NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4734 8.3049 120.3267 55.3712 33.5338 175.3553 2 K 4.4197 8.1599 120.9669 59.3342 32.5691 174.9158 3 K 4.5371 6.6260 116.9373 53.9497 34.5107 175.7174 4 R 4.7565 7.9635 118.7378 54.5316 32.0591 174.9327 5 L 4.4331 7.8368 116.5533 55.4104 42.6574 174.0313 6 T 4.5864 8.4174 116.9637 61.7238 70.7997 173.5236 7 I 4.6747 8.0892 117.6236 59.1575 40.7973 174.4251 8 T 4.6552 8.1653 115.6166 61.8344 71.5210 173.6356 9 L 4.8040 8.1268 124.0750 51.7275 46.1141 176.5662 10 S 4.1527 8.4842 114.6555 58.1804 63.6438 174.0724 11 E 3.8728 8.9331 129.9449 59.9540 29.3023 178.5313 12 S 4.0087 8.2209 111.9949 61.8303 62.2540 176.0934 13 V 3.5482 7.7283 119.6650 65.9469 31.2948 177.5625 14 L 3.8683 8.5230 120.4451 58.3204 41.7925 178.2823 15 E 3.9177 8.5715 119.2060 59.5029 29.5655 178.0064 16 N 4.1866 8.1781 116.7560 56.8526 38.9266 176.0827 17 L 3.8567 8.3570 121.5918 58.3518 42.1396 178.2269 18 E 3.9125 8.8595 119.4133 60.0757 29.3767 178.2250 19 K 3.8916 8.8178 119.6298 59.4897 32.0258 178.1173 20 M 4.1599 9.2437 119.6533 57.7356 32.2073 178.8721 21 A 3.9540 8.4645 120.8218 55.2985 18.4979 179.6125 22 R 3.8389 8.1146 117.1940 59.6162 29.7307 178.5626 23 E 4.0049 8.5622 118.6974 59.4800 29.3256 178.3882 24 M 4.5056 8.1539 115.5145 54.3732 32.4812 176.2484 25 G 3.9195 7.7494 107.2380 46.9182 0.0000 173.7680 26 L 4.8628 7.8063 117.6059 51.7160 45.3221 177.6959 27 S 4.4057 8.2434 115.4321 57.9070 65.1206 175.4384 28 K 3.9184 8.5197 122.3788 59.8409 31.8533 179.3820 29 S 4.1264 8.1778 114.5267 61.7764 62.7461 176.6348 30 A 3.9391 8.0348 122.8822 55.3335 18.1577 178.9097 31 M 3.8778 8.6764 117.7906 59.1282 32.0981 178.3963 32 I 3.6612 8.3904 119.7354 64.6157 37.2724 178.2516 33 S 4.1172 8.3352 116.2521 62.3326 62.6953 176.5333 34 V 3.5210 8.5697 120.2956 65.8778 30.7501 177.4313 35 A 4.0083 8.3974 119.8368 55.7477 18.3605 179.1405 36 L 3.9171 8.2162 117.1291 58.1365 41.6700 179.1316 37 E 3.9029 8.5100 118.7441 59.8092 29.3761 178.2487 38 N 4.2016 8.5279 115.3729 57.2147 38.6916 175.3052 39 Y 4.3060 9.2449 121.2177 60.7845 38.5560 178.2695 40 K 3.8893 8.6626 120.5183 59.8083 32.1306 178.5398 41 K 3.8089 8.0154 117.4119 59.2236 31.9824 177.6895 42 G 3.7826 7.3610 104.6952 44.7656 0.0000 173.6832 43 Q 3.8337 8.8463 125.6451 56.1812 29.2780 173.4051 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 4.47 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 K 8.16 4.42 0.00 1.80 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 3 K 6.63 4.54 0.00 1.76 1.68 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 R 7.96 4.76 0.00 1.87 1.88 0.00 3.07 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 5 L 7.84 4.43 0.00 1.69 1.62 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.42 4.59 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 1.20 0.00 0.00 7 I 8.09 4.67 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 1.40 0.66 0.90 0.00 0.00 8 T 8.17 4.66 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 1.20 0.00 0.00 9 L 8.13 4.80 0.00 1.53 1.49 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.48 4.15 0.00 3.88 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 11 E 8.93 3.87 0.00 2.06 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 2.39 2.40 0.00 12 S 8.22 4.01 0.00 3.92 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 13 V 7.73 3.55 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 0.74 0.00 0.00 0.92 0.00 0.00 14 L 8.52 3.87 0.00 1.70 1.80 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.57 3.92 0.00 2.21 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 2.31 2.33 0.00 16 N 8.18 4.19 0.00 2.99 2.94 0.00 0.00 6.94 6.17 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 17 L 8.36 3.86 0.00 1.73 1.87 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.86 3.91 0.00 2.16 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 0.00 2.31 2.39 0.00 19 K 8.82 3.89 0.00 1.82 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.80 1.57 7.81 20 M 9.24 4.16 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 21 A 8.46 3.95 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 22 R 8.11 3.84 0.00 2.03 2.04 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 23 E 8.56 4.00 0.00 2.23 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 2.40 0.00 24 M 8.15 4.51 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 25 G 7.75 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.81 4.86 0.00 1.60 1.54 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.24 4.41 0.00 4.04 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 28 K 8.52 3.92 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.56 0.00 0.00 0.00 0.00 1.53 1.54 7.81 29 S 8.18 4.13 0.00 3.86 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 30 A 8.03 3.94 1.32 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 0.00 0.00 0.00 31 M 8.68 3.88 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 32 I 8.39 3.66 2.07 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 1.51 0.78 0.90 0.00 0.00 33 S 8.34 4.12 0.00 3.97 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 34 V 8.57 3.52 2.33 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 1.02 0.00 0.00 0.98 0.00 0.00 35 A 8.40 4.01 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 36 L 8.22 3.92 0.00 1.89 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.51 3.90 0.00 2.28 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 2.33 2.50 0.00 38 N 8.53 4.20 0.00 2.74 3.11 0.00 0.00 7.25 7.84 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 39 Y 9.24 4.31 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 40 K 8.66 3.89 0.00 1.98 2.06 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 41 K 8.02 3.81 0.00 1.83 1.89 0.00 1.76 0.00 0.00 2.12 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.64 7.81 42 G 7.36 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.85 3.83 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00