NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4540 8.3044 118.1943 54.7341 32.5959 175.0798 2 V 3.4361 8.4222 119.8627 64.9025 31.6632 174.4424 3 I 4.4406 7.8128 121.1720 59.4075 40.0009 174.2069 4 A 4.5289 8.9190 129.2664 50.8547 20.3971 178.2135 5 T 3.8978 8.4939 115.9590 67.0119 68.1613 176.7177 6 D 4.5233 8.0176 119.0339 56.0734 39.5487 177.4310 7 D 4.5540 7.8411 118.7000 55.6645 41.4136 176.5000 8 L 4.7816 8.0257 119.5067 55.3960 44.3383 176.1206 9 E 5.2584 7.8792 113.9732 55.4036 32.3312 174.6598 10 T 4.7946 8.9891 110.8505 59.7430 72.8378 173.1684 11 T 4.2718 8.6468 118.8240 64.4611 69.2247 173.4935 12 C 4.3514 9.0459 127.3723 58.8856 32.0383 172.8426 13 P 4.3603 0.0000 0.0000 65.3454 31.7430 177.2223 14 N 4.4166 8.4066 117.2340 56.0887 39.1788 174.9500 15 C 4.6320 7.9325 109.6475 57.0793 30.4336 173.6020 16 N 4.3273 9.0755 115.9651 54.5133 36.2087 175.3888 17 G 4.0200 8.2891 106.9087 45.2520 0.0000 176.2273 18 S 4.1269 7.6590 113.5319 59.2987 63.4309 175.7844 19 G 4.0189 8.2950 107.6087 46.0917 0.0000 172.7228 20 R 5.0407 7.6464 117.2039 54.3895 33.7487 175.5446 21 E 4.6326 8.9857 120.2995 54.4901 29.4662 173.9770 22 E 4.0173 7.7839 118.1287 55.5334 30.4816 175.6258 23 P 4.7136 0.0000 0.0000 62.6657 31.8595 175.1240 24 E 4.7722 7.7185 118.3489 53.7619 32.4272 173.8003 25 P 4.6360 0.0000 0.0000 62.4906 32.1430 175.9028 26 C 4.1687 8.8358 121.7521 59.0488 31.7536 173.0336 27 P 4.3144 0.0000 0.0000 65.1954 31.1780 177.5195 28 K 4.1683 7.9900 118.2510 58.0325 32.5546 176.6790 29 C 4.7389 7.6977 110.7002 56.5206 30.4655 173.4754 30 L 3.6526 8.7749 120.0065 56.4134 40.2769 175.4478 31 G 4.0034 8.2962 103.4311 45.2173 0.0000 176.1662 32 K 3.9959 7.9983 119.1328 57.4022 32.3728 178.4917 33 G 4.0252 9.1523 105.9643 46.0934 0.0000 172.6727 34 V 5.1609 7.2462 117.3707 59.9183 34.9054 174.4266 35 I 4.7269 8.6869 114.6596 58.9405 41.0325 174.5864 36 L 4.8250 8.4348 123.1279 54.8638 42.7549 177.1000 37 T 4.3632 8.2925 112.7171 60.6607 71.0437 175.5201 38 A 3.9574 8.5896 122.1723 55.3468 18.2826 179.4716 39 Q 3.9787 8.0935 117.7995 59.1907 29.2361 178.5083 40 G 3.5998 8.0518 106.7589 47.8612 0.0000 175.5645 41 S 4.1450 8.3682 116.1442 61.3595 62.3950 176.3785 42 T 3.9117 8.1533 118.5269 66.6819 68.2207 176.7154 43 L 4.0963 8.0083 120.8645 57.5984 41.6062 179.2688 44 L 3.9756 8.0914 120.3070 58.4424 42.1021 178.3575 45 H 4.0621 8.3745 118.1609 59.2335 29.8955 176.8330 46 F 4.2529 8.1793 121.8031 61.4267 39.2006 177.0151 47 I 3.4040 7.9454 119.2060 64.3599 36.6348 178.3785 48 K 3.7817 8.1187 119.3239 59.4956 31.6688 179.1958 49 K 3.7076 7.6281 118.4096 59.4614 32.1890 177.8669 50 H 4.4365 7.5128 113.4715 56.5738 29.1099 176.4298 51 I 4.2291 7.5533 119.7769 60.1691 38.8576 175.1588 52 H 4.4077 8.9916 121.9599 56.1186 29.1305 174.4312 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 4.45 0.00 2.14 2.14 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 2.48 2.54 0.00 2 V 8.42 3.44 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 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.81 4.44 1.87 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 1.34 0.78 0.91 0.00 0.00 4 A 8.92 4.53 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.90 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 8.02 4.52 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.55 0.00 2.83 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 8 L 8.03 4.78 0.00 1.70 1.68 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.88 5.26 0.00 2.03 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 2.35 2.31 0.00 10 T 8.99 4.79 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 11 T 8.65 4.27 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 1.22 0.00 0.00 12 C 9.05 4.35 0.00 3.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 4.36 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 N 8.41 4.42 0.00 2.70 2.89 0.00 0.00 6.81 7.65 0.00 0.00 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 C 7.93 4.63 0.00 3.19 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 16 N 9.08 4.33 0.00 2.87 2.94 0.00 0.00 7.13 8.90 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 17 G 8.29 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.66 4.13 0.00 4.01 4.01 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 19 G 8.29 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.65 5.04 0.00 1.80 1.80 0.00 3.27 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 21 E 8.99 4.63 0.00 1.88 1.76 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 2.19 2.25 0.00 22 E 7.78 4.02 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 2.32 2.30 0.00 23 P 0.00 4.71 0.00 2.17 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 24 E 7.72 4.77 0.00 2.01 1.85 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 2.21 2.34 0.00 25 P 0.00 4.64 0.00 2.17 2.05 0.00 3.77 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 1.95 0.00 26 C 8.84 4.17 0.00 2.85 2.95 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 27 P 0.00 4.31 0.00 2.08 2.10 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 28 K 7.99 4.17 0.00 1.71 1.83 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.42 7.81 29 C 7.70 4.74 0.00 3.24 3.07 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 0.00 0.00 0.00 30 L 8.77 3.65 0.00 1.75 1.74 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.30 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.00 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 G 9.15 4.03 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 0.00 0.00 0.00 34 V 7.25 5.16 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 0.80 0.00 0.00 1.06 0.00 0.00 35 I 8.69 4.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.91 0.00 0.00 36 L 8.43 4.82 0.00 1.56 1.64 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.29 4.36 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 38 A 8.59 3.96 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 8.09 3.98 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.05 3.60 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 0.00 0.00 0.00 0.00 41 S 8.37 4.15 0.00 3.95 4.02 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 0.00 0.00 0.00 0.00 42 T 8.15 3.91 4.39 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 1.20 0.00 0.00 43 L 8.01 4.10 0.00 1.75 1.78 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.09 3.98 0.00 1.86 1.78 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.37 4.06 0.00 3.36 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.18 4.25 0.00 3.16 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 47 I 7.95 3.40 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.76 0.88 0.00 0.00 48 K 8.12 3.78 0.00 1.80 1.78 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 49 K 7.63 3.71 0.00 1.63 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.10 1.30 7.81 50 H 7.51 4.44 0.00 2.76 3.13 0.00 5.66 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 51 I 7.55 4.23 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.89 0.00 0.00 52 H 8.99 4.41 0.00 3.07 3.30 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00