NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3933 8.3193 116.7774 57.6043 64.5811 172.4548 2 P 3.7857 0.0000 0.0000 63.6129 31.2786 176.0959 3 Y 4.7258 8.6377 113.8622 57.0544 42.2028 177.3526 4 S 4.5505 7.6755 120.7004 57.5607 62.8972 175.9453 5 S 4.6407 7.5377 114.8282 57.7823 63.1395 173.4557 6 D 4.8789 7.3954 118.1723 53.2306 45.3106 175.9473 7 T 4.1932 8.2819 110.5233 61.9380 69.5807 173.7726 8 T 4.5304 8.1176 118.9527 61.1008 70.6293 173.4572 9 P 4.4945 0.0000 0.0000 62.2449 30.0485 174.7494 10 C 4.5543 8.4314 122.3290 55.7361 41.4918 174.0898 11 C 4.7172 8.1996 122.4922 55.2054 41.3859 173.6695 12 F 4.2124 8.7025 121.0780 57.1378 40.9826 175.4562 13 A 4.1602 7.6948 122.3869 51.1261 19.8356 176.4835 14 Y 4.9164 7.8927 116.0855 56.0439 40.1159 175.4460 15 I 3.8111 8.3932 126.0203 61.0205 38.5031 176.0296 16 A 4.3485 8.8201 131.1073 55.0632 18.6687 178.0509 17 R 4.1251 7.7502 113.5674 54.9318 30.9539 174.6009 18 P 2.0000 0.0000 0.0000 61.3805 32.1858 174.9140 19 L 4.3900 6.9729 118.3475 51.7136 44.3284 174.4551 20 P 4.3247 0.0000 0.0000 62.2874 31.5063 177.2182 21 R 3.5251 8.5093 123.1870 57.6299 30.1594 176.3472 22 A 4.4321 7.7228 118.4832 53.5720 19.3773 177.0389 23 H 4.7707 8.3146 111.6611 55.2341 30.5980 173.5318 24 I 4.5860 7.3708 122.1207 59.3459 35.3207 175.4012 25 K 3.9818 8.0756 124.9686 58.3226 32.8440 176.0446 26 E 5.0066 8.4467 115.1757 55.4622 33.0865 172.8181 27 Y 4.8288 7.7292 118.8511 55.7692 42.0987 173.4839 28 F 4.4373 7.4480 111.0722 56.6352 41.3204 173.2241 29 Y 5.0039 9.0078 118.2392 57.7645 39.7133 174.8640 30 T 4.7308 8.4994 109.8557 60.8499 72.4629 173.8580 31 S 4.5708 8.6495 115.3449 59.7329 66.2614 173.5594 32 G 3.8794 7.8464 106.8676 45.9897 0.0000 173.5026 33 K 4.6254 7.8342 118.2240 56.0814 33.1861 177.5225 34 C 5.2721 7.6042 114.9758 54.8296 43.8228 174.5712 35 S 4.2595 9.1639 116.3224 61.3140 62.2926 174.2587 36 N 5.1060 7.6713 114.6558 50.8722 42.4015 171.9742 37 P 5.0996 0.0000 0.0000 62.1768 32.4604 175.1974 38 A 4.7401 8.2198 122.2732 51.0022 23.5072 174.7510 39 V 4.0197 8.3549 119.1374 61.8466 34.2012 175.1565 40 V 4.8484 7.5485 122.3199 60.3351 34.6164 174.0391 41 F 4.8069 8.6509 127.9034 56.4312 40.4940 174.9217 42 V 4.8928 8.4646 125.3553 61.7171 33.1715 176.1463 43 T 5.5647 8.0288 118.4263 60.1739 71.1044 174.4414 44 R 4.1457 8.4164 118.3346 58.6441 30.5633 177.4043 45 K 4.4461 7.7964 116.5120 56.6321 32.2175 176.7246 46 N 4.1454 7.6963 113.3738 54.2259 36.9847 174.3667 47 R 4.4205 7.5322 116.3987 55.4498 31.2787 175.6533 48 Q 4.7304 8.7218 123.9898 54.9434 29.9954 175.5956 49 V 4.6072 8.6781 123.2928 61.2974 35.5079 173.1336 50 C 5.5884 8.7903 120.8088 55.2307 42.7558 172.8277 51 A 5.0903 8.7465 124.4269 50.2777 22.1756 174.7320 52 N 4.4165 8.4588 120.3852 51.7323 39.9991 173.6178 53 P 4.4671 0.0000 0.0000 63.6285 31.5914 176.2501 54 E 4.2805 7.2947 116.3149 56.3488 29.4472 176.0442 55 K 4.2516 7.2243 119.6963 55.0694 33.9124 175.8558 56 K 4.2714 8.1519 117.0818 57.3139 33.8421 177.6555 57 W 4.5818 7.1950 116.1189 57.3874 29.1017 178.1810 58 V 2.7120 5.8690 119.0549 65.6370 31.0162 177.6850 59 R 3.9262 7.5069 117.5661 58.7562 29.8805 178.2742 60 E 3.9178 7.5581 118.6780 59.8356 29.4684 178.7287 61 Y 5.0555 7.5170 117.8574 60.8156 38.0354 178.3885 62 I 3.6330 7.7664 121.6097 63.6139 36.9515 177.6715 63 N 4.5324 8.1937 117.4421 56.0707 39.1735 176.7325 64 S 4.3987 8.3268 115.1840 60.0969 63.1301 175.9643 65 L 4.2119 8.0194 123.6177 57.0479 43.2401 177.1673 66 E 4.4338 8.0223 117.8221 55.4412 29.0253 175.3534 67 M 4.2622 7.7620 118.5027 55.8734 32.9701 175.7493 68 S 4.4242 8.5105 112.5193 58.5540 63.4660 173.7522 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 S 8.32 4.39 0.00 3.78 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 2 P 0.00 3.79 0.00 2.29 1.93 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 3 Y 8.64 4.73 0.00 3.01 2.89 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 4 S 7.68 4.55 0.00 3.86 3.84 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 5 S 7.54 4.64 0.00 4.01 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 6 D 7.40 4.88 0.00 2.61 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 7 T 8.28 4.19 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 1.23 0.00 0.00 8 T 8.12 4.53 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 1.22 0.00 0.00 9 P 0.00 4.49 0.00 2.34 2.15 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 10 C 8.43 4.55 0.00 3.10 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 11 C 8.20 4.72 0.00 2.86 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 12 F 8.70 4.21 0.00 2.86 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 13 A 7.69 4.16 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 14 Y 7.89 4.92 0.00 3.03 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 15 I 8.39 3.81 2.03 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 1.59 0.82 1.37 0.00 0.00 16 A 8.82 4.35 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 17 R 7.75 4.13 0.00 1.74 1.71 0.00 3.14 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 1.60 1.59 0.00 18 P 0.00 2.00 0.00 1.40 0.49 0.00 3.40 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 19 L 6.97 4.39 0.00 1.23 1.41 0.51 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.32 0.00 2.10 2.06 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.78 0.00 21 R 8.51 3.53 0.00 1.86 1.98 0.00 3.39 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.83 0.00 22 A 7.72 4.43 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 23 H 8.31 4.77 0.00 3.10 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.37 4.59 1.65 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.43 1.00 0.00 0.00 25 K 8.08 3.98 0.00 1.83 1.85 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 26 E 8.45 5.01 0.00 2.08 2.02 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 2.28 2.38 0.00 27 Y 7.73 4.83 0.00 2.22 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 28 F 7.45 4.44 0.00 3.07 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 29 Y 9.01 5.00 0.00 2.95 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 30 T 8.50 4.73 4.38 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 1.43 0.00 0.00 31 S 8.65 4.57 0.00 3.84 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 32 G 7.85 3.88 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 0.00 0.00 0.00 33 K 7.83 4.63 0.00 1.78 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 34 C 7.60 5.27 0.00 2.81 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 35 S 9.16 4.26 0.00 4.15 4.12 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 0.00 0.00 0.00 0.00 36 N 7.67 5.11 0.00 2.81 2.74 0.00 0.00 7.10 8.20 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 37 P 0.00 5.10 0.00 2.23 2.09 0.00 3.42 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 38 A 8.22 4.74 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.35 4.02 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 -0.24 0.00 0.00 0.19 0.00 0.00 40 V 7.55 4.85 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 0.64 0.00 0.00 0.97 0.00 0.00 41 F 8.65 4.81 0.00 3.11 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 42 V 8.46 4.89 2.40 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 1.17 0.00 0.00 1.03 0.00 0.00 43 T 8.03 5.56 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 1.25 0.00 0.00 44 R 8.42 4.15 0.00 1.88 2.00 0.00 3.02 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 45 K 7.80 4.45 0.00 1.88 1.82 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.42 7.81 46 N 7.70 4.15 0.00 2.79 2.90 0.00 0.00 6.87 7.55 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 47 R 7.53 4.42 0.00 1.82 1.90 0.00 3.30 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 48 Q 8.72 4.73 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.87 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 49 V 8.68 4.61 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 1.10 0.00 0.00 0.99 0.00 0.00 50 C 8.79 5.59 0.00 3.06 3.09 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 51 A 8.75 5.09 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.46 4.42 0.00 1.51 2.11 0.00 0.00 6.56 7.36 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 53 P 0.00 4.47 0.00 2.17 2.17 0.00 3.50 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 54 E 7.29 4.28 0.00 1.83 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 2.17 2.11 0.00 55 K 7.22 4.25 0.00 1.07 0.99 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.13 1.02 7.81 56 K 8.15 4.27 0.00 1.81 1.88 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.49 7.81 57 W 7.19 4.58 0.00 3.28 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 58 V 5.87 2.71 1.40 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 0.78 0.00 0.00 -1.03 0.00 0.00 59 R 7.51 3.93 0.00 1.79 1.80 0.00 3.20 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 60 E 7.56 3.92 0.00 1.86 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 2.27 2.38 0.00 61 Y 7.52 5.06 0.00 3.22 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 62 I 7.77 3.63 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.03 1.18 0.00 0.00 63 N 8.19 4.53 0.00 2.76 3.05 0.00 0.00 7.28 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 64 S 8.33 4.40 0.00 4.23 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 0.00 65 L 8.02 4.21 0.00 2.28 2.14 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.02 4.43 0.00 2.29 2.02 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 2.44 2.52 0.00 67 M 7.76 4.26 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 68 S 8.51 4.42 0.00 4.02 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