38 2.45 0.00 140 A 8.10 3.95 1.16 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 0.00 0.00 141 Y 8.01 4.62 0.00 3.10 2.92 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 0.00 142 K 7.72 3.96 0.00 1.76 1.96 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.77 7.81 143 E 8.16 4.12 0.00 1.98 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 2.40 0.00 144 R 8.06 4.13 0.00 1.99 2.12 0.00 3.25 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 145 F 8.72 4.22 0.00 3.19 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *147 K 8.13 4.21 0.00 2.03 1.87 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.66 7.81 148 A 7.96 4.08 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 0.00 149 E 7.92 3.96 0.00 1.63 1.89 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 1.55 1.61 0.00 150 Q 7.92 4.16 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.24 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 151 F 8.34 4.49 0.00 3.27 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 *153 E 8.19 4.22 0.00 2.31 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 2.30 2.26 0.00 154 Y 8.04 4.13 0.00 2.95 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 0.00 155 V 7.60 3.06 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 0.19 0.00 0.00 0.24 0.00 0.00 156 D 7.78 4.20 0.00 2.65 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 0.00 157 E 8.08 3.97 0.00 2.12 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 2.37 2.17 0.00 158 K 7.26 3.82 0.00 1.55 1.66 0.00 1.01 0.00 0.00 1.36 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.01 0.76 7.81 159 V 7.40 3.90 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 0.94 0.00 0.00 0.84 0.00 0.00 160 R 7.37 4.14 0.00 1.88 2.09 0.00 3.20 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.