NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3785 8.3044 120.3501 54.4438 32.8102 175.2832 2 K 3.6160 8.7743 118.2911 56.5177 32.4478 174.8734 3 R 4.4435 8.4811 124.4673 55.6737 32.8453 176.6273 4 T 4.3156 7.8846 115.5662 58.7848 65.5672 174.5337 5 F 5.2946 7.1466 121.9085 58.1448 40.9187 171.5191 6 Q 4.4056 8.4598 123.8753 52.3016 28.3348 173.8020 7 P 4.2762 0.0000 0.0000 63.3647 31.7846 177.4258 8 S 4.6378 8.5812 107.3602 56.6676 63.8938 177.6080 9 V 3.4947 8.2391 128.0030 64.7037 31.6970 177.1603 10 L 4.0026 8.0944 121.2988 57.9077 41.7124 178.6180 11 K 3.7911 8.2137 117.1039 59.8462 31.8771 178.8795 12 R 3.9068 8.1183 118.6383 60.5514 30.3284 176.9785 13 N 4.5616 8.5239 117.0213 54.0333 38.1829 176.6892 14 R 4.1557 8.1147 124.8711 59.6934 29.8005 178.4301 15 S 4.4113 8.1639 115.3092 60.5297 63.4306 174.4233 16 H 4.9185 8.7030 118.8552 55.0006 30.0886 173.6071 17 G 4.0446 8.0305 107.2725 43.7226 0.0000 173.7700 18 F 3.7121 8.3814 119.1176 61.4396 40.0347 176.7999 19 R 4.0690 8.5676 117.8148 59.5852 30.4855 178.3682 20 A 3.9301 8.0653 119.7862 55.7302 18.6994 180.2765 21 R 4.3201 8.6550 113.8146 56.6154 29.5030 177.8659 22 M 4.6340 8.4118 111.7009 54.6150 35.2373 175.4188 23 A 4.5839 7.6812 121.1151 51.8819 19.9811 176.5177 24 T 4.6608 7.1726 105.6794 58.5262 71.5846 173.3136 25 K 3.9834 7.8224 121.8325 58.9771 31.8228 178.1732 26 N 4.3401 8.1981 115.4239 56.4726 38.8459 177.2483 27 G 3.6955 8.1174 106.8488 48.1257 0.0000 175.6794 28 R 4.0185 8.0698 122.9411 58.3981 29.9664 178.3266 29 Q 3.9313 8.5315 119.8741 58.9486 28.8712 178.0242 30 V 3.5320 8.3184 120.0551 65.8521 31.5091 177.5253 31 L 3.8801 7.6166 118.2012 58.0832 41.5358 179.2240 32 A 3.9780 7.6312 120.1740 55.6916 18.2611 179.5422 33 R 3.8041 8.1967 116.1552 59.8632 29.8278 178.9854 34 R 3.8765 8.2993 118.4310 59.3709 30.1795 178.3802 35 R 3.7818 8.7968 117.7906 59.5226 29.9445 178.6702 36 A 3.9515 8.5262 119.7677 55.2152 18.5914 179.4541 37 K 3.9680 8.0497 116.6094 56.9378 33.5859 175.6133 38 G 3.6233 7.6498 107.2949 45.9902 0.0000 172.4282 39 R 4.4403 7.7059 119.5083 54.4132 31.4727 175.2869 40 A 3.9185 7.9686 127.3903 54.5459 18.9572 177.0627 41 R 4.3755 7.5806 113.6033 54.5966 31.3975 176.8538 42 L 4.1308 8.3945 124.4502 56.9136 42.1690 177.5237 43 T 4.2933 7.6632 111.9377 61.2075 71.0022 174.3768 44 V 3.2225 9.0092 127.6558 67.6809 29.5128 174.5955 45 S 3.8337 6.4324 117.7364 61.0251 65.3801 174.9721 46 K 4.0452 8.0981 124.9300 55.1152 32.1684 175.0096 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 8.30 4.38 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.77 3.62 0.00 1.84 1.74 0.00 1.99 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.54 7.81 3 R 8.48 4.44 0.00 1.87 1.91 0.00 3.45 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 4 T 7.88 4.32 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 1.23 0.00 0.00 5 F 7.15 5.29 0.00 2.92 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 6 Q 8.46 4.41 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 7 P 0.00 4.28 0.00 2.05 1.73 0.00 3.65 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 8 S 8.58 4.64 0.00 3.87 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 9 V 8.24 3.49 2.09 0.00 0.00 0.00 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 0.95 0.00 0.00 10 L 8.09 4.00 0.00 1.74 1.73 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.21 3.79 0.00 2.03 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.55 7.81 12 R 8.12 3.91 0.00 1.89 2.24 0.00 3.34 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 13 N 8.52 4.56 0.00 3.06 2.71 0.00 0.00 6.64 7.78 0.00 0.00 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 R 8.11 4.16 0.00 1.96 2.12 0.00 3.04 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 15 S 8.16 4.41 0.00 3.96 3.85 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 16 H 8.70 4.92 0.00 3.00 3.25 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.03 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.38 3.71 0.00 3.03 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 19 R 8.57 4.07 0.00 1.97 2.07 0.00 3.26 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 20 A 8.07 3.93 1.35 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 0.00 0.00 21 R 8.66 4.32 0.00 1.82 1.74 0.00 3.02 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 22 M 8.41 4.63 0.00 1.77 1.70 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 23 A 7.68 4.58 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 24 T 7.17 4.66 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 25 K 7.82 3.98 0.00 1.87 1.68 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.58 7.81 26 N 8.20 4.34 0.00 2.82 2.85 0.00 0.00 6.73 7.95 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 27 G 8.12 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 28 R 8.07 4.02 0.00 1.87 2.16 0.00 3.12 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 29 Q 8.53 3.93 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 V 8.32 3.53 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.95 0.00 0.00 31 L 7.62 3.88 0.00 1.77 1.70 0.33 0.82 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 32 A 7.63 3.98 1.35 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 0.00 0.00 33 R 8.20 3.80 0.00 2.09 2.02 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 34 R 8.30 3.88 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 R 8.80 3.78 0.00 2.00 2.02 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 36 A 8.53 3.95 1.38 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 0.00 0.00 37 K 8.05 3.97 0.00 1.85 2.01 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 38 G 7.65 3.62 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 0.00 0.00 0.00 39 R 7.71 4.44 0.00 1.77 1.83 0.00 3.33 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 1.57 1.61 0.00 40 A 7.97 3.92 1.26 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 0.00 0.00 0.00 41 R 7.58 4.38 0.00 1.83 1.90 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 42 L 8.39 4.13 0.00 1.75 1.84 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.66 4.29 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 44 V 9.01 3.22 2.13 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 0.85 0.00 0.00 1.01 0.00 0.00 45 S 6.43 3.83 0.00 4.05 3.95 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 0.00 0.00 0.00 46 K 8.10 4.05 0.00 1.85 1.94 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.24 7.81