NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3641 8.3033 118.7991 55.7502 30.6223 176.5134 4 V 3.8351 8.0751 112.0111 63.5391 31.6402 178.0074 5 C 4.6625 8.1334 116.2884 58.8307 41.1435 173.9145 6 S 4.5152 7.8775 112.7195 58.2690 63.7525 174.5687 7 E 4.1199 7.7689 121.8782 56.0735 29.7643 176.6038 8 Q 4.0763 8.4708 121.6235 55.6447 29.4395 176.3772 9 A 3.2843 7.6161 124.0213 51.8201 18.7113 177.1068 10 E 4.5592 7.8900 121.2036 54.5965 32.8563 175.9996 11 T 4.2626 8.7260 115.1229 63.0444 69.3361 175.4987 12 G 4.3112 8.4902 105.6465 45.2002 0.0000 170.9676 13 P 4.4773 0.0000 0.0000 63.5342 31.9310 177.2137 14 C 4.5682 7.7123 117.3094 56.7730 41.1492 173.5587 15 R 4.3181 8.2901 120.2303 56.4571 29.4451 176.5805 16 A 4.2805 7.8721 122.1751 51.2558 20.2709 177.6357 17 M 4.9815 7.8063 116.1292 54.2357 31.3071 174.1412 18 I 4.3676 8.4394 122.5474 60.2153 39.7606 176.6154 19 S 4.3492 8.7748 123.1421 58.4845 63.2741 173.5294 20 R 4.9579 8.3082 123.2412 54.0603 34.9753 174.2517 21 W 5.6347 9.8283 119.4811 55.3299 32.9831 174.5885 22 Y 5.5300 9.6898 121.6245 55.0525 41.4610 174.2338 23 F 4.3409 9.5464 124.4526 58.1122 40.1845 174.5844 24 D 4.1440 7.7689 127.8350 52.6215 40.8211 176.9719 25 V 3.5571 8.1491 127.3525 66.1264 31.7919 178.0498 26 T 4.0096 7.8957 115.0400 65.0914 68.1070 174.4483 27 E 4.2885 8.2168 121.7134 54.9290 31.2234 177.3287 28 G 4.2767 7.9940 105.6404 45.5315 0.0000 172.8401 29 K 4.9058 6.9351 117.6138 54.9439 36.6927 174.8989 30 C 4.8535 8.9867 118.6931 57.2743 36.7338 173.1090 31 A 5.1045 8.9907 125.4649 49.3484 22.3201 173.7620 32 P 4.4792 0.0000 0.0000 62.1970 33.0987 174.6238 33 F 4.4721 8.0134 112.7522 56.3503 41.4470 172.7433 34 F 4.9088 8.7207 118.8000 56.2638 40.1089 174.8117 35 Y 4.7287 8.9482 126.2963 56.4576 39.7925 176.6312 36 G 3.8138 8.5445 113.8353 46.8851 0.0000 175.0420 37 G 3.8359 6.8874 106.7386 45.3101 0.0000 172.2118 38 C 4.8902 6.7369 111.9704 55.9946 44.9689 174.5742 39 G 3.8842 9.0533 108.3948 47.6973 0.0000 173.6161 40 G 3.9652 9.0124 111.3754 45.0874 0.0000 169.7581 41 N 4.9643 8.0531 116.1850 51.7295 40.0574 173.8788 42 R 3.9443 7.9307 114.5839 59.0200 30.6262 177.1911 43 N 4.4264 7.7328 118.4570 51.6241 36.4913 174.2603 44 N 4.8353 6.5845 116.9000 52.8425 40.9436 173.1877 45 F 5.3786 9.4876 125.6022 55.3659 41.9493 176.9057 46 D 4.5968 9.3577 121.3045 55.9150 39.9180 176.7159 47 T 4.6213 7.7906 108.7305 58.6197 73.3499 174.3289 48 E 2.9763 7.1190 121.1833 59.1470 29.5529 178.6522 49 E 3.8730 7.7006 118.0923 59.4846 29.4660 178.6447 50 Y 4.1498 7.7367 119.4751 60.7246 38.8584 177.0402 51 C 2.7959 8.0329 119.4701 59.5405 41.0874 175.5226 52 M 3.9039 8.2967 120.4357 58.0478 31.2170 178.5396 53 A 3.9060 7.4315 120.3900 54.5539 18.7102 179.4706 54 V 3.4891 7.0823 116.0584 64.7453 33.0399 176.4389 55 C 4.5180 7.4390 117.1708 53.7520 38.8589 174.0237 56 G 3.9034 7.2340 110.8385 46.8515 0.0000 171.4281 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 3 E 8.30 4.36 0.00 2.16 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 2.25 2.45 0.00 4 V 8.08 3.84 2.12 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 1.02 0.00 0.00 1.09 0.00 0.00 5 C 8.13 4.66 0.00 3.06 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 6 S 7.88 4.52 0.00 4.05 4.04 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 0.00 0.00 0.00 7 E 7.77 4.12 0.00 2.08 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 2.34 2.57 0.00 8 Q 8.47 4.08 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 9 A 7.62 3.28 -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 10 E 7.89 4.56 0.00 1.88 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 2.13 2.33 0.00 11 T 8.73 4.26 4.36 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 1.46 0.00 0.00 12 G 8.49 4.31 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 0.00 13 P 0.00 4.48 0.00 2.18 2.17 0.00 3.95 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 14 C 7.71 4.57 0.00 2.83 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 15 R 8.29 4.32 0.00 1.75 1.89 0.00 3.33 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 16 A 7.87 4.28 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 17 M 7.81 4.98 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.70 0.00 18 I 8.44 4.37 1.95 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 1.25 0.44 0.98 0.00 0.00 19 S 8.77 4.35 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.31 4.96 0.00 0.67 1.82 0.00 3.27 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 21 W 9.83 5.63 0.00 3.49 3.32 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 22 Y 9.69 5.53 0.00 3.05 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 23 F 9.55 4.34 0.00 3.11 3.28 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 24 D 7.77 4.14 0.00 2.06 2.19 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 25 V 8.15 3.56 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 1.13 0.00 0.00 1.16 0.00 0.00 26 T 7.90 4.01 4.35 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 1.20 0.00 0.00 27 E 8.22 4.29 0.00 1.98 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 0.00 2.14 2.15 0.00 28 G 7.99 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 0.00 0.00 0.00 0.00 29 K 6.94 4.91 0.00 1.66 1.89 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.36 7.81 30 C 8.99 4.85 0.00 2.98 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 31 A 8.99 5.10 0.98 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 0.00 0.00 32 P 0.00 4.48 0.00 1.15 0.49 0.00 3.62 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.43 0.00 33 F 8.01 4.47 0.00 2.92 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 34 F 8.72 4.91 0.00 2.98 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 35 Y 8.95 4.73 0.00 2.50 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 36 G 8.54 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 37 G 6.89 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 0.00 0.00 0.00 38 C 6.74 4.89 0.00 3.07 3.08 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 39 G 9.05 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 40 G 9.01 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 41 N 8.05 4.96 0.00 2.87 2.76 0.00 0.00 5.91 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 42 R 7.93 3.94 0.00 1.85 2.00 0.00 3.17 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 43 N 7.73 4.43 0.00 3.02 2.81 0.00 0.00 6.89 7.80 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 44 N 6.58 4.84 0.00 2.59 2.47 0.00 0.00 7.14 7.02 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 45 F 9.49 5.38 0.00 3.23 3.22 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 46 D 9.36 4.60 0.00 2.87 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 47 T 7.79 4.62 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 1.23 0.00 0.00 48 E 7.12 2.98 0.00 1.16 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 0.00 2.01 1.99 0.00 49 E 7.70 3.87 0.00 2.02 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 2.31 2.29 0.00 50 Y 7.74 4.15 0.00 2.97 2.99 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 51 C 8.03 2.80 0.00 3.27 3.22 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 52 M 8.30 3.90 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 53 A 7.43 3.91 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 54 V 7.08 3.49 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 0.00 0.00 0.79 0.00 0.00 -0.03 0.00 0.00 55 C 7.44 4.52 0.00 2.89 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 56 G 7.23 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