NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4214 8.2644 123.5829 51.2808 20.5656 175.0615 3 K 3.9957 7.3706 126.8987 54.7667 35.2448 172.2382 4 H 4.2503 8.9090 116.9188 57.7553 30.3130 174.2250 5 P 4.5439 0.0000 0.0000 62.6994 32.9099 176.8641 6 V 4.4682 7.9604 118.6084 59.2896 34.0362 172.1220 7 P 4.1708 0.0000 0.0000 63.5077 31.1156 176.3302 8 K 4.1353 8.6767 123.8466 58.6358 32.5701 176.5975 9 K 4.6652 7.4714 115.2665 54.1450 36.1359 175.4968 10 K 4.0830 8.4016 122.4615 56.3491 32.7363 176.8642 11 T 4.0090 8.4006 123.3786 63.0862 68.9390 175.1192 12 S 4.2509 8.6870 121.8219 58.7029 64.7702 175.4579 13 K 3.8480 8.7335 122.2773 60.0549 31.7139 178.9218 14 A 3.9666 7.9689 120.6953 55.0824 18.5367 179.3333 15 R 3.8325 8.7230 116.8278 59.2254 29.9246 178.8551 16 R 3.8592 7.9645 118.2877 59.6670 30.4817 177.9437 17 D 4.4280 8.3279 118.3989 56.9077 40.8395 178.5189 18 A 3.9612 8.6238 121.9849 55.4727 18.1749 179.6583 19 R 3.9105 7.6470 115.0242 59.3910 30.3419 177.9476 20 R 4.3036 7.9064 116.0903 56.0274 29.7139 178.0676 21 S 4.0495 7.9022 115.6336 62.0770 62.7238 176.6820 22 H 4.8592 7.8292 113.1277 56.3293 27.8313 175.9372 23 H 4.3744 8.4227 118.5584 56.9434 29.0751 175.9948 24 A 4.0214 7.2864 122.6309 52.1755 18.4943 177.5128 25 L 4.2378 8.4158 122.8343 54.7193 42.4790 176.5082 26 T 4.5283 8.0893 110.3572 58.8099 70.2672 172.2430 27 P 4.2314 0.0000 0.0000 62.1187 31.4682 174.2431 28 P 4.3760 0.0000 0.0000 63.1969 31.4857 175.3794 29 T 4.5544 8.3184 109.1111 60.2187 70.4803 173.2740 30 L 4.9775 8.5100 125.0947 52.8924 45.2104 175.9723 31 V 4.3916 8.6655 112.0612 59.6447 35.9152 174.8705 32 P 3.9299 0.0000 0.0000 65.5514 31.6120 176.3319 33 C 4.0064 8.5087 115.6559 59.0259 33.6352 169.4158 34 P 4.2497 0.0000 0.0000 65.0181 30.6000 178.9091 35 E 4.3043 9.4406 124.1310 55.6599 27.5081 174.4119 36 C 4.8987 6.9244 119.6290 59.6283 34.5560 172.7340 37 K 4.2475 8.5281 120.0788 58.1393 33.4184 177.2722 38 A 3.9029 7.9708 120.8744 52.8371 18.4759 176.9392 39 M 4.8867 8.3903 122.0639 55.2165 33.5369 175.1627 40 K 4.5041 8.0245 116.9449 55.4302 36.1598 172.7517 41 P 5.0071 0.0000 0.0000 61.0520 32.6360 174.1559 42 P 4.2306 0.0000 0.0000 64.8912 31.5268 175.9090 43 H 4.5231 9.3301 116.9294 57.1329 25.6995 174.0736 44 T 4.4432 7.2013 108.9301 59.7210 71.0888 173.3231 45 V 3.6191 7.7573 120.8774 60.7034 32.0886 174.5152 46 C 3.6795 8.3207 127.3832 59.2509 31.6020 172.7242 47 P 4.4122 0.0000 0.0000 63.9358 30.5201 176.0039 48 E 4.7357 8.2155 115.0525 57.4931 35.3091 176.9473 49 C 3.9190 8.0050 117.4085 61.5610 28.8992 170.9100 50 G 3.8888 7.5735 112.8333 44.2610 0.0000 172.7254 51 Y 4.0573 7.9560 120.5809 57.1700 38.8107 175.8626 52 Y 4.1578 6.7650 119.1321 58.2987 38.5409 175.3839 53 A 3.8612 8.8792 122.8160 53.1747 16.3969 176.5895 54 G 4.2259 7.6701 105.4913 44.8203 0.0000 173.0444 55 R 4.1504 8.3376 119.5341 55.4897 30.6479 175.1826 56 K 4.9138 8.1131 124.0898 54.2615 36.1045 177.5973 57 V 4.2057 7.8164 116.6165 61.7829 32.4626 180.0136 58 L 4.8932 8.9242 126.3283 54.0879 44.5461 174.3136 59 E 4.6854 8.4739 119.9928 55.2068 33.8066 175.7203 60 V 3.9941 8.1043 118.1797 63.5278 31.9497 175.0919 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 8.26 4.42 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.37 4.00 0.00 1.74 1.55 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.54 7.81 4 H 8.91 4.25 0.00 3.13 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.54 0.00 2.21 2.01 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 6 V 7.96 4.47 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 0.72 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.17 0.00 2.19 2.14 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 8 K 8.68 4.14 0.00 1.72 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.47 4.67 0.00 1.72 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.40 4.08 0.00 1.71 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 11 T 8.40 4.01 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 12 S 8.69 4.25 0.00 4.04 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 13 K 8.73 3.85 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.97 3.97 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.72 3.83 0.00 1.85 1.95 0.00 3.10 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 R 7.96 3.86 0.00 1.83 2.09 0.00 3.30 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 17 D 8.33 4.43 0.00 2.73 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 18 A 8.62 3.96 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 19 R 7.65 3.91 0.00 1.87 2.27 0.00 3.29 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 20 R 7.91 4.30 0.00 1.94 1.73 0.00 3.13 0.00 0.00 3.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.79 0.00 21 S 7.90 4.05 0.00 3.90 4.16 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 22 H 7.83 4.86 0.00 3.18 3.36 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.42 4.37 0.00 3.32 3.38 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.29 4.02 1.22 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 0.00 0.00 25 L 8.42 4.24 0.00 1.65 1.63 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.09 4.53 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 27 P 0.00 4.23 0.00 2.19 2.13 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 28 P 0.00 4.38 0.00 2.20 2.11 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 T 8.32 4.55 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 1.22 0.00 0.00 30 L 8.51 4.98 0.00 1.50 1.67 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.67 4.39 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 0.88 0.00 0.00 0.95 0.00 0.00 32 P 0.00 3.93 0.00 2.05 2.09 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 33 C 8.51 4.01 0.00 2.96 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 34 P 0.00 4.25 0.00 2.17 1.60 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 35 E 9.44 4.30 0.00 1.98 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 2.39 2.31 0.00 36 C 6.92 4.90 0.00 2.95 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 37 K 8.53 4.25 0.00 1.89 1.90 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.41 7.81 38 A 7.97 3.90 1.26 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 0.00 0.00 0.00 39 M 8.39 4.89 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 40 K 8.02 4.50 0.00 1.80 1.81 0.00 1.15 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.19 1.32 7.81 41 P 0.00 5.01 0.00 2.13 2.21 0.00 3.83 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 2.04 1.78 0.00 42 P 0.00 4.23 0.00 2.20 2.10 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 43 H 9.33 4.52 0.00 3.41 3.62 0.00 5.70 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.20 4.44 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 1.22 0.00 0.00 45 V 7.76 3.62 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 0.69 0.00 0.00 0.73 0.00 0.00 46 C 8.32 3.68 0.00 2.86 2.81 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 47 P 0.00 4.41 0.00 2.19 2.11 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 48 E 8.22 4.74 0.00 2.18 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 2.18 2.29 0.00 49 C 8.00 3.92 0.00 2.87 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 50 G 7.57 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 51 Y 7.96 4.06 0.00 2.74 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 0.00 0.00 0.00 52 Y 6.76 4.16 0.00 3.14 3.10 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 0.00 0.00 0.00 53 A 8.88 3.86 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.67 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 55 R 8.34 4.15 0.00 1.90 1.81 0.00 3.17 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 56 K 8.11 4.91 0.00 1.86 1.94 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.50 7.81 57 V 7.82 4.21 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 0.68 0.00 0.00 0.96 0.00 0.00 58 L 8.92 4.89 0.00 1.48 1.53 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.47 4.69 0.00 1.89 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 2.20 2.22 0.00 60 V 8.10 3.99 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 0.79 0.00 0.00 0.93 0.00 0.00