NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6608 8.3049 120.3303 55.2754 34.5098 176.0257 2 K 4.2008 7.8678 122.9086 57.2398 31.4057 173.0713 3 E 3.7070 8.5822 127.2468 55.3428 28.3324 172.5014 4 G 3.5268 7.3803 117.3664 45.1800 0.0000 173.8575 5 I 4.4675 7.2416 110.7087 59.7181 37.5347 173.4139 6 H 5.0065 8.1202 119.0768 54.8415 31.4639 173.3164 7 P 4.4663 0.0000 0.0000 62.9052 31.3188 176.5435 8 K 4.2813 7.9536 124.4750 56.2600 32.4526 174.3833 9 L 4.3045 7.5822 119.6368 55.3858 39.1626 171.5468 10 V 4.5216 7.4394 121.0489 59.6157 33.8767 172.8129 11 P 4.8320 0.0000 0.0000 64.0379 31.7970 174.8218 12 A 4.7676 9.3645 122.1615 50.9853 23.5731 174.9027 13 R 4.7424 8.4111 115.2166 54.6644 32.4318 175.5930 14 I 4.2173 9.5600 124.4199 59.9666 37.2333 174.8670 15 I 4.0606 8.4039 130.9292 60.0009 34.8001 174.6597 16 C 4.2435 8.0859 125.9132 59.5559 32.1241 173.5975 17 G 3.9315 8.3778 106.5447 46.9968 0.0000 174.2691 18 C 4.4847 7.8719 115.6112 57.9244 29.3745 172.6641 19 G 3.8765 6.6391 109.8056 46.6163 0.0000 174.4337 20 N 3.7673 6.7074 128.4090 49.9939 37.1460 173.5888 21 V 4.8973 7.7763 124.5695 60.9021 31.4795 175.3249 22 I 4.2007 8.1605 129.0887 61.0878 38.9473 174.8524 23 E 4.8470 8.3364 124.5977 54.8383 32.1236 173.8111 24 T 3.7999 8.3903 119.7274 61.6884 75.0371 172.0948 25 Y 5.2072 8.6998 118.9876 55.5842 43.2030 175.3205 26 S 4.6222 8.4251 123.6238 58.6127 64.7589 178.1134 27 T 4.0191 9.0712 112.2553 62.0282 69.9549 168.2866 28 K 3.8716 8.4489 135.0000 55.4817 29.9844 176.0608 29 P 4.6661 0.0000 0.0000 62.4406 30.9364 177.1186 30 E 4.3783 8.4812 115.7052 54.9461 29.1393 176.6066 31 I 4.1239 7.3549 120.5103 60.3266 38.5263 177.4812 32 Y 5.2854 8.1065 128.1749 55.5363 34.7571 174.9016 33 V 3.8031 7.6095 122.5479 63.5043 32.8977 176.2527 34 E 4.6239 8.4167 118.8992 57.5093 31.3253 176.5328 35 V 4.4035 7.0686 113.5028 62.5355 35.0224 171.4788 36 C 4.7211 8.0688 122.1914 58.0687 29.8785 177.6543 37 S 4.5938 8.6357 109.1675 56.1542 60.6716 174.4133 38 K 4.4501 7.4259 117.4940 55.8257 32.8537 175.3895 39 C 4.6929 8.4683 118.3883 58.1868 32.0494 170.1471 40 H 4.5246 8.5917 128.0741 54.1704 30.4083 173.8106 41 P 4.0871 0.0000 0.0000 62.0771 32.3361 174.2472 42 F 4.7867 7.8093 112.7740 57.2492 39.7575 171.3009 43 Y 4.0281 9.2937 118.5340 55.0061 40.6221 176.7787 44 T 3.2705 8.3267 104.7242 63.0173 68.8579 171.9558 45 G 4.3598 8.1762 114.5919 44.3696 0.0000 171.2159 46 Q 4.6403 8.2168 118.3317 55.2959 32.5842 175.4639 47 Q 4.5890 7.3004 119.0486 58.1139 32.8739 173.3271 48 R 4.3583 8.8374 114.7361 58.6826 33.0067 171.8940 49 F 3.7134 8.8155 119.4577 56.8199 37.9836 174.6204 50 V 3.5613 8.2044 122.0974 64.8877 31.6069 178.5961 51 D 4.6895 8.1928 118.8161 55.0664 39.8562 173.8608 52 T 4.2516 8.8678 109.6422 60.2713 67.5846 172.8035 53 E 4.6105 8.0205 125.6230 55.7511 32.6519 175.7334 54 G 3.7263 8.9074 115.6281 47.5373 0.0000 174.2817 55 R 4.4209 8.7681 119.0655 55.3222 28.6220 177.0599 56 V 3.8386 7.4616 115.3954 64.6292 32.5919 174.9861 57 E 4.2420 7.8672 124.4059 56.9521 29.8177 174.8755 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 4.66 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 2 K 7.87 4.20 0.00 1.80 1.46 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 E 8.58 3.71 0.00 2.16 1.97 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 2.23 2.29 0.00 4 G 7.38 3.53 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 0.00 5 I 7.24 4.47 1.90 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 1.49 0.77 0.93 0.00 0.00 6 H 8.12 5.01 0.00 3.17 3.26 0.00 5.63 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 7 P 0.00 4.47 0.00 2.06 2.09 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 8 K 7.95 4.28 0.00 2.03 2.00 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.36 7.81 9 L 7.58 4.30 0.00 1.83 1.70 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.44 4.52 2.12 0.00 0.00 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 0.95 0.00 0.00 11 P 0.00 4.83 0.00 2.11 2.36 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 12 A 9.36 4.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.74 0.00 1.76 1.95 0.00 3.06 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 14 I 9.56 4.22 1.93 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 1.21 0.58 0.89 0.00 0.00 15 I 8.40 4.06 1.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.79 0.00 0.00 16 C 8.09 4.24 0.00 3.05 2.93 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 17 G 8.38 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 0.00 0.00 0.00 18 C 7.87 4.48 0.00 3.08 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 19 G 6.64 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 20 N 6.71 3.77 0.00 2.72 2.75 0.00 0.00 6.84 7.71 0.00 0.00 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 7.78 4.90 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 0.94 0.00 0.00 0.98 0.00 0.00 22 I 8.16 4.20 1.84 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 1.22 0.55 0.89 0.00 0.00 23 E 8.34 4.85 0.00 1.83 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.34 0.00 24 T 8.39 3.80 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 1.16 0.00 0.00 25 Y 8.70 5.21 0.00 2.83 2.97 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 26 S 8.43 4.62 0.00 4.00 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 27 T 9.07 4.02 4.27 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 1.23 0.00 0.00 28 K 8.45 3.87 0.00 2.09 1.93 0.00 1.68 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.53 7.81 29 P 0.00 4.67 0.00 2.06 2.09 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 30 E 8.48 4.38 0.00 1.88 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 2.41 2.57 0.00 31 I 7.35 4.12 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 1.21 0.46 0.89 0.00 0.00 32 Y 8.11 5.29 0.00 2.77 2.91 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 33 V 7.61 3.80 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 1.06 0.00 0.00 0.94 0.00 0.00 34 E 8.42 4.62 0.00 2.09 1.93 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 2.30 2.31 0.00 35 V 7.07 4.40 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 0.73 0.00 0.00 0.89 0.00 0.00 36 C 8.07 4.72 0.00 3.07 2.40 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 37 S 8.64 4.59 0.00 3.90 3.90 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 38 K 7.43 4.45 0.00 1.67 1.74 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 39 C 8.47 4.69 0.00 2.94 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 40 H 8.59 4.52 0.00 3.39 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.09 0.00 1.96 1.84 0.00 3.70 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 1.97 1.97 0.00 42 F 7.81 4.79 0.00 3.41 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 43 Y 9.29 4.03 0.00 3.20 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 T 8.33 3.27 4.27 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 1.36 0.00 0.00 45 G 8.18 4.36 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 0.00 46 Q 8.22 4.64 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 47 Q 7.30 4.59 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 48 R 8.84 4.36 0.00 1.95 1.92 0.00 3.03 0.00 0.00 3.26 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 49 F 8.82 3.71 0.00 3.20 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 50 V 8.20 3.56 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 1.07 0.00 0.00 0.93 0.00 0.00 51 D 8.19 4.69 0.00 2.99 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 52 T 8.87 4.25 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 1.23 0.00 0.00 53 E 8.02 4.61 0.00 1.91 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 2.17 2.22 0.00 54 G 8.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 4.42 0.00 1.87 2.00 0.00 3.12 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.05 0.00 56 V 7.46 3.84 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 0.79 0.00 0.00 0.98 0.00 0.00 57 E 7.87 4.24 0.00 1.89 1.74 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 2.17 2.32 0.00