NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2518 0.0000 0.0000 61.2776 33.2514 178.0639 17 S 3.6447 8.1510 111.3464 58.7359 62.0143 170.0702 18 R 4.4541 7.7203 117.8347 56.9364 32.1892 177.3057 19 K 4.0538 7.9200 116.7163 59.1965 32.3134 177.5542 20 A 4.3069 7.3891 127.2719 50.0507 19.8767 174.5209 21 K 4.0862 8.7944 120.4797 58.0071 31.9566 178.6388 22 V 2.5383 8.9431 119.6078 63.3914 32.6680 180.4277 23 K 5.1369 8.0051 120.3021 59.1749 35.5188 176.0602 24 A 4.1999 7.8480 120.8388 55.2893 18.4672 179.5332 25 T 3.9789 8.8144 112.5719 65.7564 68.8266 173.1007 26 L 4.9340 7.6669 119.7456 52.9417 45.0554 174.3282 27 G 4.2880 8.3888 108.2335 43.5528 0.0000 172.4355 28 E 3.7859 8.5740 117.0569 56.5981 29.6527 176.3627 29 F 4.9955 7.3114 115.7767 55.2485 41.1198 174.8592 30 D 4.6481 8.6553 122.4479 53.1371 38.6577 176.2881 31 L 3.6893 8.1699 124.3054 56.9584 42.5944 177.6705 32 R 4.2838 7.6130 116.3147 56.9265 30.6727 175.9206 33 D 4.0159 8.7017 119.7700 53.9768 41.4926 175.3817 34 Y 4.3388 7.1474 125.2327 59.8231 38.6907 177.1058 35 R 4.1484 8.1753 118.4065 58.9427 30.9546 177.5026 36 N 4.6971 8.6644 118.5189 54.3722 37.7980 176.7016 37 V 3.5536 7.8974 115.8207 65.4828 32.3895 179.3242 38 E 3.7523 8.0467 117.6410 59.4242 29.1399 179.7022 39 V 3.5815 7.9322 119.7286 64.2243 30.9501 178.6617 40 L 3.8542 7.7824 118.0300 56.7232 41.9910 180.5784 41 K 4.5645 8.8355 118.5932 59.6784 31.8762 178.5945 42 R 3.8727 7.7903 117.3954 59.5021 30.2888 177.7244 43 F 4.5214 9.2671 114.7663 57.8065 38.9306 174.6368 44 L 5.0721 7.9397 121.9332 52.7600 43.2273 177.6036 45 S 4.4747 8.6665 117.2525 57.8842 64.1553 173.5324 46 E 4.0469 8.8259 118.5093 59.3551 29.7490 176.5924 47 T 4.8105 7.5913 115.3526 61.8266 71.0799 174.7164 48 G 3.8467 8.5942 110.8561 46.6888 0.0000 174.2980 49 K 3.9606 7.5041 119.9429 56.5870 32.5028 176.5188 50 I 4.4867 8.2962 123.7016 60.4917 36.9077 174.9305 51 L 3.7980 8.4266 125.8128 52.6173 41.9863 176.0537 52 P 4.5206 0.0000 0.0000 62.2291 32.8653 177.6487 53 R 4.4461 8.5426 118.1618 59.2183 30.0262 179.1980 54 R 4.2485 7.9917 113.6004 57.6999 30.3466 176.9569 55 R 4.5100 8.2372 115.5904 57.9261 33.5882 177.3216 56 T 4.2656 8.6432 107.2814 62.5287 68.8566 174.8494 57 G 4.3025 8.1739 109.1808 46.3179 0.0000 173.3509 58 L 4.6271 7.4253 119.8525 53.3722 43.7287 175.9751 59 S 4.8341 8.2463 113.0560 56.4917 65.0081 175.4107 60 G 3.3477 8.7169 111.1438 48.1631 0.0000 174.3943 61 K 4.1542 7.4290 120.4160 58.1590 32.4470 177.5519 62 E 3.8609 9.2705 119.1093 60.0871 29.2344 179.3919 63 Q 4.0191 9.1054 120.1874 59.4260 28.4585 178.9586 64 R 4.0334 8.5442 119.6181 58.6695 30.1574 178.2115 65 I 3.9070 8.2125 120.0580 63.6911 37.3073 177.8641 66 L 3.8474 7.7886 120.5950 57.8386 41.6240 178.3141 67 A 3.8838 7.3216 119.1987 56.0171 18.6110 178.8817 68 K 3.7078 8.4549 116.4091 59.6646 32.1443 180.7973 69 T 3.3203 8.7602 111.0467 64.0251 69.0496 175.6225 70 I 3.5570 8.1541 120.5613 64.7665 37.5361 178.0424 71 K 3.7372 8.2599 118.6925 60.0104 32.0934 179.0220 72 R 3.8408 8.1259 117.6339 59.2983 29.9929 178.5451 73 A 3.9417 8.0681 119.5891 55.5723 17.7602 179.3380 74 R 4.5595 8.0600 117.8531 59.0277 29.8480 178.9282 75 I 3.9534 7.8817 119.0921 64.5704 37.0151 180.3704 76 L 4.4277 8.5640 118.0109 55.4648 42.8222 178.7076 77 G 4.0309 8.9677 103.4106 46.5295 0.0000 173.3557 78 L 4.6517 8.5481 121.4265 55.9203 48.1097 176.8955 79 L 4.6031 7.6500 118.3985 51.8239 43.2613 174.7933 80 P 4.8370 0.0000 0.0000 63.1230 31.6683 175.3970 81 F 4.5552 8.2113 113.7953 57.3943 40.9172 174.7981 82 T 4.1251 7.5657 112.5695 62.2700 69.5261 170.3964 83 E 4.6967 8.4626 122.4929 55.4556 33.6025 174.3520 84 K 4.4439 8.1768 118.7417 54.4051 33.7324 176.4741 85 L 3.9190 8.3638 124.6697 55.1164 41.1000 176.5879 86 V 3.8439 8.0246 126.0880 62.7373 33.7345 177.3133 87 R 3.6662 9.5348 123.4417 55.2827 28.3613 176.5850 88 K 4.1427 9.2242 125.6237 57.5542 33.1535 173.8594 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 16 P 0.00 4.25 0.00 2.24 2.36 0.00 3.79 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 2.07 1.96 0.00 17 S 8.15 3.64 0.00 4.11 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 18 R 7.72 4.45 0.00 1.82 1.96 0.00 3.43 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 19 K 7.92 4.05 0.00 1.86 1.96 0.00 1.60 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.49 7.81 20 A 7.39 4.31 1.22 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 0.00 0.00 0.00 0.00 0.00 21 K 8.79 4.09 0.00 1.90 1.84 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.65 7.81 22 V 8.94 2.54 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 0.22 0.00 0.00 0.75 0.00 0.00 23 K 8.01 5.14 0.00 2.27 2.11 0.00 2.26 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.57 7.81 24 A 7.85 4.20 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 25 T 8.81 3.98 4.23 0.00 0.00 0.00 0.00 0.00 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 26 L 7.67 4.93 0.00 1.89 1.70 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.39 4.29 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 0.00 0.00 0.00 28 E 8.57 3.79 0.00 1.98 1.91 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 2.27 2.31 0.00 29 F 7.31 5.00 0.00 3.09 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 30 D 8.66 4.65 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 3.69 0.00 1.73 1.75 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.61 4.28 0.00 1.73 2.10 0.00 3.14 0.00 0.00 3.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 33 D 8.70 4.02 0.00 2.54 2.65 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 0.00 0.00 0.00 0.00 34 Y 7.15 4.34 0.00 3.08 3.11 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 35 R 8.18 4.15 0.00 2.05 2.13 0.00 3.33 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.14 0.00 36 N 8.66 4.70 0.00 2.91 2.73 0.00 0.00 7.08 7.05 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 37 V 7.90 3.55 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 0.70 0.00 0.00 0.98 0.00 0.00 38 E 8.05 3.75 0.00 1.94 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 2.32 2.30 0.00 39 V 7.93 3.58 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 0.94 0.00 0.00 0.36 0.00 0.00 40 L 7.78 3.85 0.00 1.88 1.72 1.04 0.91 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 41 K 8.84 4.56 0.00 1.83 1.77 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.72 7.81 42 R 7.79 3.87 0.00 1.51 1.54 0.00 2.94 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 43 F 9.27 4.52 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 5.07 0.00 1.82 1.58 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.67 4.47 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 4.05 0.00 1.96 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 2.32 2.40 0.00 47 T 7.59 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 1.28 0.00 0.00 48 G 8.59 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 49 K 7.50 3.96 0.00 1.94 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 50 I 8.30 4.49 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.45 0.90 0.00 0.00 51 L 8.43 3.80 0.00 1.79 1.70 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.52 0.00 2.09 2.01 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 53 R 8.54 4.45 0.00 1.85 1.99 0.00 3.59 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 54 R 7.99 4.25 0.00 1.81 1.99 0.00 3.16 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 1.65 1.67 0.00 55 R 8.24 4.51 0.00 1.86 1.90 0.00 3.47 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 56 T 8.64 4.27 4.38 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 1.51 0.00 0.00 57 G 8.17 4.30 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 0.00 58 L 7.43 4.63 0.00 1.61 1.72 0.78 1.19 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 59 S 8.25 4.83 0.00 3.98 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 60 G 8.72 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 0.00 0.00 0.00 61 K 7.43 4.15 0.00 1.81 1.70 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 62 E 9.27 3.86 0.00 2.05 1.96 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 0.00 2.30 2.32 0.00 63 Q 9.11 4.02 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 64 R 8.54 4.03 0.00 2.14 2.00 0.00 3.12 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 65 I 8.21 3.91 1.90 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 1.39 0.93 0.90 0.00 0.00 66 L 7.79 3.85 0.00 1.41 1.43 0.59 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.32 3.88 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 68 K 8.45 3.71 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 69 T 8.76 3.32 4.40 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 1.23 0.00 0.00 70 I 8.15 3.56 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 1.50 0.77 0.81 0.00 0.00 71 K 8.26 3.74 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.63 7.81 72 R 8.13 3.84 0.00 2.13 1.91 0.00 3.35 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 73 A 8.07 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 4.56 0.00 1.63 0.66 0.00 2.78 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 75 I 7.88 3.95 2.09 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 1.66 1.11 0.93 0.00 0.00 76 L 8.56 4.43 0.00 1.42 1.61 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.97 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 78 L 8.55 4.65 0.00 1.59 1.67 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.65 4.60 0.00 1.69 1.49 0.91 1.00 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 80 P 0.00 4.84 0.00 2.22 2.14 0.00 3.68 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 1.98 2.00 0.00 81 F 8.21 4.56 0.00 2.94 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 82 T 7.57 4.13 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 83 E 8.46 4.70 0.00 1.96 1.83 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 2.23 2.28 0.00 84 K 8.18 4.44 0.00 1.73 1.72 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.34 7.81 85 L 8.36 3.92 0.00 1.59 1.64 0.92 0.95 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 86 V 8.02 3.84 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 0.86 0.00 0.00 1.00 0.00 0.00 87 R 9.53 3.67 0.00 2.00 1.75 0.00 3.41 0.00 0.00 3.15 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 88 K 9.22 4.14 0.00 1.85 1.75 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.47 7.81