NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5206 8.3001 120.3310 54.7648 34.3212 177.9854 2 A 4.2785 8.1810 121.6878 51.5432 17.7022 175.3158 3 A 4.9250 8.0614 122.5017 51.7852 22.2966 173.4784 4 Q 3.9694 8.5824 114.0455 56.7885 28.4924 177.5642 5 K 3.7113 8.6018 124.7000 58.4805 32.8703 177.7056 6 S 3.4018 7.3487 113.8471 58.2143 63.3091 174.7368 7 F 4.2400 6.5123 127.7196 60.6987 38.3247 177.9464 8 R 3.9205 7.7394 117.0839 59.3513 29.9856 178.9862 9 I 3.6864 7.5409 118.9672 64.3793 37.1960 178.5043 10 K 3.9807 8.2088 119.3823 59.6000 31.8819 179.5011 11 Q 4.0296 8.1396 118.3372 58.8863 28.6427 178.9254 12 K 4.0137 7.7010 118.8930 59.7020 31.8372 179.3566 13 M 4.0529 7.8903 117.9380 58.2340 32.2044 178.3665 14 A 4.1508 8.0018 120.9184 55.0512 18.4364 179.8467 15 K 4.0151 8.2211 116.8062 59.6273 32.0791 179.4931 16 A 4.0107 7.9997 120.9748 54.9348 18.0078 179.8405 17 K 3.8901 7.4731 114.9385 59.6245 32.2261 179.4005 18 K 4.1532 7.9281 117.0095 59.5193 32.1188 178.9676 19 Q 4.2473 7.6347 117.4603 58.3091 29.9453 178.1009 20 N 4.7747 7.9776 118.4187 51.4730 36.0878 174.1727 21 R 4.7530 7.0799 120.8511 53.3531 34.9571 173.4451 22 P 4.4871 0.0000 0.0000 62.1070 31.9395 176.4775 23 L 4.3532 7.5172 121.2080 54.0253 42.7977 174.5837 24 P 4.9588 0.0000 0.0000 60.9126 33.2812 176.1796 25 Q 3.9188 8.3674 119.4250 59.1240 29.0459 179.2933 26 W 4.5165 7.9598 117.2861 59.9458 29.1242 178.4909 27 I 3.8372 7.6500 118.8243 64.2878 36.2513 178.6537 28 R 3.9554 7.5138 117.1452 59.1418 29.9182 178.6025 29 L 4.4868 7.7982 117.3513 55.4629 42.6651 176.6246 30 R 4.5174 8.1199 118.6185 54.4046 29.9724 174.1342 31 T 4.9663 8.0480 118.4361 61.1039 71.7180 176.6527 32 N 3.9967 8.1875 117.9212 53.9866 36.7102 173.2025 33 N 4.9001 8.5606 120.0429 52.2638 42.6721 173.5342 34 T 4.3972 8.4780 129.2491 63.3259 70.1981 171.1643 35 I 3.6420 7.6812 131.0717 61.1795 35.8986 176.3844 36 R 3.9952 7.4736 120.8372 56.7698 28.5599 175.9436 37 Y 4.4023 7.7940 125.8333 60.3663 36.7364 179.0560 38 N 3.1400 7.3064 113.0930 50.1397 41.3248 174.3067 39 A 4.1881 8.6370 131.0635 53.4472 16.5558 180.3945 40 K 4.2405 7.8962 112.2697 56.8395 31.3876 176.7277 41 R 4.2726 7.9397 118.8629 55.5628 30.6626 176.2442 42 R 4.6637 8.3369 121.3610 54.3157 33.0336 174.8458 43 N 4.8718 7.4454 116.1417 50.9330 41.9241 175.1167 44 W 2.0000 8.1904 120.1293 59.3309 29.4432 178.1856 45 R 4.1556 8.0454 116.1166 58.0042 30.0175 176.6553 46 R 4.5385 7.4575 114.5913 54.2214 33.5235 176.0135 47 T 3.1934 8.2938 106.4900 63.1924 69.6866 171.3002 48 K 4.5142 7.9772 118.1976 55.7901 36.2316 175.5332 49 M 4.2857 8.3098 122.5453 55.0115 32.8529 175.8231 50 N 4.7189 8.2895 118.4632 52.5834 40.0936 175.6103 51 I 3.9850 8.1136 120.3293 61.6900 37.3510 175.9831 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 4.52 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 2 A 8.18 4.28 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.06 4.93 1.24 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 0.00 0.00 0.00 4 Q 8.58 3.97 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.63 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 5 K 8.60 3.71 0.00 1.76 1.90 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.47 1.42 7.81 6 S 7.35 3.40 0.00 3.44 3.41 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 7 F 6.51 4.24 0.00 3.08 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 8 R 7.74 3.92 0.00 1.73 1.95 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 9 I 7.54 3.69 1.80 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 1.57 0.42 0.90 0.00 0.00 10 K 8.21 3.98 0.00 2.04 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.80 7.81 11 Q 8.14 4.03 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 12 K 7.70 4.01 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 13 M 7.89 4.05 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 14 A 8.00 4.15 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 15 K 8.22 4.02 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 16 A 8.00 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 3.89 0.00 1.81 1.90 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 18 K 7.93 4.15 0.00 1.88 1.89 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 19 Q 7.63 4.25 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.40 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 20 N 7.98 4.77 0.00 2.77 2.83 0.00 0.00 6.84 7.96 0.00 0.00 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 7.08 4.75 0.00 1.88 1.79 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 22 P 0.00 4.49 0.00 2.07 1.99 0.00 3.96 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 23 L 7.52 4.35 0.00 1.66 1.64 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.96 0.00 2.38 2.24 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 25 Q 8.37 3.92 0.00 1.35 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 26 W 7.96 4.52 0.00 3.36 3.13 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 0.00 0.00 0.00 0.00 27 I 7.65 3.84 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.93 0.00 0.00 28 R 7.51 3.96 0.00 1.98 1.97 0.00 3.18 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 29 L 7.80 4.49 0.00 1.99 1.85 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.12 4.52 0.00 1.74 1.84 0.00 3.27 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 31 T 8.05 4.97 4.25 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 1.28 0.00 0.00 32 N 8.19 4.00 0.00 2.87 2.68 0.00 0.00 6.70 8.00 0.00 0.00 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 N 8.56 4.90 0.00 2.64 2.64 0.00 0.00 6.71 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 34 T 8.48 4.40 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 35 I 7.68 3.64 1.69 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.40 0.47 0.00 0.00 36 R 7.47 4.00 0.00 1.68 1.79 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 37 Y 7.79 4.40 0.00 2.99 2.87 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 38 N 7.31 3.14 0.00 2.83 3.01 0.00 0.00 7.35 7.35 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 39 A 8.64 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.24 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.47 7.81 41 R 7.94 4.27 0.00 1.79 1.86 0.00 3.18 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 42 R 8.34 4.66 0.00 1.68 1.70 0.00 3.10 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.86 0.00 43 N 7.45 4.87 0.00 2.78 2.57 0.00 0.00 6.98 7.55 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 44 W 8.19 2.00 0.00 3.19 3.33 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 45 R 8.05 4.16 0.00 1.84 2.03 0.00 3.41 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 46 R 7.46 4.54 0.00 1.73 1.82 0.00 3.34 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 47 T 8.29 3.19 4.19 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 1.17 0.00 0.00 48 K 7.98 4.51 0.00 1.68 1.66 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.43 7.81 49 M 8.31 4.29 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 50 N 8.29 4.72 0.00 2.69 2.71 0.00 0.00 6.96 7.45 0.00 0.00 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 I 8.11 3.98 1.85 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 1.25 0.47 0.90 0.00 0.00