NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5950 8.3044 120.3497 55.4060 32.3240 173.6189 2 K 4.3806 8.9026 128.8356 53.5397 34.0453 173.9718 3 R 3.9645 9.6633 129.6527 56.9964 30.7666 174.6057 4 L 4.6680 9.8564 126.5107 55.4606 42.7547 178.3459 5 G 3.9152 7.1196 104.0263 44.5820 0.0000 171.3304 6 K 4.5228 7.7999 118.9627 55.8683 32.8386 177.1539 7 V 3.8791 8.2376 122.8589 62.8965 31.7266 176.7703 8 L 4.1363 9.1655 130.0099 57.7856 42.2950 176.6135 9 H 4.5180 7.4549 111.8435 55.8366 31.4185 172.5148 10 Y 5.1071 8.2107 119.0942 55.3964 39.0893 174.3668 11 A 4.1071 8.7793 132.0196 51.8976 18.9068 178.4468 12 K 3.5267 8.6120 122.3813 59.2233 32.2190 177.7747 13 Q 4.1686 7.8589 115.5122 56.2580 28.8744 176.0962 14 G 3.6348 8.9107 106.9596 46.1913 0.0000 173.4671 15 F 5.1200 7.4557 116.0031 55.1928 43.7644 174.2064 16 L 4.8636 9.3440 123.3028 54.6160 43.2105 175.8170 17 I 5.0848 8.7629 124.1099 59.5534 40.0959 174.7093 18 V 4.7338 8.5512 126.6871 60.9392 34.6056 174.0746 19 R 4.4392 8.5207 128.5363 55.7301 30.7285 175.0649 20 T 4.8059 8.5243 116.7645 59.7289 72.5034 173.9298 21 N 5.1588 8.9324 116.1973 52.1900 37.9220 173.4678 22 W 5.1306 7.6324 114.3893 55.2850 31.3035 174.5611 23 V 3.7952 8.3376 119.1517 60.4589 30.5828 173.6609 24 P 4.3879 0.0000 0.0000 62.0819 32.6262 175.3412 25 S 4.8058 8.9654 114.2108 56.3323 64.6000 174.3127 26 L 3.9973 8.2117 123.7186 56.5017 41.8013 176.9946 27 N 4.5059 9.4991 120.0171 53.9993 36.5592 174.0990 28 D 4.7267 7.6941 118.7422 54.1596 42.4029 176.0129 29 R 4.7656 8.7163 121.6031 56.2077 31.6192 175.4962 30 V 4.9548 9.2618 123.8019 61.4521 34.4082 174.7590 31 V 5.1276 9.1618 119.2201 59.9290 36.9388 174.1989 32 D 5.3176 8.5995 122.3742 51.6307 41.6593 177.5211 33 K 3.8276 9.1412 117.2806 59.1414 32.2917 177.4757 34 R 4.5228 8.0262 118.5011 55.9741 30.4075 175.6438 35 L 3.7286 7.8326 114.5915 55.4588 40.2214 174.3236 36 Q 4.2331 8.7829 120.4438 55.1713 29.5133 175.1408 37 F 4.7893 8.9410 128.0238 58.6832 40.3032 173.5481 38 V 3.6811 7.9357 127.0222 63.7041 33.8952 174.9455 39 G 3.6802 6.1404 103.8700 45.9586 0.0000 171.4161 40 I 5.1849 7.6945 119.8762 59.1644 40.9879 175.6022 41 V 4.1487 8.7458 126.6035 63.3356 31.7408 176.2316 42 K 4.4391 8.8851 127.5453 56.6297 33.4452 175.8325 43 D 4.5959 7.6169 117.6460 53.5225 44.6277 174.2303 44 V 4.9666 8.3601 122.5359 61.6322 34.7053 174.0618 45 F 4.6814 8.8233 121.9884 56.8783 41.3118 173.4785 46 G 3.9876 9.0509 107.1084 44.1365 0.0000 170.9029 47 P 4.3852 0.0000 0.0000 62.4027 31.7594 177.5024 48 V 3.3976 8.5898 121.7664 64.7717 31.3930 177.8297 49 K 4.1039 8.1613 118.4619 59.7104 32.8163 177.4773 50 M 4.8955 7.2707 120.9911 51.1624 31.4146 173.4890 51 P 4.6187 0.0000 0.0000 62.4001 34.0894 174.9877 52 Y 4.6935 8.7677 118.0591 56.0522 40.9263 175.3347 53 V 4.6476 8.3299 121.1515 61.0892 35.0344 173.9550 54 A 5.1537 9.1616 130.3152 50.7509 20.7869 175.6115 55 I 4.7995 8.9884 124.7725 59.6116 39.6672 175.3453 56 K 4.4909 9.0771 130.5951 55.3213 32.9297 174.4698 57 P 4.6748 0.0000 0.0000 62.3719 32.2917 176.3014 58 K 4.6982 8.9293 122.3556 56.4418 32.9959 176.0332 59 V 4.4791 7.5907 111.7282 58.9785 34.7423 174.9591 60 S 4.0264 8.1440 115.0935 60.1046 62.7082 174.0455 61 N 4.8700 7.5391 120.8248 49.4922 37.0676 173.3063 62 P 4.4872 0.0000 0.0000 65.9511 31.5106 177.9311 63 E 3.9510 7.8540 118.6457 59.1427 29.1329 178.7423 64 I 3.7250 7.4971 112.4746 63.5981 37.8495 177.1319 65 Y 4.2228 7.7979 117.3817 57.7330 37.9201 175.5200 66 V 3.8295 6.9358 120.7355 64.3430 31.9274 176.2664 67 G 4.0229 9.1255 116.0660 45.2287 0.0000 173.0402 68 E 4.6092 8.1382 119.9312 55.0458 31.6147 175.7724 69 V 4.2496 8.3588 122.8553 62.7931 32.4587 175.1205 70 L 5.1406 8.5472 126.6346 53.2792 45.3957 174.9769 71 Y 5.2212 9.2433 118.0804 56.3555 42.8164 174.4623 72 V 4.6068 9.7580 122.6714 62.1004 33.4718 174.1501 73 D 5.0846 9.1793 128.3170 53.1175 42.1904 174.7625 74 E 5.0569 8.4143 128.3265 55.7024 32.5006 176.1060 75 R 4.1420 8.3842 120.0230 57.8680 29.9688 175.5717 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 4.59 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 2 K 8.90 4.38 0.00 1.77 1.76 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 1.05 7.81 3 R 9.66 3.96 0.00 2.09 1.88 0.00 3.34 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 4 L 9.86 4.67 0.00 1.69 1.57 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.12 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 6 K 7.80 4.52 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.39 7.81 7 V 8.24 3.88 2.38 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 1.15 0.00 0.00 1.03 0.00 0.00 8 L 9.17 4.14 0.00 1.35 1.71 0.98 0.95 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 9 H 7.45 4.52 0.00 3.27 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.21 5.11 0.00 3.02 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 11 A 8.78 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.61 3.53 0.00 1.69 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.39 7.81 13 Q 7.86 4.17 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.23 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 14 G 8.91 3.63 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 0.00 0.00 0.00 15 F 7.46 5.12 0.00 3.00 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 16 L 9.34 4.86 0.00 1.78 1.67 0.84 0.85 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 17 I 8.76 5.08 1.81 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.18 1.09 0.00 0.00 18 V 8.55 4.73 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 0.91 0.00 0.00 0.95 0.00 0.00 19 R 8.52 4.44 0.00 1.55 1.61 0.00 2.22 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.00 20 T 8.52 4.81 4.05 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 1.01 0.00 0.00 21 N 8.93 5.16 0.00 2.83 2.92 0.00 0.00 5.69 8.88 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 22 W 7.63 5.13 0.00 3.53 2.98 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 0.00 23 V 8.34 3.80 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 0.82 0.00 0.00 0.91 0.00 0.00 24 P 0.00 4.39 0.00 1.92 1.00 0.00 3.34 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 25 S 8.97 4.81 0.00 4.29 3.83 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 0.00 0.00 0.00 26 L 8.21 4.00 0.00 1.65 1.63 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 N 9.50 4.51 0.00 2.89 3.03 0.00 0.00 7.06 6.90 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 28 D 7.69 4.73 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 29 R 8.72 4.77 0.00 1.91 2.16 0.00 3.06 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 30 V 9.26 4.95 2.03 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 1.07 0.00 0.00 0.95 0.00 0.00 31 V 9.16 5.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.11 0.00 0.00 32 D 8.60 5.32 0.00 3.04 3.04 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 33 K 9.14 3.83 0.00 1.89 2.20 0.00 1.58 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.54 7.81 34 R 8.03 4.52 0.00 2.10 1.98 0.00 3.35 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 35 L 7.83 3.73 0.00 1.75 1.73 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.78 4.23 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 37 F 8.94 4.79 0.00 2.94 3.01 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 0.00 0.00 0.00 38 V 7.94 3.68 1.66 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 0.24 0.00 0.00 0.22 0.00 0.00 39 G 6.14 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.69 5.18 1.95 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.12 0.97 0.00 0.00 41 V 8.75 4.15 2.29 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 0.94 0.00 0.00 0.90 0.00 0.00 42 K 8.89 4.44 0.00 1.84 1.92 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.49 7.81 43 D 7.62 4.60 0.00 2.54 2.36 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 44 V 8.36 4.97 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 0.78 0.00 0.00 0.85 0.00 0.00 45 F 8.82 4.68 0.00 3.09 3.06 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 46 G 9.05 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 47 P 0.00 4.39 0.00 2.22 2.22 0.00 3.84 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 2.18 1.97 0.00 48 V 8.59 3.40 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 0.94 0.00 0.00 49 K 8.16 4.10 0.00 1.88 1.97 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.43 7.81 50 M 7.27 4.90 0.00 1.61 1.93 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 2.45 2.38 0.00 51 P 0.00 4.62 0.00 1.92 2.16 0.00 3.73 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 1.90 1.86 0.00 52 Y 8.77 4.69 0.00 1.43 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 0.00 0.00 0.00 53 V 8.33 4.65 1.95 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 0.90 0.00 0.00 0.64 0.00 0.00 54 A 9.16 5.15 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.99 4.80 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.86 0.00 0.00 56 K 9.08 4.49 0.00 2.00 1.75 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.13 7.81 57 P 0.00 4.67 0.00 2.02 1.96 0.00 3.84 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 58 K 8.93 4.70 0.00 1.41 1.93 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.29 1.70 7.81 59 V 7.59 4.48 2.15 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 0.70 0.00 0.00 0.96 0.00 0.00 60 S 8.14 4.03 0.00 3.83 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 61 N 7.54 4.87 0.00 3.09 2.87 0.00 0.00 5.74 7.76 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 62 P 0.00 4.49 0.00 1.83 2.18 0.00 3.57 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.67 0.00 63 E 7.85 3.95 0.00 2.01 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 2.38 2.30 0.00 64 I 7.50 3.73 1.60 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 -0.23 0.86 0.00 0.00 65 Y 7.80 4.22 0.00 3.27 3.02 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 66 V 6.94 3.83 2.17 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 0.85 0.00 0.00 1.07 0.00 0.00 67 G 9.13 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 68 E 8.14 4.61 0.00 2.20 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 2.28 2.34 0.00 69 V 8.36 4.25 2.11 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 0.25 0.00 0.00 0.92 0.00 0.00 70 L 8.55 5.14 0.00 1.57 1.46 1.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 9.24 5.22 0.00 2.89 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 72 V 9.76 4.61 2.46 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 1.27 0.00 0.00 1.11 0.00 0.00 73 D 9.18 5.08 0.00 2.75 2.66 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 0.00 0.00 0.00 0.00 74 E 8.41 5.06 0.00 1.97 1.90 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 2.28 2.40 0.00 75 R 8.38 4.14 0.00 1.73 1.73 0.00 3.43 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00