NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 I 4.3394 8.0244 121.3999 61.2629 38.2497 174.0135 14 L 4.7406 9.7400 130.0666 52.8520 45.8906 173.4407 15 T 5.2686 8.6476 119.7613 61.8650 72.1118 173.1474 16 I 4.5601 9.1666 125.8660 59.6901 41.6792 173.7192 17 R 4.8557 8.7184 128.6317 55.3340 31.5108 175.6172 18 L 4.7842 8.7863 123.9684 52.7054 44.3014 175.8543 19 L 4.5905 8.5746 125.9271 55.4922 43.3836 176.0061 20 M 4.8632 8.3890 123.3747 54.4226 37.0845 174.6437 21 H 4.8082 8.7778 121.1331 55.0518 29.3859 175.9682 22 G 3.7566 8.6107 106.9511 48.2705 0.0000 175.6384 23 K 3.8902 7.9942 121.1344 59.4662 32.5838 178.1103 24 E 4.0925 8.3171 119.2037 59.2747 29.4044 179.4660 25 V 3.6893 7.7014 117.3714 66.1472 31.1855 178.0004 26 G 3.8806 7.7817 105.2741 48.1444 0.0000 175.4770 27 S 4.1428 7.6005 114.3692 61.4411 62.6829 176.1631 28 I 3.8720 7.9670 122.0689 62.8406 37.6201 176.3175 29 I 4.7114 6.9644 119.5916 59.2657 36.9776 175.5068 30 G 3.8912 7.7916 111.3888 44.9383 0.0000 171.4344 31 K 3.9673 8.3840 119.2429 60.1781 31.8177 176.6332 32 K 4.0692 8.7090 123.1778 55.4436 29.9853 177.4400 33 G 4.1057 8.9322 107.3779 44.9711 0.0000 175.4917 34 E 3.9641 8.2958 118.9325 59.4763 29.5597 178.9650 35 S 4.0848 8.1234 116.1117 61.4222 62.8817 176.9330 36 V 3.5512 7.5355 120.3297 66.0423 31.3098 177.7005 37 K 3.3748 7.8429 118.8426 60.3825 31.7812 177.8506 38 R 4.1089 8.5398 118.9825 57.7634 29.9940 178.6094 39 I 3.6650 7.9473 118.7159 65.4431 37.5330 177.9393 40 R 3.9714 9.0574 119.8873 59.1983 29.6522 178.6440 41 E 4.1143 8.3129 120.4053 58.6836 29.7564 178.3484 42 E 4.5195 8.6470 117.5064 56.5906 31.2417 177.2396 43 S 4.6304 8.2863 113.5976 57.6922 63.8691 175.9688 44 G 3.9098 7.9412 108.6999 45.1250 0.0000 173.1963 45 A 4.4519 7.4117 120.9624 51.3169 20.1579 177.6502 46 R 4.3049 9.2991 120.9898 55.5624 31.1720 175.2447 47 I 5.0679 8.3619 127.4658 59.5122 39.7498 174.7168 48 N 4.9989 8.9845 125.0690 51.8484 42.4637 173.1622 49 I 5.0561 8.3379 125.8873 58.8054 39.3216 174.4431 50 S 4.1134 8.3953 121.6970 58.9948 63.0732 174.9790 51 E 4.2276 8.6394 123.8179 55.3034 31.7502 173.2282 52 G 3.9888 8.7075 111.0922 46.0316 0.0000 174.3500 53 N 4.6302 8.5563 122.8605 53.7032 36.2937 173.0877 54 C 4.7185 7.5740 119.1149 56.4898 33.9962 171.5085 55 P 4.4589 0.0000 0.0000 65.3235 31.9280 175.6910 56 E 4.9244 8.1151 118.5760 54.3053 31.6166 175.9901 57 R 4.7105 8.8413 122.5456 54.4180 34.3310 174.6112 58 I 4.4168 8.3818 123.9746 60.7203 39.1714 174.9195 59 I 4.8561 8.5380 126.4242 60.1000 40.1092 174.5531 60 T 4.8115 9.1407 124.7441 61.9993 70.7699 173.8758 61 L 5.2694 8.5407 125.0053 53.3229 45.1042 175.7931 62 T 4.9573 9.2297 119.2942 61.1626 73.0126 174.9002 63 G 3.8512 7.9571 112.9538 43.8386 0.0000 170.4472 64 P 4.5431 0.0000 0.0000 62.1932 33.3047 176.7604 65 T 3.7590 8.4417 114.9278 67.7003 68.2792 176.0451 66 N 3.9772 7.8731 116.7128 56.2956 38.7397 176.9828 67 A 4.5466 7.9416 122.8108 54.7834 18.3082 179.3466 68 I 3.7257 8.0208 117.8977 65.0546 37.2052 178.4632 69 F 4.1741 8.9212 118.2022 60.8948 38.8171 178.1556 70 K 3.9848 9.0423 117.7569 59.6736 32.0634 179.2252 71 A 4.0290 8.1801 120.7423 55.1695 18.3335 179.1677 72 F 4.0511 9.2124 119.7512 61.6295 39.3905 176.9826 73 A 3.9502 8.8525 120.4698 55.6960 18.0926 179.5833 74 M 3.9930 8.1668 116.9613 58.2988 31.9745 178.9639 75 I 3.5865 7.7384 119.9697 64.4230 37.3425 178.0862 76 I 3.4060 7.6426 120.7320 64.8194 36.8434 178.0315 77 D 4.5683 8.2333 119.4817 57.4275 40.3807 179.2733 78 K 4.1220 7.9524 118.1424 59.5415 32.3933 179.1416 79 L 4.2451 7.8859 119.2861 57.4340 41.3166 178.7475 80 E 3.9566 8.3996 119.3065 59.0815 29.5223 177.8420 81 E 4.5710 7.6144 115.5318 56.6624 31.3576 175.9782 82 D 4.8018 8.2866 117.8610 55.3275 42.2935 175.6945 83 I 4.5900 7.8594 121.4752 59.6739 37.3449 175.5056 84 N 5.4106 8.1620 121.9187 53.0978 38.9913 174.0607 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 13 I 8.02 4.34 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 1.22 1.06 0.91 0.00 0.00 14 L 9.74 4.74 0.00 1.67 1.45 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.65 5.27 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 16 I 9.17 4.56 1.86 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 1.18 1.24 0.92 0.00 0.00 17 R 8.72 4.86 0.00 1.72 1.85 0.00 3.26 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 18 L 8.79 4.78 0.00 1.59 1.59 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.57 4.59 0.00 1.63 1.53 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.39 4.86 0.00 1.88 1.88 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 2.52 2.81 0.00 21 H 8.78 4.81 0.00 3.18 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.61 3.76 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 0.00 0.00 0.00 23 K 7.99 3.89 0.00 1.92 1.98 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.56 7.81 24 E 8.32 4.09 0.00 2.21 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 0.00 2.41 2.43 0.00 25 V 7.70 3.69 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 1.01 0.00 0.00 1.00 0.00 0.00 26 G 7.78 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.60 4.14 0.00 3.83 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 28 I 7.97 3.87 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.11 0.90 0.00 0.00 29 I 6.96 4.71 1.87 0.00 0.00 nan 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 0.78 0.91 0.00 0.00 30 G 7.79 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 0.00 0.00 0.00 31 K 8.38 3.97 0.00 1.85 1.93 0.00 1.43 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 32 K 8.71 4.07 0.00 1.82 2.34 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.34 7.81 33 G 8.93 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 0.00 0.00 0.00 0.00 34 E 8.30 3.96 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 35 S 8.12 4.08 0.00 4.01 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 36 V 7.54 3.55 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 1.00 0.00 0.00 0.97 0.00 0.00 37 K 7.84 3.37 0.00 2.03 1.93 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.51 7.81 38 R 8.54 4.11 0.00 1.99 1.86 0.00 3.22 0.00 0.00 3.17 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 39 I 7.95 3.66 1.96 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 1.52 0.74 0.92 0.00 0.00 40 R 9.06 3.97 0.00 1.86 1.90 0.00 3.14 0.00 0.00 3.18 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 41 E 8.31 4.11 0.00 2.12 2.02 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 2.35 2.36 0.00 42 E 8.65 4.52 0.00 1.97 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 2.26 2.29 0.00 43 S 8.29 4.63 0.00 4.32 4.15 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 44 G 7.94 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.41 4.45 1.25 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 0.00 0.00 0.00 46 R 9.30 4.30 0.00 1.88 1.89 0.00 3.05 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 47 I 8.36 5.07 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.93 0.00 0.00 48 N 8.98 5.00 0.00 2.83 2.60 0.00 0.00 6.55 8.24 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 49 I 8.34 5.06 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 1.41 0.80 0.91 0.00 0.00 50 S 8.40 4.11 0.00 3.82 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 51 E 8.64 4.23 0.00 2.10 2.04 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 2.26 2.25 0.00 52 G 8.71 3.99 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 0.00 0.00 0.00 53 N 8.56 4.63 0.00 2.73 2.82 0.00 0.00 6.93 7.66 0.00 0.00 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 7.57 4.72 0.00 2.97 2.84 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 0.00 0.00 0.00 55 P 0.00 4.46 0.00 2.17 2.31 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 56 E 8.12 4.92 0.00 1.85 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 2.22 2.25 0.00 57 R 8.84 4.71 0.00 1.67 1.76 0.00 3.28 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 58 I 8.38 4.42 1.88 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 1.23 1.66 0.92 0.00 0.00 59 I 8.54 4.86 1.89 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 1.23 0.86 0.93 0.00 0.00 60 T 9.14 4.81 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 61 L 8.54 5.27 0.00 1.74 1.59 1.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 T 9.23 4.96 4.35 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 1.22 0.00 0.00 63 G 7.96 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 0.00 0.00 0.00 64 P 0.00 4.54 0.00 2.14 1.95 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 65 T 8.44 3.76 3.98 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 0.00 0.00 0.84 0.00 0.00 66 N 7.87 3.98 0.00 2.62 2.81 0.00 0.00 6.79 7.48 0.00 0.00 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 A 7.94 4.55 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.02 3.73 2.20 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.21 0.98 0.00 0.00 69 F 8.92 4.17 0.00 3.13 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 70 K 9.04 3.98 0.00 1.96 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.81 7.81 71 A 8.18 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 9.21 4.05 0.00 3.13 3.27 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 0.00 0.00 0.00 0.00 73 A 8.85 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.17 3.99 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.58 0.00 75 I 7.74 3.59 1.87 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 1.49 0.63 0.78 0.00 0.00 76 I 7.64 3.41 1.77 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.06 0.76 0.00 0.00 77 D 8.23 4.57 0.00 2.93 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 78 K 7.95 4.12 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 79 L 7.89 4.25 0.00 1.65 1.67 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.40 3.96 0.00 2.01 2.18 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 2.31 2.31 0.00 81 E 7.61 4.57 0.00 2.11 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 2.56 2.35 0.00 82 D 8.29 4.80 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.86 4.59 1.86 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 1.29 0.65 0.90 0.00 0.00 84 N 8.16 5.41 0.00 2.60 2.59 0.00 0.00 7.19 7.56 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