NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1105 8.2549 117.2574 54.8211 31.0500 175.0733 2 P 3.9744 0.0000 0.0000 62.6321 31.9305 175.8423 3 D 4.4138 8.4564 121.6343 57.0197 41.6720 178.6811 4 F 4.4128 7.8960 114.8212 59.6980 37.7600 177.8754 5 C 4.5137 7.2994 116.1844 59.3159 39.9543 175.0449 6 L 4.1269 7.6017 119.1098 55.0552 41.9349 177.0245 7 E 4.2400 7.6176 119.3355 55.0534 30.0896 175.1422 8 P 4.4488 0.0000 0.0000 61.6379 32.1511 174.4110 9 P 3.7526 0.0000 0.0000 62.6230 31.5634 175.4811 10 Y 4.5946 7.7454 121.8704 55.9273 39.6648 175.1361 11 T 4.1600 8.2213 125.6277 64.6976 68.8429 176.2263 12 G 3.7160 6.7335 106.9083 44.1079 0.0000 171.0606 13 P 4.3843 0.0000 0.0000 63.6090 31.8720 176.9643 14 C 4.5487 7.6906 116.6118 56.5917 41.1339 173.1658 15 K 4.1107 8.1705 117.5633 56.3530 32.4123 176.7262 16 A 4.2034 7.9008 122.5291 51.2223 19.8609 177.4574 17 R 4.7592 7.7922 115.4114 54.8333 29.4569 175.6984 18 I 4.1605 8.0317 121.6378 60.3570 39.2939 176.7704 19 I 4.2279 8.2170 128.1207 61.1735 37.8106 175.3914 20 R 4.6593 8.2315 124.5523 54.6403 35.0203 173.4675 21 Y 5.6005 9.3224 117.9646 56.5493 41.0784 175.2711 22 F 5.7051 9.4589 117.3275 55.2264 41.4622 173.3051 23 Y 4.2508 10.1242 125.2990 57.5952 39.5654 174.9309 24 N 4.4849 7.9860 125.9559 51.3568 38.6716 174.7023 25 A 3.9121 8.5077 128.4835 55.1823 18.7114 178.6925 26 K 3.9253 8.3525 113.0059 59.6374 32.0552 178.1075 27 A 4.1088 7.7506 119.0182 52.1810 18.8919 177.5747 28 G 3.8736 8.1212 103.7985 45.8652 0.0000 173.1673 29 L 4.3973 6.6377 116.7152 54.7175 43.3918 174.0111 30 C 4.8458 8.6854 117.3692 56.8201 41.5508 173.0551 31 Q 4.9250 8.2478 120.4695 54.2663 33.2044 174.4995 32 T 5.0335 8.6571 110.7927 61.5740 70.5705 173.5667 33 F 5.0395 8.9856 117.3232 55.8074 42.2436 172.8972 34 V 4.4270 8.4019 119.3110 61.7761 32.4619 174.1082 35 Y 4.8279 8.9515 130.0825 56.0641 40.3327 176.5974 36 G 3.3654 8.6673 113.3848 47.4093 0.0000 175.3348 37 G 3.7715 6.9216 107.7354 45.1150 0.0000 171.9475 38 C 4.9232 7.0287 112.5181 54.7291 44.5836 173.3278 39 R 3.8750 8.8266 115.7503 56.7249 27.1930 176.8486 40 A 4.2763 7.4655 115.9720 52.7597 18.2748 178.1561 41 K 4.4604 8.3072 118.7841 54.7099 34.1646 178.1720 42 R 3.6739 8.0856 118.4994 58.5983 30.3619 177.4499 43 N 5.0400 7.2756 115.5602 51.5538 36.6760 173.7199 44 N 5.0695 6.9851 116.8876 52.8620 41.7586 173.4199 45 F 4.9142 9.6203 126.2468 55.4455 41.8325 176.8914 46 K 4.2312 9.2560 124.7758 58.3434 32.8411 177.2434 47 S 4.8546 8.1108 112.3685 56.1833 65.6111 174.4568 48 A 3.5126 8.0341 130.0684 54.4012 18.1154 179.1804 49 E 3.7366 8.0040 117.7685 59.8777 29.6115 178.6661 50 D 4.2940 7.7727 118.3105 57.5072 40.8341 178.1934 51 C 2.4500 7.5629 118.5050 59.1765 41.8300 175.6444 52 M 3.8752 7.8030 120.2109 58.2921 31.4242 178.5408 53 R 3.7262 7.6079 117.4495 59.9665 30.2648 178.3728 54 T 4.0638 7.6870 114.1924 65.7788 68.5781 174.7906 55 C 4.4752 7.9609 115.3640 56.2617 42.6948 174.2377 56 G 3.5538 8.3557 113.8776 45.5181 0.0000 173.4327 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 R 8.25 4.11 0.00 1.70 1.78 0.00 2.97 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 2 P 0.00 3.97 0.00 1.04 1.79 0.00 3.41 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 1.91 2.08 0.00 3 D 8.46 4.41 0.00 2.71 2.73 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 4 F 7.90 4.41 0.00 3.26 3.30 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 5 C 7.30 4.51 0.00 2.90 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 6 L 7.60 4.13 0.00 1.81 1.76 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.62 4.24 0.00 2.30 1.92 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 2.40 2.42 0.00 8 P 0.00 4.45 0.00 2.10 2.02 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 9 P 0.00 3.75 0.00 0.77 0.49 0.00 3.38 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 10 Y 7.75 4.59 0.00 2.78 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 11 T 8.22 4.16 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 1.22 0.00 0.00 12 G 6.73 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 0.00 0.00 0.00 13 P 0.00 4.38 0.00 2.18 2.19 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 14 C 7.69 4.55 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.11 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.36 7.81 16 A 7.90 4.20 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.76 0.00 1.58 1.80 0.00 3.29 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 18 I 8.03 4.16 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.95 0.00 0.00 19 I 8.22 4.23 1.76 0.00 0.00 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 1.27 0.66 0.62 0.00 0.00 20 R 8.23 4.66 0.00 0.75 1.73 0.00 3.39 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 21 Y 9.32 5.60 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.46 5.71 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 10.12 4.25 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.48 0.00 2.24 2.44 0.00 0.00 6.71 8.55 0.00 0.00 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 A 8.51 3.91 1.41 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 0.00 0.00 26 K 8.35 3.93 0.00 1.97 1.90 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 27 A 7.75 4.11 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.12 3.87 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 0.00 0.00 0.00 29 L 6.64 4.40 0.00 1.62 1.65 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.69 4.85 0.00 2.83 3.11 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 31 Q 8.25 4.92 0.00 1.67 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 32 T 8.66 5.03 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 1.20 0.00 0.00 33 F 8.99 5.04 0.00 2.93 3.05 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 34 V 8.40 4.43 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 0.90 0.00 0.00 35 Y 8.95 4.83 0.00 2.54 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.67 3.37 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 0.00 0.00 0.00 37 G 6.92 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 0.00 0.00 0.00 38 C 7.03 4.92 0.00 3.08 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 39 R 8.83 3.87 0.00 2.18 2.24 0.00 3.32 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 7.47 4.28 1.01 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 0.00 0.00 0.00 0.00 0.00 41 K 8.31 4.46 0.00 1.83 1.66 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.16 0.98 7.81 42 R 8.09 3.67 0.00 1.16 0.66 0.00 2.45 0.00 0.00 2.85 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.26 0.00 43 N 7.28 5.04 0.00 3.21 2.91 0.00 0.00 6.89 7.67 0.00 0.00 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 N 6.99 5.07 0.00 2.78 2.64 0.00 0.00 7.09 7.02 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 45 F 9.62 4.91 0.00 3.19 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 46 K 9.26 4.23 0.00 1.79 1.95 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.11 4.85 0.00 3.95 3.92 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 48 A 8.03 3.51 0.36 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 0.00 0.00 0.00 49 E 8.00 3.74 0.00 1.97 1.91 0.00 0.00 0.00 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 2.36 0.00 50 D 7.77 4.29 0.00 2.99 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 51 C 7.56 2.45 0.00 2.82 2.99 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 52 M 7.80 3.88 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 53 R 7.61 3.73 0.00 1.73 1.94 0.00 3.23 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 54 T 7.69 4.06 4.12 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 1.48 0.00 0.00 55 C 7.96 4.48 0.00 2.88 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.36 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00