NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7018 8.2833 119.2065 52.8879 39.2623 174.1134 6 I 3.5406 8.1675 125.5245 63.2367 37.1596 175.5936 7 Q 3.8672 8.8845 121.2749 59.6356 29.2603 178.0362 8 D 4.2801 9.2873 120.1124 57.1249 40.7370 178.9329 9 Q 3.9803 8.0077 118.3813 58.8081 28.6723 178.0744 10 F 4.0073 8.3413 121.7608 61.5521 39.3988 177.2332 11 L 3.5245 7.9508 118.2695 57.6565 41.2181 179.1083 12 N 4.5388 8.3588 117.2776 56.7773 38.8421 176.7753 13 Q 3.9126 8.3570 120.2131 58.8862 28.9341 178.7391 14 I 3.8738 7.5460 115.3249 62.9159 37.2200 178.1946 15 R 3.9765 7.7665 120.9624 59.1535 29.7814 178.4803 16 K 3.9480 7.9412 117.3280 59.5868 32.0777 178.0170 17 E 4.1444 8.5616 115.3666 56.2688 29.5860 176.1543 18 N 4.0491 7.5108 115.5333 54.1444 36.6922 174.7010 19 T 4.2225 7.3034 112.4816 63.9675 70.0799 173.9043 20 Y 4.6330 9.2380 122.7381 57.4876 39.9196 175.0711 21 V 4.9664 8.9326 122.2021 60.4254 35.2276 174.3801 22 T 4.5971 8.7800 121.9970 62.8594 69.8468 173.9233 23 V 4.3667 8.9730 128.1562 61.9836 32.9975 174.5352 24 F 4.9184 9.3246 128.0677 56.2517 40.8792 175.2473 25 L 5.0183 8.9956 123.7474 52.9138 43.7006 177.8729 26 L 4.0357 9.1457 122.5730 58.0252 41.6775 178.5177 27 N 4.5416 8.1218 112.4381 53.5697 37.1152 175.5951 28 G 4.0580 8.1442 108.1710 45.2433 0.0000 173.9170 29 F 4.5328 8.6034 122.9123 57.7540 40.7578 174.2567 30 Q 4.9018 7.5338 121.9804 54.2225 31.4654 174.4090 31 L 4.7948 8.5251 120.9816 52.9189 45.6529 175.2148 32 R 4.9264 8.2208 123.0895 54.8798 32.2800 175.6022 33 G 4.2577 8.5046 110.9511 46.6823 0.0000 171.4374 34 Q 4.8411 8.0339 118.4997 53.8011 32.0114 175.4493 35 V 4.2735 8.2011 123.1307 62.8703 31.5050 175.7543 36 K 4.2906 9.2608 128.2093 56.8840 33.1841 177.0182 37 G 4.0222 7.7858 108.8589 45.8161 0.0000 171.3406 38 F 5.2012 7.5803 112.4111 56.0600 40.3022 173.5430 39 D 4.9020 8.4445 121.5532 52.3954 41.2442 175.1273 40 N 4.2920 8.9314 114.2090 55.9868 38.8789 175.6027 41 F 5.0248 8.3697 115.1991 57.6225 41.3203 174.8383 42 T 5.1879 8.2849 109.7356 59.8951 72.7439 172.9873 43 V 4.7635 8.7622 122.5057 61.0580 34.7596 174.0691 44 L 4.7203 9.1314 131.1035 54.4288 42.9886 175.0312 45 L 5.1678 8.8098 128.7359 53.2298 45.5533 174.4007 46 E 5.1478 9.3275 124.8529 54.4044 32.6232 174.3647 47 S 4.9174 8.8943 121.8916 56.5009 64.9387 173.7332 48 E 4.0395 9.8488 127.1170 57.3771 27.9801 175.8986 49 G 3.9535 7.9730 104.5724 46.0948 0.0000 172.0535 50 K 4.4409 7.8027 121.9333 54.4524 33.3651 175.4577 51 Q 4.6975 8.6228 125.3772 56.4810 29.6693 175.8408 52 Q 4.4968 9.4007 121.8601 54.0236 32.7090 173.9853 53 L 4.7289 8.6378 126.6865 54.2417 42.9985 175.4716 54 I 4.5167 8.4774 127.7970 59.4897 40.1368 174.9685 55 Y 4.4498 8.3889 124.5257 57.3426 38.7911 176.5871 56 K 3.9779 9.4067 125.4079 59.9044 32.3700 178.8224 57 H 4.1419 8.4665 112.3817 57.9012 28.3560 175.4401 58 A 4.5721 8.3484 122.2051 52.0031 19.5091 176.1168 59 I 4.5813 7.5731 117.6685 59.7489 38.8726 175.5789 60 S 4.5809 9.0547 119.7941 60.3985 64.3323 174.7443 61 T 4.6792 7.4982 115.4256 61.5919 72.9885 172.6423 62 F 5.5602 8.8714 122.8986 55.7763 41.8934 175.0325 63 A 4.9322 9.3617 125.4940 49.4273 20.7026 173.9556 64 P 4.8162 0.0000 0.0000 63.4254 32.1160 176.8409 65 Q 4.2904 9.2050 120.2154 58.7562 28.9753 177.1487 66 K 4.6573 7.7839 117.0604 53.5692 35.6871 175.7402 67 N 4.3896 8.8392 120.1881 53.8938 39.0904 174.4826 68 V 4.1399 8.1310 120.8128 61.3949 33.0930 174.9098 69 Q 4.4167 8.3895 127.1288 55.0943 29.8996 174.7976 70 L 4.8832 8.1856 123.7937 52.8355 45.8104 175.2662 71 E 4.5395 8.6582 118.6522 54.8684 30.9770 176.1336 72 L 4.3172 8.4538 122.4689 54.7317 42.0971 176.1900 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 5 N 8.28 4.70 0.00 2.75 2.82 0.00 0.00 7.05 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.17 3.54 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 1.53 0.54 0.88 0.00 0.00 7 Q 8.88 3.87 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 8 D 9.29 4.28 0.00 2.79 2.86 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 9 Q 8.01 3.98 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 10 F 8.34 4.01 0.00 3.11 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 11 L 7.95 3.52 0.00 0.64 0.38 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.36 4.54 0.00 3.15 2.90 0.00 0.00 7.27 7.86 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 13 Q 8.36 3.91 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 14 I 7.55 3.87 1.60 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.09 0.19 0.00 0.00 15 R 7.77 3.98 0.00 2.06 2.20 0.00 3.10 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 16 K 7.94 3.95 0.00 1.93 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 17 E 8.56 4.14 0.00 1.96 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 2.29 2.28 0.00 18 N 7.51 4.05 0.00 2.67 2.70 0.00 0.00 6.96 7.39 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 19 T 7.30 4.22 4.10 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 1.22 0.00 0.00 20 Y 9.24 4.63 0.00 3.00 2.90 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 0.00 0.00 0.00 0.00 21 V 8.93 4.97 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 1.03 0.00 0.00 1.20 0.00 0.00 22 T 8.78 4.60 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 0.30 0.00 0.00 23 V 8.97 4.37 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 0.77 0.00 0.00 1.14 0.00 0.00 24 F 9.32 4.92 0.00 2.89 2.96 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 0.00 0.00 0.00 25 L 9.00 5.02 0.00 1.91 1.74 1.05 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.15 4.04 0.00 1.73 1.77 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.12 4.54 0.00 2.85 2.97 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.14 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.60 4.53 0.00 3.23 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 30 Q 7.53 4.90 0.00 1.08 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.47 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 31 L 8.53 4.79 0.00 1.74 1.57 1.01 0.79 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 32 R 8.22 4.93 0.00 1.73 1.76 0.00 3.21 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 33 G 8.50 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 4.84 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.95 0.00 0.00 0.00 0.00 0.00 1.19 1.39 0.00 35 V 8.20 4.27 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 0.83 0.00 0.00 0.86 0.00 0.00 36 K 9.26 4.29 0.00 1.63 1.84 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.52 7.81 37 G 7.79 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 38 F 7.58 5.20 0.00 3.24 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 39 D 8.44 4.90 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.93 4.29 0.00 2.06 2.19 0.00 0.00 6.61 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 41 F 8.37 5.02 0.00 3.33 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 42 T 8.28 5.19 4.20 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 1.01 0.00 0.00 43 V 8.76 4.76 2.24 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 1.14 0.00 0.00 1.12 0.00 0.00 44 L 9.13 4.72 0.00 1.81 1.68 0.92 0.22 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 45 L 8.81 5.17 0.00 1.86 1.51 1.01 0.59 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 46 E 9.33 5.15 0.00 1.99 1.75 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 2.21 2.22 0.00 47 S 8.89 4.92 0.00 3.97 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.85 4.04 0.00 2.21 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 2.24 2.31 0.00 49 G 7.97 3.95 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 0.00 0.00 0.00 50 K 7.80 4.44 0.00 1.82 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 51 Q 8.62 4.70 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.47 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 52 Q 9.40 4.50 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 53 L 8.64 4.73 0.00 1.58 1.48 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.48 4.52 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.94 0.00 0.00 55 Y 8.39 4.45 0.00 2.85 2.48 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 0.00 0.00 0.00 0.00 56 K 9.41 3.98 0.00 1.91 1.98 0.00 1.93 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.62 1.63 7.81 57 H 8.47 4.14 0.00 3.28 3.55 0.00 5.51 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 58 A 8.35 4.57 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 59 I 7.57 4.58 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.38 0.00 0.00 60 S 9.05 4.58 0.00 3.77 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.68 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 1.14 0.00 0.00 62 F 8.87 5.56 0.00 2.94 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.36 4.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.82 0.00 2.28 2.01 0.00 3.99 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 65 Q 9.21 4.29 0.00 2.10 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 66 K 7.78 4.66 0.00 1.72 1.71 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.38 7.81 67 N 8.84 4.39 0.00 2.73 2.82 0.00 0.00 6.90 7.68 0.00 0.00 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 V 8.13 4.14 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 0.69 0.00 0.00 0.56 0.00 0.00 69 Q 8.39 4.42 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 70 L 8.19 4.88 0.00 1.64 1.52 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.66 4.54 0.00 2.07 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 2.21 2.26 0.00 72 L 8.45 4.32 0.00 1.63 1.58 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00