NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1649 7.8833 121.0477 61.1024 39.8181 173.8170 3 T 4.8729 8.5720 125.6860 61.4517 70.8924 171.8704 4 I 4.2947 9.1074 128.7312 59.6848 39.6535 174.1521 5 D 4.9113 8.7831 127.8315 52.7431 41.9012 175.5853 6 A 4.7640 8.4227 130.2550 51.6402 19.6436 175.5475 7 L 4.2464 8.5144 120.1365 57.5977 42.0300 178.1812 8 G 3.9961 9.1689 111.7739 45.3671 0.0000 173.5676 9 Q 4.3948 7.5607 118.7427 54.7420 29.9976 175.6362 10 V 4.2679 7.9402 121.0425 59.9230 33.3555 175.4120 11 C 4.3372 8.4928 119.6335 60.1500 28.6775 172.0521 12 P 4.7743 0.0000 0.0000 63.1960 31.7878 178.2376 13 I 3.6744 7.4570 121.1330 65.0018 37.0354 176.1064 14 P 4.2320 0.0000 0.0000 65.7403 31.1046 178.8496 15 V 3.6057 7.7274 116.4224 65.9332 31.3976 178.0473 16 I 3.7179 7.9132 119.6185 64.4391 36.9863 178.5962 17 R 3.8977 8.3559 119.0707 59.1631 29.8674 179.0435 18 A 3.9873 8.2014 120.6435 55.0487 18.3408 179.6432 19 K 3.9607 8.3792 118.4740 59.4685 32.1261 179.1981 20 K 3.9526 8.4153 118.9128 59.4917 31.7817 179.1810 21 A 4.0055 7.9091 119.7724 55.0650 18.6756 179.4489 22 L 4.0024 8.1718 117.3803 57.8667 41.5691 179.5183 23 A 4.1749 8.2699 119.5338 54.4938 18.3611 178.6699 24 E 4.2505 7.5873 115.6453 57.6904 29.9691 177.9720 25 L 4.1859 7.7528 117.8048 55.5778 42.3473 178.3123 26 G 3.9744 8.2162 108.7196 44.9960 0.0000 173.7290 27 E 4.0272 8.7360 116.3219 58.9794 29.5089 178.4135 28 A 3.9488 8.0262 120.5102 52.6195 18.7428 178.5634 29 G 3.8990 7.7464 105.5157 44.8414 0.0000 172.7540 30 G 3.8105 7.0239 102.8133 45.7519 0.0000 170.5301 31 V 4.7498 8.0012 119.5112 61.0156 34.6580 176.3874 32 V 4.6369 9.2558 127.7910 61.3562 34.1952 174.0744 33 T 5.0887 9.1662 118.7620 60.0181 71.6377 173.6066 34 V 4.8493 8.8691 123.5301 61.2156 35.1259 174.0096 35 L 4.9570 9.0037 128.5151 53.9104 42.9711 176.1968 36 V 4.7988 9.1404 117.3671 59.1033 36.0666 175.7666 37 D 5.0991 8.3864 120.3309 52.6093 39.4839 176.0977 38 N 4.8230 7.6106 115.0288 51.6742 40.9129 174.4980 39 D 4.3077 8.6102 122.1910 57.4513 40.8896 179.1650 40 I 3.6548 7.7053 120.0715 64.4767 37.1516 178.4177 41 S 4.0763 8.7850 116.4093 61.4169 62.5582 176.6160 42 R 3.7732 7.5764 120.8192 59.5579 29.7331 178.5070 43 Q 3.8809 8.1224 117.8615 59.0869 28.4851 178.6930 44 N 4.3055 7.9816 116.2588 56.2993 38.6479 177.1110 45 L 4.1445 8.2686 119.5790 58.0102 42.0273 179.3722 46 Q 4.2348 8.4486 118.3448 58.5763 28.6022 179.2726 47 K 4.3599 8.1146 117.0266 56.8020 31.8410 178.7923 *49 A 4.3921 7.9786 124.1451 52.3021 20.4800 179.7536 50 E 3.8983 8.8461 112.9682 59.6758 29.5524 178.9197 51 G 3.6960 8.3413 108.3292 46.2369 0.0000 173.6085 *53 G 3.6650 7.8973 106.1091 45.2588 0.0000 172.7125 54 Y 5.1714 7.9329 116.4643 55.8662 40.8310 176.1847 55 Q 4.6008 8.4354 120.0093 56.0406 30.4035 175.1570 56 S 5.6661 8.2673 114.6512 58.1033 66.2830 172.4684 57 E 5.0515 8.6294 119.0711 55.6100 34.3486 173.3965 58 Y 5.4204 8.0830 117.4200 55.8232 41.3202 174.1560 59 L 4.5660 9.0567 122.4799 53.5519 45.9637 174.9635 60 E 4.6702 8.9024 125.9769 55.5797 29.9152 176.0217 61 K 4.4479 8.7738 127.1492 55.0749 34.9293 176.5035 62 D 4.4771 8.3639 118.5822 55.9867 41.3435 175.9094 63 N 4.1533 9.1830 119.1307 54.9225 36.8403 175.2527 64 G 3.9071 8.4566 102.5439 45.0507 0.0000 174.4342 65 V 3.9296 7.3391 120.3284 62.7955 32.8409 174.6758 66 I 4.8660 9.1954 129.3672 59.7105 39.4064 174.0162 67 E 5.0332 9.2732 128.9511 54.5224 31.7426 174.4279 68 V 4.7959 8.7599 127.5088 61.5524 34.0971 174.1343 69 T 5.0442 9.0471 125.2697 61.9191 70.9094 173.4218 70 I 4.9919 9.0220 127.3927 59.3992 40.6491 174.5864 71 V 4.6224 8.8665 126.7123 61.2672 33.2727 175.5883 72 A 4.1887 8.8750 129.3231 52.5538 20.6553 176.9749 73 G 4.2329 7.9342 106.1608 45.1369 0.0000 172.7141 74 E 4.0437 8.4378 125.8590 56.6850 29.4713 176.3756 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 I 7.88 4.16 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 1.34 0.72 0.94 0.00 0.00 3 T 8.57 4.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 I 9.11 4.29 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 1.11 0.76 0.91 0.00 0.00 5 D 8.78 4.91 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.76 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 7 L 8.51 4.25 0.00 1.67 1.62 0.95 0.91 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 8 G 9.17 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 9 Q 7.56 4.39 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 10 V 7.94 4.27 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 0.80 0.00 0.00 0.93 0.00 0.00 11 C 8.49 4.34 0.00 2.97 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 12 P 0.00 4.77 0.00 2.25 2.24 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 13 I 7.46 3.67 1.96 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 1.63 0.97 0.91 0.00 0.00 14 P 0.00 4.23 0.00 2.15 2.10 0.00 3.59 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 2.11 2.15 0.00 15 V 7.73 3.61 2.20 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 1.17 0.00 0.00 0.97 0.00 0.00 16 I 7.91 3.72 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.91 0.00 0.00 17 R 8.36 3.90 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 18 A 8.20 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.38 3.96 0.00 1.94 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 20 K 8.42 3.95 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.78 7.81 21 A 7.91 4.01 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 22 L 8.17 4.00 0.00 1.90 1.73 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.27 4.17 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.59 4.25 0.00 2.15 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 2.32 2.39 0.00 25 L 7.75 4.19 0.00 1.74 1.68 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.22 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 0.00 0.00 0.00 27 E 8.74 4.03 0.00 1.98 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 2.33 2.27 0.00 28 A 8.03 3.95 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 29 G 7.75 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 30 G 7.02 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.00 4.75 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 0.83 0.00 0.00 0.90 0.00 0.00 32 V 9.26 4.64 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 0.93 0.00 0.00 0.87 0.00 0.00 33 T 9.17 5.09 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 34 V 8.87 4.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 35 L 9.00 4.96 0.00 1.62 1.59 0.93 0.62 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 36 V 9.14 4.80 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 0.81 0.00 0.00 0.92 0.00 0.00 37 D 8.39 5.10 0.00 2.73 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 38 N 7.61 4.82 0.00 2.96 2.90 0.00 0.00 6.15 8.07 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 39 D 8.61 4.31 0.00 2.76 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 40 I 7.71 3.65 2.05 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 1.62 0.83 0.89 0.00 0.00 41 S 8.78 4.08 0.00 3.95 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 42 R 7.58 3.77 0.00 1.73 1.90 0.00 2.75 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 43 Q 8.12 3.88 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 44 N 7.98 4.31 0.00 2.82 2.87 0.00 0.00 7.12 7.52 0.00 0.00 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 L 8.27 4.14 0.00 1.72 1.74 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.45 4.23 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 47 K 8.11 4.36 0.00 1.78 1.81 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.65 7.81 *49 A 7.98 4.39 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 50 E 8.85 3.90 0.00 2.03 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 2.48 2.27 0.00 51 G 8.34 3.70 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 0.00 *53 G 7.90 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.93 5.17 0.00 2.94 2.90 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 55 Q 8.44 4.60 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 56 S 8.27 5.67 0.00 3.97 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 57 E 8.63 5.05 0.00 1.87 1.82 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 2.31 2.24 0.00 58 Y 8.08 5.42 0.00 3.00 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 59 L 9.06 4.57 0.00 1.66 1.48 0.86 1.22 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 60 E 8.90 4.67 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 61 K 8.77 4.45 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.57 7.81 62 D 8.36 4.48 0.00 2.74 2.58 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 63 N 9.18 4.15 0.00 2.84 2.93 0.00 0.00 7.07 7.98 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 64 G 8.46 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 65 V 7.34 3.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 66 I 9.20 4.87 1.99 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 1.18 0.64 1.01 0.00 0.00 67 E 9.27 5.03 0.00 2.03 1.83 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 2.24 2.24 0.00 68 V 8.76 4.80 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 0.97 0.00 0.00 0.95 0.00 0.00 69 T 9.05 5.04 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 1.21 0.00 0.00 70 I 9.02 4.99 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.98 0.97 0.00 0.00 71 V 8.87 4.62 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 0.94 0.00 0.00 0.92 0.00 0.00 72 A 8.87 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.93 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 0.00 0.00 0.00 74 E 8.44 4.04 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 2.28 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.