NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4613 8.1633 120.3257 54.7898 33.7086 177.1025 2 K 3.6041 8.2881 121.4386 58.3832 32.2223 172.0315 3 V 4.4522 7.3324 117.6058 60.5671 35.3483 173.6164 4 R 4.3763 8.0089 120.9006 55.7716 31.4855 175.0463 5 A 4.0598 8.5960 120.9137 53.5688 19.0858 177.5299 6 S 4.5140 7.7238 110.4111 56.5411 61.7203 172.0648 7 V 4.1036 7.8476 124.8557 61.3649 32.4891 175.3780 8 K 4.6857 8.0605 124.4599 54.6886 36.1448 176.0659 9 R 4.0822 8.3492 120.3331 56.6447 30.5965 176.9216 10 I 4.0904 8.2812 123.9793 63.4438 38.8444 176.4752 11 C 4.8191 7.3628 111.4085 58.4948 29.0661 175.4296 12 D 4.8465 8.8489 116.4225 52.6547 39.9635 175.9426 13 K 4.3285 8.0297 118.0313 56.6889 32.5051 175.6115 14 C 4.6759 7.8433 117.9548 58.9118 28.9868 173.2505 15 K 4.4763 9.1125 124.0100 54.9440 34.4039 176.0166 16 V 4.9481 7.9323 122.9209 60.5962 30.4838 174.7898 17 I 3.9442 7.8079 124.9581 60.7353 38.8802 174.8748 18 R 5.5440 8.6618 125.1913 53.0981 29.5403 173.0162 19 R 4.4480 7.8338 117.2084 55.1380 31.6309 176.7565 20 H 3.8635 9.3056 118.9391 57.0787 25.6850 176.9089 21 G 4.1071 8.5275 107.6915 45.5605 0.0000 174.4144 22 R 4.5782 7.3985 117.1469 54.5811 32.4191 175.6725 23 V 4.4377 8.1439 120.5341 62.3657 32.3915 174.7700 24 Y 4.5926 8.8890 127.1147 56.5402 40.4656 175.6116 25 V 5.4513 7.7465 116.2119 60.9536 31.4469 174.0525 26 I 4.0410 7.8177 124.2264 62.0306 38.7802 175.8814 27 C 4.7827 8.2064 124.1500 58.4182 34.0369 172.3921 28 E 4.1552 8.2355 121.1621 58.1662 29.7773 175.9186 29 N 4.6336 7.7136 117.8630 51.3386 38.3649 173.0621 30 P 4.3647 0.0000 0.0000 66.7466 31.4764 179.1478 31 K 4.4966 7.7372 117.9316 59.1189 32.1177 177.0391 32 H 4.6440 8.1123 112.4564 56.0957 28.7016 175.3673 33 K 4.4281 9.1156 122.7256 56.7865 32.7310 176.0419 34 Q 4.5486 7.6952 124.8448 55.7735 33.2460 173.9237 35 R 3.7913 7.7665 114.0710 56.1004 33.0431 174.1557 36 Q 4.7395 8.7486 130.2418 55.0684 27.9425 176.2630 37 G 3.6975 8.0738 112.9137 45.2051 0.0000 170.4074 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 M 8.16 4.46 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 2 K 8.29 3.60 0.00 1.79 1.87 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.41 7.81 3 V 7.33 4.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.87 0.00 0.00 4 R 8.01 4.38 0.00 1.95 1.94 0.00 2.98 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 5 A 8.60 4.06 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 6 S 7.72 4.51 0.00 3.81 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 7 V 7.85 4.10 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 0.91 0.00 0.00 0.90 0.00 0.00 8 K 8.06 4.69 0.00 1.71 1.62 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.45 7.81 9 R 8.35 4.08 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 10 I 8.28 4.09 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.42 0.60 0.00 0.00 11 C 7.36 4.82 0.00 3.06 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 0.00 0.00 0.00 0.00 12 D 8.85 4.85 0.00 2.76 2.76 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 0.00 0.00 0.00 13 K 8.03 4.33 0.00 1.79 1.89 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 14 C 7.84 4.68 0.00 2.86 2.88 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 15 K 9.11 4.48 0.00 1.82 1.72 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.37 7.81 16 V 7.93 4.95 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 1.02 0.00 0.00 0.95 0.00 0.00 17 I 7.81 3.94 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 0.81 0.00 0.00 18 R 8.66 5.54 0.00 1.79 1.80 0.00 3.05 0.00 0.00 2.25 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 19 R 7.83 4.45 0.00 1.86 1.76 0.00 2.46 0.00 0.00 2.82 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.84 0.00 20 H 9.31 3.86 0.00 3.38 3.48 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.53 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.40 4.58 0.00 2.37 2.05 0.00 3.35 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 23 V 8.14 4.44 2.22 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 1.11 0.00 0.00 1.00 0.00 0.00 24 Y 8.89 4.59 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 5.45 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 1.10 0.00 0.00 0.97 0.00 0.00 26 I 7.82 4.04 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.93 0.00 0.00 27 C 8.21 4.78 0.00 2.91 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 28 E 8.24 4.16 0.00 1.98 1.87 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 2.28 2.30 0.00 29 N 7.71 4.63 0.00 2.80 2.76 0.00 0.00 6.00 7.75 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 30 P 0.00 4.36 0.00 2.23 2.36 0.00 3.71 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 2.06 2.00 0.00 31 K 7.74 4.50 0.00 1.89 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.50 7.81 32 H 8.11 4.64 0.00 3.30 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.12 4.43 0.00 1.97 1.71 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.46 7.81 34 Q 7.70 4.55 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 35 R 7.77 3.79 0.00 1.13 1.62 0.00 2.93 0.00 0.00 2.97 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 36 Q 8.75 4.74 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.14 0.00 37 G 8.07 3.70 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