NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0809 8.0129 117.9076 60.7762 33.5023 175.9667 6 R 3.8714 8.4202 113.8263 60.7412 29.5795 173.9142 7 I 3.6761 7.9398 116.7441 62.5127 36.5376 179.0385 8 K 3.9631 7.0119 120.2105 52.4396 30.5818 181.2674 9 L 4.0995 7.1755 117.7148 55.4797 44.2441 173.8285 10 L 4.7300 7.8431 123.9269 53.8071 43.7368 175.2419 11 L 4.4731 7.5754 120.5662 55.0044 46.6165 172.7526 12 E 5.0825 7.7631 118.5142 54.7296 33.4023 173.7510 13 C 5.4317 8.7533 115.0622 58.6744 32.3519 173.0499 14 T 4.6340 8.9370 117.9780 58.7877 69.1187 174.6636 15 E 3.6738 7.7368 127.2092 57.3782 29.7996 174.7305 16 C 3.3761 7.7753 116.8881 58.8437 24.7818 171.7855 17 K 4.2679 8.6412 122.8146 55.4635 31.5602 175.8577 18 R 5.0035 7.1370 114.7983 54.7892 32.4472 176.3148 19 R 4.3266 8.4239 115.1525 55.4070 28.8940 178.7255 20 N 4.0478 9.2156 111.1829 54.6498 39.3256 171.6944 21 Y 5.5280 8.4181 120.7031 57.8920 42.2808 174.1603 22 A 4.6630 8.8618 121.2124 52.4608 20.7367 175.1858 23 T 3.5644 7.8979 108.9578 61.9672 67.0159 172.4300 24 E 4.6422 8.8796 135.0000 56.2552 29.8692 177.7032 25 K 4.4904 8.2753 128.0138 56.6952 34.3067 176.5290 26 N 4.7008 7.7920 123.5108 53.9580 39.3567 176.3378 27 K 4.4701 9.3764 118.0421 57.4454 34.6204 177.1453 28 R 2.9723 8.9253 117.9517 60.0166 29.5247 179.3924 29 N 3.4148 7.6064 111.7777 55.6454 40.8813 177.7275 30 T 3.9958 7.6583 115.9437 61.3556 69.4301 171.1627 31 P 4.3309 0.0000 0.0000 63.0686 31.0421 175.0727 32 N 4.7768 7.7568 127.5132 50.3689 41.2708 177.8387 33 K 3.6074 9.8418 118.2088 58.3590 28.8186 173.9808 34 L 4.0879 7.7269 118.0275 53.6475 41.0340 174.1789 35 E 5.3875 8.4738 120.5986 56.1610 32.1616 176.3136 36 L 4.9887 8.2298 122.0371 54.5489 43.9376 175.0528 37 R 4.7112 8.3877 117.9305 55.0830 35.0031 173.7906 38 K 5.0982 8.4130 120.9226 55.1568 33.2113 174.9688 39 Y 4.7026 8.5946 126.4654 56.5949 42.8890 172.5931 40 C 4.2897 7.6019 125.4578 58.1093 32.3888 171.1803 41 P 5.2531 0.0000 0.0000 60.4598 32.0945 177.0387 42 W 4.4225 8.9886 119.9234 59.1182 27.9459 175.9717 43 C 4.2967 7.0077 116.1059 58.4890 29.7872 175.1991 44 R 3.6098 8.4118 122.4942 56.7966 27.8936 175.4318 45 K 4.3774 8.5131 120.3969 57.3236 36.2485 176.7654 46 H 3.8857 8.7231 113.3679 57.1178 26.6877 174.3014 47 T 4.6323 7.8365 116.8195 60.8483 73.2267 174.3975 48 V 3.7491 8.7347 125.0420 63.3911 30.3682 177.0418 49 H 4.6394 9.5118 121.3672 55.5241 28.7441 174.6444 50 R 4.9897 8.3499 123.5173 54.1986 33.8274 179.2945 51 E 4.9597 8.5155 123.3511 55.0977 26.9165 177.1562 52 V 3.3226 9.1537 135.0000 63.9004 32.0542 171.0624 *53 K 4.1330 8.5259 127.0286 54.8738 32.2491 171.8850 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 5 V 8.01 4.08 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 0.71 0.00 0.00 0.93 0.00 0.00 6 R 8.42 3.87 0.00 1.81 1.95 0.00 3.22 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 7 I 7.94 3.68 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 1.27 1.10 0.91 0.00 0.00 8 K 7.01 3.96 0.00 1.87 1.54 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.39 1.24 7.81 9 L 7.18 4.10 0.00 1.86 1.79 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.84 4.73 0.00 1.55 1.56 0.91 0.91 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 11 L 7.58 4.47 0.00 1.58 1.44 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.76 5.08 0.00 2.25 2.10 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 2.38 2.41 0.00 13 C 8.75 5.43 0.00 2.77 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 14 T 8.94 4.63 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 1.26 0.00 0.00 15 E 7.74 3.67 0.00 1.95 1.82 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 2.24 2.23 0.00 16 C 7.78 3.38 0.00 3.15 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 17 K 8.64 4.27 0.00 1.74 2.25 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.27 7.81 18 R 7.14 5.00 0.00 1.91 1.84 0.00 3.21 0.00 0.00 3.33 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 19 R 8.42 4.33 0.00 2.30 1.76 0.00 3.17 0.00 0.00 4.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.24 0.00 20 N 9.22 4.05 0.00 3.52 3.17 0.00 0.00 6.69 7.56 0.00 0.00 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 Y 8.42 5.53 0.00 2.95 2.85 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 0.00 0.00 0.00 22 A 8.86 4.66 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 3.56 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 1.31 0.00 0.00 24 E 8.88 4.64 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 25 K 8.28 4.49 0.00 1.93 1.76 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.42 7.81 26 N 7.79 4.70 0.00 2.69 2.78 0.00 0.00 7.05 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.38 4.47 0.00 1.68 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.54 7.81 28 R 8.93 2.97 0.00 2.16 1.99 0.00 3.28 0.00 0.00 3.33 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 29 N 7.61 3.41 0.00 2.78 3.07 0.00 0.00 6.76 7.54 0.00 0.00 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 7.66 4.00 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 31 P 0.00 4.33 0.00 2.07 2.09 0.00 3.65 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 2.03 2.16 0.00 32 N 7.76 4.78 0.00 2.90 2.03 0.00 0.00 7.36 7.61 0.00 0.00 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 9.84 3.61 0.00 1.84 1.80 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.38 7.81 34 L 7.73 4.09 0.00 1.82 1.77 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.47 5.39 0.00 2.03 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 0.00 2.05 2.32 0.00 36 L 8.23 4.99 0.00 1.79 1.62 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.39 4.71 0.00 1.67 1.87 0.00 3.15 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 K 8.41 5.10 0.00 1.81 1.75 0.00 1.70 0.00 0.00 2.61 0.00 0.00 2.70 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.53 7.81 39 Y 8.59 4.70 0.00 2.96 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 0.00 0.00 0.00 0.00 40 C 7.60 4.29 0.00 2.54 2.38 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 41 P 0.00 5.25 0.00 2.38 1.98 0.00 3.96 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 42 W 8.99 4.42 0.00 3.46 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 43 C 7.01 4.30 0.00 2.44 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 44 R 8.41 3.61 0.00 1.83 1.78 0.00 3.32 0.00 0.00 3.17 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 45 K 8.51 4.38 0.00 1.68 1.68 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 46 H 8.72 3.89 0.00 3.16 3.59 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.84 4.63 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 1.21 0.00 0.00 48 V 8.73 3.75 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 49 H 9.51 4.64 0.00 3.61 3.55 0.00 5.84 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.35 4.99 0.00 1.82 1.84 0.00 3.29 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 51 E 8.52 4.96 0.00 1.97 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 2.31 2.46 0.00 52 V 9.15 3.32 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 0.95 0.00 0.00 0.98 0.00 0.00 *53 K 8.53 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.