NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4729 0.0000 0.0000 62.6184 34.1340 177.9989 4 K 3.6702 7.6751 120.2442 58.2786 33.1660 176.1179 5 E 4.0852 8.9963 120.5305 59.1107 30.3724 177.8817 6 E 4.0662 7.8565 118.2612 58.7475 29.1212 178.9496 7 E 4.0696 7.6896 118.4876 59.4412 29.5500 178.7013 8 E 3.9895 8.0719 116.7803 59.3780 29.8459 178.5784 9 E 4.1051 8.0561 118.3159 59.6380 29.0194 179.0510 10 E 3.9957 7.9427 118.5776 59.3228 29.4992 178.6012 11 E 4.2335 7.8957 116.4711 57.7143 29.6168 177.1141 12 E 4.6896 7.8426 118.0780 55.9907 32.5711 175.6478 13 L 4.2948 7.4576 120.9002 54.5930 43.7630 172.1890 14 V 3.4426 9.3047 131.3327 63.5451 32.9494 171.2863 15 D 4.2962 8.0715 120.4877 51.8478 43.8798 174.5941 16 P 4.4022 0.0000 0.0000 65.0665 31.1841 178.4595 17 L 3.9366 7.9458 119.3074 58.4622 42.1708 178.9131 18 T 3.8642 7.5236 114.4259 66.8293 68.1100 176.6305 19 T 3.8470 7.9183 114.5924 65.1039 67.2759 176.1006 20 V 3.6801 7.6697 119.6807 65.8551 31.6358 177.8161 21 R 3.8880 8.5377 118.2878 59.7527 29.7918 178.5004 22 E 3.9514 8.0595 117.2238 59.4291 29.6498 178.3730 23 Q 4.1207 7.5468 117.4770 58.9013 29.3937 176.8348 24 C 4.5194 8.6253 118.0462 59.1653 40.2739 174.8653 25 E 4.1412 8.7205 118.0399 57.4809 29.0794 177.2055 26 Q 4.3318 7.7479 118.5060 57.5921 30.4833 175.9843 27 L 4.1130 7.7595 118.9092 55.0275 42.0376 178.3804 28 E 3.2654 7.2236 116.9935 57.2546 31.5804 179.0000 29 K 3.9679 8.0077 117.9160 59.6755 32.4424 179.1693 30 C 4.2947 8.5864 117.4340 63.0652 28.3158 176.3490 31 V 3.8022 7.9030 113.3859 64.3207 31.1864 178.5941 32 K 3.9473 8.2150 119.2180 59.4656 31.6951 178.8119 33 A 4.1692 8.2387 120.5736 54.4374 18.1366 179.3696 34 R 3.7513 8.5169 118.3949 58.8222 30.1787 177.9344 35 E 3.7769 8.2841 116.5402 58.4428 29.3931 178.8107 36 R 4.0570 7.8890 119.1323 58.3793 30.3378 178.2308 37 L 4.0298 7.4076 119.1827 57.8404 42.0616 178.6965 38 E 4.0333 9.0984 119.8659 59.0607 29.3043 179.1782 39 L 3.9799 7.6843 119.6175 57.9538 41.7246 179.3420 40 C 4.1526 7.8397 113.9774 61.1492 29.8006 175.2636 41 D 4.3342 8.3041 121.8232 57.4205 40.3829 178.4927 42 E 3.9062 8.4873 118.8086 59.7629 29.4015 179.3108 43 R 3.8361 7.7917 117.0963 59.5190 30.0536 177.7275 44 V 4.0454 7.8298 116.0687 63.9356 32.1060 176.9621 45 S 4.5626 7.6315 111.3273 58.9890 63.3619 175.7068 46 S 4.2563 8.2674 117.8012 60.7443 63.6745 174.6826 47 R 4.2582 7.5305 120.8367 54.7631 28.8685 177.7738 48 S 4.2810 7.7930 108.7300 59.4377 63.3480 173.3306 49 Q 4.4772 8.9087 116.9116 55.1597 32.6775 174.6983 50 T 3.3629 8.4317 108.6657 62.2920 65.0573 170.9528 51 E 4.8020 7.3495 122.6666 55.4363 33.8784 176.4751 52 E 4.6401 8.4038 123.0807 56.0324 28.7706 176.3782 53 D 4.8315 8.1849 117.7915 54.0399 43.3240 175.0904 54 C 4.9098 8.1781 113.5227 61.5444 30.4556 176.2321 55 T 3.9528 8.2720 119.6584 67.0412 67.9868 175.6768 56 E 3.9170 8.5017 121.0975 59.8987 29.1951 178.8903 57 E 4.0933 7.7548 117.9352 58.5436 29.4423 179.3010 58 L 3.9484 7.7424 121.0037 58.1988 42.3072 178.4673 59 L 4.0441 8.0784 118.4489 58.3553 41.3452 179.3025 60 D 4.4230 7.9532 117.7903 57.0654 40.6678 178.7839 61 F 4.2682 7.7681 121.4100 61.4116 39.4500 177.3820 62 L 3.6970 8.0857 118.5421 57.7739 41.3092 178.8598 63 H 4.0300 8.3826 118.2025 59.2680 29.3906 177.0147 64 A 4.0138 7.7864 122.3344 55.5045 18.0961 179.2558 65 R 3.7011 7.8065 117.2504 59.2625 30.3533 178.2122 66 D 4.3430 8.3766 119.0891 57.6964 40.7480 178.1522 67 H 4.1290 8.3375 119.7214 59.2013 29.6945 174.5215 68 C 4.5027 8.1506 115.6960 57.5071 42.8033 176.0732 69 V 3.4681 7.9436 121.7888 66.2023 31.0065 177.7800 70 A 4.0695 7.7048 118.7197 55.0796 18.1735 178.8139 71 H 4.1127 7.7801 116.5794 59.0052 30.3108 176.6947 72 K 4.4337 7.5474 118.7645 57.5678 33.3491 178.4758 73 L 3.8249 7.9892 121.0492 58.3501 41.7325 179.1060 74 F 4.0236 8.5072 116.5473 59.7245 39.0855 176.9876 75 N 4.5489 8.1600 118.8359 56.1797 39.0829 176.3449 76 S 4.2792 8.0696 114.1024 61.0082 63.1764 175.2168 77 L 3.7298 7.1043 116.7493 56.2662 41.7552 177.1251 78 K 4.2169 8.5626 123.1964 56.8955 33.1167 173.8042 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 3 P 0.00 4.47 0.00 2.19 2.04 0.00 3.56 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 2.01 2.08 0.00 4 K 7.68 3.67 0.00 1.87 1.80 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.49 7.81 5 E 9.00 4.09 0.00 2.07 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 2.37 2.56 0.00 6 E 7.86 4.07 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 7 E 7.69 4.07 0.00 2.08 2.16 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 2.30 2.34 0.00 8 E 8.07 3.99 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 9 E 8.06 4.11 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 10 E 7.94 4.00 0.00 2.14 1.95 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 2.32 2.43 0.00 11 E 7.90 4.23 0.00 1.93 1.99 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 2.34 2.31 0.00 12 E 7.84 4.69 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 13 L 7.46 4.29 0.00 1.70 1.39 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 14 V 9.30 3.44 2.07 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 0.70 0.00 0.00 0.92 0.00 0.00 15 D 8.07 4.30 0.00 2.71 2.43 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 16 P 0.00 4.40 0.00 2.14 2.05 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 17 L 7.95 3.94 0.00 1.74 1.82 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.52 3.86 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 1.22 0.00 0.00 19 T 7.92 3.85 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 1.32 0.00 0.00 20 V 7.67 3.68 2.19 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 0.98 0.00 0.00 0.99 0.00 0.00 21 R 8.54 3.89 0.00 2.09 2.02 0.00 3.21 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 22 E 8.06 3.95 0.00 2.15 2.01 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 2.35 2.36 0.00 23 Q 7.55 4.12 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 24 C 8.63 4.52 0.00 3.21 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 25 E 8.72 4.14 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.84 0.00 26 Q 7.75 4.33 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 27 L 7.76 4.11 0.00 1.72 1.57 0.93 0.87 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 28 E 7.22 3.27 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 29 K 8.01 3.97 0.00 1.88 1.86 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.60 7.81 30 C 8.59 4.29 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.80 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 0.99 0.00 0.00 1.05 0.00 0.00 32 K 8.21 3.95 0.00 2.01 1.95 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 33 A 8.24 4.17 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 3.75 0.00 1.81 1.80 0.00 2.85 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.00 35 E 8.28 3.78 0.00 2.23 2.25 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 2.44 2.34 0.00 36 R 7.89 4.06 0.00 1.93 2.01 0.00 3.13 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 37 L 7.41 4.03 0.00 1.96 1.72 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.10 4.03 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 39 L 7.68 3.98 0.00 1.78 1.71 0.91 0.78 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 40 C 7.84 4.15 0.00 3.15 3.18 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 0.00 41 D 8.30 4.33 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 3.91 0.00 2.12 2.00 0.00 0.00 0.00 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 43 R 7.79 3.84 0.00 2.00 2.07 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 44 V 7.83 4.05 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 0.93 0.00 0.00 0.93 0.00 0.00 45 S 7.63 4.56 0.00 4.09 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.26 0.00 3.91 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 47 R 7.53 4.26 0.00 1.91 1.87 0.00 3.21 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 48 S 7.79 4.28 0.00 3.98 3.89 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 49 Q 8.91 4.48 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.05 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 50 T 8.43 3.36 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 51 E 7.35 4.80 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 52 E 8.40 4.64 0.00 2.12 1.45 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 0.00 2.27 2.29 0.00 53 D 8.18 4.83 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.18 4.91 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.27 3.95 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 1.23 0.00 0.00 56 E 8.50 3.92 0.00 2.04 1.98 0.00 0.00 0.00 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 2.45 0.00 57 E 7.75 4.09 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 58 L 7.74 3.95 0.00 1.74 1.91 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.08 4.04 0.00 1.89 1.76 0.94 1.11 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 60 D 7.95 4.42 0.00 2.77 2.75 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 0.00 0.00 0.00 0.00 61 F 7.77 4.27 0.00 3.19 3.29 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 62 L 8.09 3.70 0.00 1.89 1.78 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.38 4.03 0.00 3.32 3.40 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.79 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.81 3.70 0.00 1.39 1.48 0.00 3.32 0.00 0.00 2.90 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 66 D 8.38 4.34 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.34 4.13 0.00 3.41 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.15 4.50 0.00 3.05 3.35 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 69 V 7.94 3.47 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 1.02 0.00 0.00 0.94 0.00 0.00 70 A 7.70 4.07 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 71 H 7.78 4.11 0.00 3.09 3.37 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.55 4.43 0.00 1.93 1.84 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 73 L 7.99 3.82 0.00 2.01 1.83 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.51 4.02 0.00 3.12 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 75 N 8.16 4.55 0.00 2.72 2.87 0.00 0.00 7.20 6.96 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 76 S 8.07 4.28 0.00 4.03 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.10 3.73 0.00 1.28 1.35 0.28 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.56 4.22 0.00 1.74 1.79 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.35 7.81