NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9898 8.3544 109.7373 46.0566 0.0000 171.5069 2 S 4.3539 8.2014 110.1739 56.6473 67.0513 172.6709 3 S 4.5332 7.8679 110.7133 57.8969 66.1362 173.9969 4 G 3.8053 8.4256 104.9465 44.7724 0.0000 172.8826 5 S 4.5892 8.4298 118.3815 56.9185 64.3407 174.3898 6 S 4.3227 8.3163 117.8197 57.1287 64.8229 174.6756 7 G 3.7255 8.3991 115.9636 44.3731 0.0000 172.9727 8 V 2.9328 7.6222 125.0852 61.8504 29.0965 176.5445 9 G 3.8348 7.7506 111.3090 48.4934 0.0000 176.5158 10 T 3.7507 7.9280 116.7857 66.4526 68.5292 176.2381 11 I 3.8156 7.9369 121.1432 65.0150 36.9554 177.4629 12 D 4.4573 7.3427 115.7333 57.6466 41.2860 178.6182 13 Q 4.2082 7.6292 117.7151 58.7871 29.1273 177.2976 14 L 3.9621 8.4832 121.2972 58.6265 41.9744 178.9172 15 V 3.5163 8.2933 117.3395 66.3217 31.4666 177.9514 16 K 3.8745 7.7314 118.0792 60.4366 31.9739 177.9528 17 R 3.9592 8.5586 118.5682 58.8454 29.7336 179.0311 18 V 3.7598 7.7864 114.1595 64.5847 31.7443 178.6197 19 I 3.9308 7.3224 118.8278 64.2817 37.3213 177.6954 20 E 4.1956 8.5359 118.1046 56.6076 29.6444 178.9191 21 G 3.9672 8.6412 107.8342 45.2869 0.0000 175.4552 22 S 4.0558 7.3262 114.2754 60.3281 62.5309 174.2013 23 L 4.6938 7.3297 119.1554 53.3418 41.7284 176.5274 24 S 4.3280 8.4419 117.5706 58.0325 62.1175 173.7466 25 P 4.0856 0.0000 0.0000 65.6559 31.7452 178.8124 26 K 4.1676 8.1038 119.5498 59.1095 31.9219 178.1625 27 E 3.9189 8.2166 117.5990 59.7517 29.6694 179.0447 28 R 3.9555 7.4098 117.2340 59.9540 29.7417 179.0591 29 T 3.8670 7.3552 114.2347 66.8721 68.3521 176.6586 30 L 4.0196 7.9366 120.7174 57.4649 41.5774 179.1311 31 L 3.7570 7.6901 119.1682 58.0703 41.2466 179.8445 32 K 3.9808 7.4184 116.3174 59.2971 32.0548 178.7973 33 E 4.1106 8.2764 117.5461 57.1044 29.5359 176.3637 34 D 4.9012 7.5148 119.7579 51.8641 42.7866 175.4366 35 P 4.3303 0.0000 0.0000 65.5873 31.7095 177.5692 36 A 3.9305 7.9597 120.8680 54.3534 19.0002 177.1450 37 Y 3.8086 7.0472 113.6288 56.7226 37.9872 177.6345 38 W 4.2527 7.2857 119.7011 59.1475 29.4590 178.7172 39 F 3.7916 5.9952 113.7893 59.1762 37.2547 177.1793 40 L 4.0456 6.3345 120.2389 58.1534 41.4716 178.9290 41 S 4.2695 7.7240 112.9603 61.4101 62.9534 175.0778 42 D 4.5724 8.0121 118.3024 54.2376 41.6099 175.3359 43 E 3.3575 8.2689 121.0542 57.0824 32.2788 176.0321 44 N 4.7201 7.7998 116.7466 54.0032 38.9165 173.5804 45 S 4.8941 7.7344 110.5505 55.9362 66.9067 173.8691 46 L 4.2818 8.4231 119.8798 57.9819 42.0931 177.8914 47 E 3.2382 7.8905 117.8908 59.4411 28.9425 178.5390 48 Y 3.9765 7.3894 117.5681 59.8362 38.8432 177.4778 49 K 4.1386 8.4003 119.7189 59.0937 31.9589 178.4473 50 Y 3.9520 7.9897 117.1274 60.6515 37.9932 176.6943 51 Y 4.1336 7.4931 119.7729 60.9005 38.5470 178.5774 52 K 3.8001 7.3005 117.8988 58.8308 32.7724 178.0814 53 L 4.0100 7.6129 120.9210 56.6128 42.0334 178.2990 54 K 4.1215 8.3561 121.3686 58.9590 32.2117 178.7986 55 L 3.8417 7.2465 117.2690 57.7857 42.1261 178.6337 56 A 3.9722 8.1296 121.4799 55.0415 18.1628 179.4093 57 E 3.9535 7.9543 115.6343 59.6698 29.7935 178.9713 58 M 4.0839 7.8798 118.7012 57.7550 32.0581 178.5389 59 Q 4.1080 8.3046 118.4812 58.7187 29.0694 178.3589 60 R 4.1847 7.5605 115.4613 58.1074 29.6788 176.8387 61 S 4.3411 8.1134 116.0114 58.1777 62.8739 170.0786 62 G 3.7935 8.8105 122.6460 44.2771 0.0000 172.1197 63 P 4.4475 0.0000 0.0000 61.6474 33.0684 176.9393 64 S 4.2417 8.3554 114.1175 58.7803 62.8123 174.7027 65 S 4.5710 8.0206 118.1162 56.6447 65.0320 175.9491 66 G 3.6259 8.7225 112.5966 45.0439 0.0000 171.3590 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 G 8.35 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 0.00 0.00 0.00 2 S 8.20 4.35 0.00 3.86 3.80 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 0.00 0.00 0.00 0.00 3 S 7.87 4.53 0.00 3.96 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 4 G 8.43 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 5 S 8.43 4.59 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.32 0.00 3.84 3.72 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 7 G 8.40 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 0.00 0.00 0.00 8 V 7.62 2.93 0.97 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 -0.30 0.00 0.00 0.71 0.00 0.00 9 G 7.75 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 10 T 7.93 3.75 4.29 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 1.32 0.00 0.00 11 I 7.94 3.82 1.88 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 1.08 0.00 0.00 12 D 7.34 4.46 0.00 2.90 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 13 Q 7.63 4.21 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 14 L 8.48 3.96 0.00 1.88 1.98 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.29 3.52 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 0.99 0.00 0.00 1.01 0.00 0.00 16 K 7.73 3.87 0.00 2.00 2.01 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 17 R 8.56 3.96 0.00 1.94 1.90 0.00 3.24 0.00 0.00 3.18 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 18 V 7.79 3.76 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 0.84 0.00 0.00 0.95 0.00 0.00 19 I 7.32 3.93 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 0.91 0.00 0.00 20 E 8.54 4.20 0.00 2.00 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 2.36 2.41 0.00 21 G 8.64 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 22 S 7.33 4.06 0.00 3.83 3.96 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 23 L 7.33 4.69 0.00 1.81 1.62 0.92 0.70 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 24 S 8.44 4.33 0.00 3.90 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 25 P 0.00 4.09 0.00 2.21 2.30 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 26 K 8.10 4.17 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.58 7.81 27 E 8.22 3.92 0.00 2.13 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 2.37 0.00 28 R 7.41 3.96 0.00 1.83 1.98 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 29 T 7.36 3.87 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 1.20 0.00 0.00 30 L 7.94 4.02 0.00 1.85 1.70 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.69 3.76 0.00 1.43 0.73 0.60 -0.06 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 32 K 7.42 3.98 0.00 1.71 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.54 7.81 33 E 8.28 4.11 0.00 2.04 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 2.34 2.54 0.00 34 D 7.51 4.90 0.00 3.00 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 35 P 0.00 4.33 0.00 2.25 2.19 0.00 3.84 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 1.98 1.97 0.00 36 A 7.96 3.93 0.77 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 0.00 0.00 37 Y 7.05 3.81 0.00 2.92 2.32 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 38 W 7.29 4.25 0.00 3.49 3.41 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 39 F 6.00 3.79 0.00 2.82 1.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.33 4.05 0.00 1.71 1.71 0.68 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.72 4.27 0.00 3.92 3.98 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 42 D 8.01 4.57 0.00 2.99 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 43 E 8.27 3.36 0.00 1.75 1.76 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 1.47 1.89 0.00 44 N 7.80 4.72 0.00 2.67 2.83 0.00 0.00 7.03 7.32 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 45 S 7.73 4.89 0.00 4.12 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 46 L 8.42 4.28 0.00 1.71 1.66 0.63 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.89 3.24 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 2.05 2.19 0.00 48 Y 7.39 3.98 0.00 3.27 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 49 K 8.40 4.14 0.00 2.07 2.01 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.61 7.81 50 Y 7.99 3.95 0.00 2.98 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 51 Y 7.49 4.13 0.00 3.23 2.87 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 52 K 7.30 3.80 0.00 1.62 1.72 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.74 1.17 7.81 53 L 7.61 4.01 0.00 1.57 1.62 0.63 0.87 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 54 K 8.36 4.12 0.00 1.87 1.79 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.34 7.81 55 L 7.25 3.84 0.00 1.67 1.50 0.75 0.56 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 56 A 8.13 3.97 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 57 E 7.95 3.95 0.00 2.15 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 2.42 2.37 0.00 58 M 7.88 4.08 0.00 1.99 2.17 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 2.69 0.00 59 Q 8.30 4.11 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 60 R 7.56 4.18 0.00 1.97 2.14 0.00 3.03 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 61 S 8.11 4.34 0.00 4.00 3.80 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 0.00 0.00 0.00 0.00 62 G 8.81 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 63 P 0.00 4.45 0.00 2.17 2.05 0.00 3.84 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 64 S 8.36 4.24 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 65 S 8.02 4.57 0.00 3.82 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 66 G 8.72 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00