NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0518 8.0544 120.3103 60.7409 33.5703 174.7462 3 I 4.1923 7.6700 120.7912 58.3746 39.9777 172.6720 4 A 4.8568 8.9142 130.4829 50.3034 22.9055 176.5931 5 T 4.0223 8.3572 116.4828 66.1084 68.6785 175.9551 6 D 4.8318 7.8972 118.8176 54.8422 41.1755 176.3407 7 D 4.8240 7.9007 117.8187 54.2013 42.1492 176.7311 8 L 5.1491 7.7403 117.2168 53.4777 44.9920 175.9767 9 E 5.3370 8.9244 119.0029 54.2733 33.2866 175.3418 10 V 4.5838 9.2248 123.9504 59.3142 34.7907 174.9349 11 A 4.3121 8.6399 125.4643 51.9857 18.5595 177.0237 12 C 4.3025 8.7574 122.2322 58.3147 32.5515 172.3153 13 P 4.1094 0.0000 0.0000 65.4593 30.9140 177.2634 14 K 4.6342 7.7530 113.8336 56.4699 36.8539 175.8246 15 C 4.8927 7.9172 113.9556 57.7999 29.9057 173.7341 16 E 5.3024 8.4005 115.0917 56.8256 29.5480 177.6665 17 R 4.6898 7.8086 113.6039 56.2449 33.2621 175.4088 18 A 4.4367 7.8236 117.4321 51.0665 21.6037 176.4097 19 G 3.9020 9.1119 103.1900 45.8435 0.0000 172.4410 20 E 4.6596 7.8444 114.9407 54.3989 32.9929 174.8056 21 I 4.2125 8.8262 120.8769 60.0817 38.7803 175.5747 22 E 3.8955 9.3510 128.9897 57.2737 27.2049 175.0142 23 G 3.9695 9.1148 104.2221 46.2352 0.0000 173.3205 24 T 4.6441 7.3746 115.9128 60.1775 71.5304 171.7896 25 P 4.4576 0.0000 0.0000 63.3948 31.4053 175.5221 26 C 4.3369 8.7518 123.0091 58.3004 32.3755 171.9939 27 P 3.9896 0.0000 0.0000 65.3803 31.0249 176.8113 28 A 4.6855 7.9249 116.7515 51.5232 20.4352 175.7958 29 C 4.6721 7.4599 110.3353 55.7431 30.2565 175.4917 30 S 4.3853 8.2007 128.5828 58.4410 61.4823 174.9338 31 G 3.9803 8.1258 101.3210 47.4874 0.0000 173.7747 32 K 4.3393 8.0370 118.3704 56.5813 35.1375 176.7232 33 G 4.7043 8.3820 107.3232 44.4065 0.0000 173.5708 34 V 4.9760 7.4075 110.5275 59.2402 34.7568 175.0677 35 I 4.6961 8.9588 115.1600 59.1524 41.0915 174.8117 36 L 5.0138 8.4451 122.8200 54.5088 43.5946 175.9668 37 T 4.6529 8.3155 110.9845 60.1944 71.7009 175.3515 38 A 4.0261 8.6855 122.0145 55.4634 18.3468 179.3816 39 Q 4.0399 8.1910 117.6862 59.4604 29.1834 178.7354 40 G 3.6636 8.0609 106.1309 47.9454 0.0000 175.1494 41 Y 3.9241 8.8248 119.5665 61.1174 37.9500 178.4236 42 T 4.0626 8.1918 116.8486 66.2173 68.6303 176.4728 43 L 4.2702 7.8129 120.3603 56.4944 41.8732 179.1265 44 L 4.0298 7.9740 120.3994 58.8078 40.7033 178.7440 45 D 4.6440 8.1598 118.5693 56.3871 41.1844 177.9817 46 F 4.0611 7.9519 121.1760 61.0747 39.2623 177.1906 47 I 4.0522 7.9082 112.5877 63.9698 37.1105 177.5903 48 Q 4.0108 8.6065 120.0628 59.1873 28.4389 178.4647 49 K 4.8574 7.7656 119.7017 57.2039 32.5460 177.3387 50 H 4.8361 7.4108 112.2355 56.1461 30.0038 173.9375 51 L 4.5893 7.6433 118.4677 55.9396 43.9718 177.2522 52 N 4.7705 8.0555 112.3311 53.0508 40.5282 174.9979 53 K 4.1632 9.1582 123.3053 56.3435 32.4154 175.8505 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 V 8.05 4.05 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 0.87 0.00 0.00 0.92 0.00 0.00 3 I 7.67 4.19 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.90 0.00 0.00 4 A 8.91 4.86 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 5 T 8.36 4.02 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 6 D 7.90 4.83 0.00 2.65 2.71 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 7 D 7.90 4.82 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 5.15 0.00 1.60 1.65 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.92 5.34 0.00 1.96 1.79 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 2.19 2.20 0.00 10 V 9.22 4.58 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 0.86 0.00 0.00 0.94 0.00 0.00 11 A 8.64 4.31 1.25 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 0.00 0.00 0.00 12 C 8.76 4.30 0.00 3.25 2.84 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 13 P 0.00 4.11 0.00 2.08 2.14 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 14 K 7.75 4.63 0.00 1.56 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.37 7.81 15 C 7.92 4.89 0.00 3.21 3.38 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 16 E 8.40 5.30 0.00 1.96 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 0.00 2.25 2.38 0.00 17 R 7.81 4.69 0.00 1.86 1.97 0.00 2.98 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 18 A 7.82 4.44 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 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 20 E 7.84 4.66 0.00 2.00 1.88 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 2.17 2.38 0.00 21 I 8.83 4.21 1.88 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 1.19 1.40 0.91 0.00 0.00 22 E 9.35 3.90 0.00 2.07 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 2.19 2.35 0.00 23 G 9.11 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 24 T 7.37 4.64 4.60 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 1.21 0.00 0.00 25 P 0.00 4.46 0.00 2.17 2.09 0.00 3.76 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 1.99 1.97 0.00 26 C 8.75 4.34 0.00 2.99 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 27 P 0.00 3.99 0.00 2.10 2.12 0.00 3.68 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 2.05 2.15 0.00 28 A 7.92 4.69 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.46 4.67 0.00 3.03 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 30 S 8.20 4.39 0.00 4.00 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 31 G 8.13 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 0.00 0.00 0.00 32 K 8.04 4.34 0.00 1.68 1.81 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.44 7.81 33 G 8.38 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 4.98 2.17 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 0.88 0.00 0.00 0.96 0.00 0.00 35 I 8.96 4.70 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 0.97 0.00 0.00 36 L 8.45 5.01 0.00 1.14 1.55 0.62 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.32 4.65 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 1.29 0.00 0.00 38 A 8.69 4.03 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 39 Q 8.19 4.04 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 40 G 8.06 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.82 3.92 0.00 3.31 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 42 T 8.19 4.06 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 43 L 7.81 4.27 0.00 1.87 1.70 0.91 0.41 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 44 L 7.97 4.03 0.00 1.81 1.98 0.85 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.16 4.64 0.00 2.92 2.79 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 46 F 7.95 4.06 0.00 3.44 3.21 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 0.00 47 I 7.91 4.05 1.94 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 1.77 0.65 1.19 0.00 0.00 48 Q 8.61 4.01 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 49 K 7.77 4.86 0.00 1.71 1.60 0.00 1.41 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.23 7.81 50 H 7.41 4.84 0.00 3.00 3.15 0.00 5.84 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.64 4.59 0.00 1.67 1.64 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.06 4.77 0.00 2.65 2.83 0.00 0.00 6.75 7.60 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 53 K 9.16 4.16 0.00 1.84 1.62 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.52 7.81