NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5038 8.0433 122.7552 55.2156 44.1311 175.0216 2 T 4.9575 8.9922 122.3385 61.5642 71.2814 171.2692 3 C 5.2864 9.0851 123.1623 54.7045 44.7628 173.3300 4 V 4.2668 8.3009 121.7308 63.3872 31.2689 175.6573 5 T 4.6297 9.0145 116.8918 61.3671 70.8914 174.1386 6 S 4.6515 7.6663 114.6296 57.3914 66.2548 173.5207 7 K 5.1003 8.4279 121.7708 55.5129 35.3564 175.0232 8 S 4.6420 9.1284 120.7632 56.9788 66.1070 174.7407 9 I 3.6175 8.2286 113.1782 63.6998 36.8979 177.0372 10 F 4.3625 8.1269 118.7037 58.3439 39.6210 175.3923 11 G 3.7936 6.6708 107.1952 44.2012 0.0000 172.0526 12 I 5.0527 7.9957 120.5081 59.8310 40.9893 175.1424 13 T 4.7703 8.8207 122.3395 62.0213 70.9988 173.6188 14 T 5.0968 8.4443 114.6483 59.8087 72.5815 172.4723 15 E 4.6437 8.9985 122.1289 54.3057 33.3248 173.8250 16 N 4.9784 8.7786 125.4319 52.9501 39.4318 175.3048 17 C 4.5461 9.1407 125.0937 56.2499 41.3700 172.5396 18 P 4.4456 0.0000 0.0000 62.1469 31.7005 175.4017 19 D 4.5282 8.4937 119.6520 56.3219 41.2677 177.3411 20 G 3.8908 8.9531 113.4139 45.5362 0.0000 173.4159 21 Q 4.5274 7.8093 118.7571 54.7447 28.1598 174.4996 22 N 5.1331 8.5299 120.3654 52.6812 39.9612 174.3300 23 L 5.0848 8.1658 118.0438 53.2800 46.0207 175.1271 24 C 5.4448 9.2387 119.3762 55.6532 37.4909 172.8310 25 F 5.6523 8.7047 115.6147 55.2029 41.6007 173.4931 26 K 4.6108 9.3301 119.4070 54.5054 35.6201 175.1798 27 R 5.1166 8.6516 124.5463 54.3755 33.5812 173.7552 28 W 5.1798 9.8405 126.8951 55.2944 31.3388 174.7165 29 Q 5.0346 9.4382 128.1910 54.6812 29.9401 174.2127 30 Y 4.9831 9.6971 129.4310 57.8387 39.8622 174.8950 31 I 4.3655 7.9572 126.5802 59.1801 40.7117 175.0213 32 S 4.0059 8.4978 122.3872 57.2302 63.0674 171.4497 33 P 4.6465 0.0000 0.0000 62.9613 32.8199 175.6571 34 R 3.8726 8.5236 118.1470 57.8146 28.3093 176.3424 35 M 4.8236 7.3683 115.4761 53.7165 36.8627 175.4758 36 Y 5.5330 8.5755 119.7248 56.3556 40.9183 174.5989 37 D 4.7979 9.1838 124.8852 53.5997 42.7539 174.5425 38 F 5.5278 8.9510 128.2041 56.6660 41.5878 174.3808 39 T 4.4690 8.1229 115.1331 59.9639 72.4637 172.8894 40 R 4.0064 7.7115 119.9793 54.1834 34.7159 175.3853 41 G 3.8776 5.8879 107.7213 46.6023 0.0000 171.4170 42 C 5.2547 8.7301 118.3577 55.8310 40.3152 172.7147 43 A 4.7319 8.6021 123.1098 51.2232 22.0742 177.5865 44 A 4.2530 8.6066 123.6415 54.3284 19.1520 177.9250 45 T 4.7239 7.4605 102.6564 60.2709 72.0281 174.5105 46 C 4.7477 8.2572 122.4333 53.7067 42.9711 171.4334 47 P 4.5316 0.0000 0.0000 61.4025 31.9013 176.6105 48 K 4.0763 8.4001 120.4521 56.2294 32.5433 177.3051 49 A 4.2676 8.4926 126.4488 52.1408 19.3195 176.3472 50 E 4.7856 8.6149 119.4352 55.7898 33.1702 177.4479 51 Y 3.6447 8.3161 123.2596 59.4038 39.0511 171.5608 52 R 4.1440 8.6066 113.3131 55.7709 30.2860 175.6322 53 D 5.0988 8.1305 118.6783 54.4063 41.8854 176.0468 54 V 4.6063 9.0551 120.4634 61.2582 35.1542 174.0181 55 I 5.3708 8.6152 126.4470 59.3898 41.1465 173.8210 56 N 5.2668 9.6618 126.0749 51.7793 41.6280 172.8858 57 C 5.8313 8.9375 120.1053 55.6322 41.8794 171.8262 58 C 4.9098 9.1403 114.4747 54.5234 45.1212 174.4771 59 G 4.0461 8.7348 106.6351 45.2469 0.0000 172.7151 60 T 4.6286 7.4110 109.3858 58.7691 71.6214 172.7903 61 D 4.6517 8.5630 122.0198 55.5743 41.7983 175.7983 62 K 3.9038 9.4392 125.8907 57.3943 30.3533 174.9207 63 C 4.4344 8.1230 114.8677 57.6737 41.7731 173.7635 64 N 4.7878 7.9274 117.0654 52.2799 37.2134 175.0032 65 K 4.1162 7.7369 123.6400 57.6758 32.5379 176.5569 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 L 8.04 4.50 0.00 1.80 1.60 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.99 4.96 4.51 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 1.19 0.00 0.00 3 C 9.09 5.29 0.00 2.74 2.80 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 4 V 8.30 4.27 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 0.82 0.00 0.00 0.89 0.00 0.00 5 T 9.01 4.63 4.14 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 0.00 0.00 1.11 0.00 0.00 6 S 7.67 4.65 0.00 3.86 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 7 K 8.43 5.10 0.00 1.74 1.69 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.45 7.81 8 S 9.13 4.64 0.00 4.10 4.03 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 0.00 0.00 0.00 0.00 9 I 8.23 3.62 1.56 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 0.79 0.00 0.00 10 F 8.13 4.36 0.00 3.10 3.12 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 11 G 6.67 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 12 I 8.00 5.05 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 1.35 0.99 0.89 0.00 0.00 13 T 8.82 4.77 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 T 8.44 5.10 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 1.19 0.00 0.00 15 E 9.00 4.64 0.00 1.96 1.72 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 2.17 2.21 0.00 16 N 8.78 4.98 0.00 2.77 2.72 0.00 0.00 7.11 7.65 0.00 0.00 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 C 9.14 4.55 0.00 2.87 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 18 P 0.00 4.45 0.00 2.18 1.98 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 19 D 8.49 4.53 0.00 2.63 2.60 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 20 G 8.95 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 0.00 0.00 0.00 21 Q 7.81 4.53 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.31 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 22 N 8.53 5.13 0.00 2.58 2.79 0.00 0.00 6.95 7.85 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 23 L 8.17 5.08 0.00 1.78 1.57 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.24 5.44 0.00 2.81 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 25 F 8.70 5.65 0.00 2.97 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 26 K 9.33 4.61 0.00 1.65 1.23 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.14 1.26 7.81 27 R 8.65 5.12 0.00 1.96 1.79 0.00 3.30 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 28 W 9.84 5.18 0.00 3.09 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.44 5.03 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 30 Y 9.70 4.98 0.00 3.33 3.14 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 0.00 0.00 0.00 31 I 7.96 4.37 1.71 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 1.16 0.85 0.81 0.00 0.00 32 S 8.50 4.01 0.00 3.96 3.77 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 33 P 0.00 4.65 0.00 2.23 2.05 0.00 3.92 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 34 R 8.52 3.87 0.00 1.95 1.99 0.00 3.11 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 35 M 7.37 4.82 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 36 Y 8.58 5.53 0.00 3.04 3.07 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 0.00 37 D 9.18 4.80 0.00 2.83 2.63 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 38 F 8.95 5.53 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.12 4.47 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 40 R 7.71 4.01 0.00 1.46 1.68 0.00 3.03 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.81 0.00 41 G 5.89 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 42 C 8.73 5.25 0.00 3.11 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 43 A 8.60 4.73 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 44 A 8.61 4.25 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 45 T 7.46 4.72 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 1.20 0.00 0.00 46 C 8.26 4.75 0.00 2.94 3.03 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 0.00 0.00 0.00 0.00 47 P 0.00 4.53 0.00 2.05 1.95 0.00 3.65 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 1.95 2.06 0.00 48 K 8.40 4.08 0.00 1.74 1.77 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.51 7.81 49 A 8.49 4.27 1.33 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 0.00 0.00 50 E 8.61 4.79 0.00 2.13 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 2.36 2.31 0.00 51 Y 8.32 3.64 0.00 2.97 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 0.00 0.00 0.00 52 R 8.61 4.14 0.00 1.08 1.40 0.00 2.37 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 53 D 8.13 5.10 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.61 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 0.87 0.00 0.00 0.76 0.00 0.00 55 I 8.62 5.37 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 1.03 0.00 0.00 56 N 9.66 5.27 0.00 2.92 2.82 0.00 0.00 6.54 7.90 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 57 C 8.94 5.83 0.00 2.86 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 58 C 9.14 4.91 0.00 2.98 3.17 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 0.00 59 G 8.73 4.05 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 0.00 0.00 0.00 60 T 7.41 4.63 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 61 D 8.56 4.65 0.00 2.66 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 62 K 9.44 3.90 0.00 1.93 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 63 C 8.12 4.43 0.00 3.12 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 64 N 7.93 4.79 0.00 2.72 2.87 0.00 0.00 6.07 7.13 0.00 0.00 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 K 7.74 4.12 0.00 1.92 1.94 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.40 7.81