NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3238 0.0000 0.0000 62.1746 32.7981 174.3577 2 G 3.7194 7.6671 106.7517 44.0020 0.0000 170.3473 3 P 4.6215 0.0000 0.0000 62.8987 32.3925 176.0234 4 V 3.9742 7.6557 109.8311 62.5821 31.0614 175.6941 5 L 4.6481 7.6050 120.3042 52.1049 45.3143 173.0573 6 P 4.1738 0.0000 0.0000 61.7345 29.8920 176.0969 7 K 3.8235 8.4698 124.4104 59.5499 31.7899 177.5565 8 N 4.2665 8.0252 115.3870 56.1534 37.6263 176.8270 9 A 3.9633 7.9348 123.3233 54.4705 18.5682 179.3800 10 L 3.9754 8.0262 117.2082 58.0248 41.7704 179.5499 11 M 4.2205 8.0443 118.3002 57.9817 30.9630 177.8425 12 Q 3.9420 8.1146 120.8591 59.2489 29.1764 178.8643 13 L 4.0559 8.1748 120.3565 58.3859 40.4029 178.6070 14 N 4.2582 8.3899 117.8997 56.6902 38.9838 176.1648 15 E 4.0869 7.9983 118.4245 59.7739 29.7004 179.0984 16 I 4.1458 7.5878 118.4533 63.1955 37.9177 176.8282 17 K 4.4123 8.2978 119.9659 54.2786 33.8470 175.0244 18 P 4.6595 0.0000 0.0000 61.2646 30.9989 177.4852 19 G 4.1183 7.1985 98.2578 45.4307 0.0000 172.7587 20 L 4.5908 7.7847 117.8488 53.2679 44.2743 177.9270 21 Q 4.4627 8.2288 119.8479 54.6079 31.6471 173.9179 22 Y 5.1510 8.8330 121.9415 56.4703 40.1438 175.2197 23 M 4.8271 9.1077 122.8530 53.6800 36.0771 173.4335 24 L 5.0522 8.7110 127.6445 53.6253 43.7657 175.0869 25 L 4.9771 9.0549 127.2241 52.6659 44.6316 176.1760 26 S 4.5616 8.8695 118.4015 57.9693 64.0768 173.5150 27 Q 3.3553 8.1214 122.7509 56.2521 29.5885 176.3139 28 T 4.1840 7.9499 119.7883 62.8232 69.9948 172.0675 29 G 4.7288 8.1402 106.7696 44.3276 0.0000 171.5592 30 P 4.2194 0.0000 0.0000 62.6590 30.6332 179.5327 31 V 3.5887 7.8169 123.0508 63.5480 32.1145 172.2666 32 H 4.8344 8.1759 111.5958 54.9608 29.3007 174.1147 33 A 4.6329 7.3153 123.1062 49.8025 22.3239 173.8525 34 P 4.6541 0.0000 0.0000 62.8452 33.1869 175.2913 35 L 5.1951 8.8591 123.7621 53.9334 45.7536 174.6698 36 F 5.2920 9.7285 124.7161 55.7446 42.8667 174.5294 37 V 4.9659 8.6349 114.8670 59.9136 34.9581 174.4332 38 M 5.3325 9.0603 124.6254 53.5785 35.0119 174.8527 39 S 5.2272 9.0226 118.7383 56.8554 65.3228 173.2529 40 V 4.7196 8.9916 125.0588 59.5716 34.1530 173.9629 41 E 5.2374 8.7330 125.9628 54.5300 31.0445 176.3904 42 V 4.1398 8.0589 124.9122 61.4919 33.0775 175.1216 43 N 4.3049 7.9732 117.4017 53.3584 41.8967 173.0417 44 G 3.5043 7.7910 108.3029 45.8176 0.0000 173.7356 45 Q 4.6119 7.8128 118.6837 54.5588 32.2936 174.0797 46 V 4.9152 8.3466 114.3271 59.8809 34.0688 175.0824 47 F 4.7376 9.2873 123.5854 55.7732 41.6518 173.9719 48 E 5.1685 9.0004 123.5820 54.6830 31.3105 175.7652 49 G 4.2216 9.2018 111.4310 44.3338 0.0000 171.2115 50 S 5.3973 8.9027 118.8463 56.5854 64.9893 173.7098 51 G 4.4211 9.1493 110.4056 43.5657 0.0000 171.5455 52 P 5.3539 0.0000 0.0000 63.5304 31.5622 176.5356 53 T 3.9806 7.3878 112.8629 59.1347 71.7089 173.9042 54 K 3.6094 6.7919 126.1722 60.2858 32.1009 179.4328 55 K 3.8756 7.6508 118.7846 58.7201 31.8949 178.8499 56 K 3.9815 7.8648 119.2621 58.6383 32.2252 178.4207 57 A 4.0134 8.1328 121.6358 55.0538 18.3136 179.5266 58 K 3.9633 8.1831 117.1797 60.1044 32.4159 178.6645 59 L 3.9323 7.6390 121.4533 58.2222 41.9866 178.3078 60 H 4.1703 8.5561 117.9670 59.5145 29.7066 176.5363 61 A 3.9829 8.3109 122.1734 55.5060 18.2247 179.4420 62 A 3.8510 8.5472 118.7506 55.1922 18.4534 179.0010 63 E 3.8053 8.6446 118.2028 59.5821 29.6850 178.8551 64 K 3.8517 8.3043 118.9851 59.5291 32.3114 178.3884 65 A 2.5800 8.0095 121.1309 54.9522 18.1469 179.6676 66 L 3.8848 7.6795 116.7803 57.6723 41.7644 179.6030 67 R 3.8726 8.1122 118.8490 59.5725 30.0357 178.2274 68 S 4.2293 8.5935 112.9715 61.7108 62.2187 176.0023 69 F 4.2865 8.0788 121.5933 61.0851 39.0957 176.5989 70 V 3.8024 7.9932 117.0559 64.6100 31.6304 176.3355 71 Q 4.1571 7.9555 115.5466 54.7580 31.9149 173.9234 72 F 3.8675 8.2051 114.9734 55.2174 39.1110 173.3851 73 P 4.7535 0.0000 0.0000 63.3492 31.1134 176.2021 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 P 0.00 4.32 0.00 2.19 2.07 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 2 G 7.67 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 0.00 0.00 0.00 3 P 0.00 4.62 0.00 2.21 2.27 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 4 V 7.66 3.97 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 0.80 0.00 0.00 0.91 0.00 0.00 5 L 7.61 4.65 0.00 1.57 1.44 0.88 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.17 0.00 2.15 2.01 0.00 3.56 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 7 K 8.47 3.82 0.00 1.80 1.71 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.38 7.81 8 N 8.03 4.27 0.00 2.95 3.06 0.00 0.00 5.87 7.25 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 9 A 7.93 3.96 1.35 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 10 L 8.03 3.98 0.00 1.97 1.73 0.96 0.71 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 11 M 8.04 4.22 0.00 2.37 2.40 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.46 0.00 12 Q 8.11 3.94 0.00 2.16 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 13 L 8.17 4.06 0.00 1.83 1.87 1.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.39 4.26 0.00 2.84 3.09 0.00 0.00 7.23 7.42 0.00 0.00 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 E 8.00 4.09 0.00 2.18 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 2.56 2.51 0.00 16 I 7.59 4.15 1.88 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 1.56 0.59 1.01 0.00 0.00 17 K 8.30 4.41 0.00 1.48 1.56 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.22 1.12 7.81 18 P 0.00 4.66 0.00 2.18 2.24 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 19 G 7.20 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.78 4.59 0.00 1.16 0.80 0.77 0.66 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 21 Q 8.23 4.46 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 22 Y 8.83 5.15 0.00 2.75 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 9.11 4.83 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 24 L 8.71 5.05 0.00 1.75 1.62 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.05 4.98 0.00 1.59 1.54 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.87 4.56 0.00 3.83 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 Q 8.12 3.36 0.00 1.17 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.43 0.00 0.00 0.00 0.00 0.00 1.83 2.15 0.00 28 T 7.95 4.18 4.17 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 1.23 0.00 0.00 29 G 8.14 4.73 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 30 P 0.00 4.22 0.00 2.07 2.08 0.00 3.82 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 2.05 2.05 0.00 31 V 7.82 3.59 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 0.83 0.00 0.00 0.94 0.00 0.00 32 H 8.18 4.83 0.00 3.29 3.36 0.00 5.57 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 33 A 7.32 4.63 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.65 0.00 2.50 2.05 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 35 L 8.86 5.20 0.00 1.63 1.42 0.96 1.39 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 36 F 9.73 5.29 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.63 4.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.00 0.00 0.00 38 M 9.06 5.33 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 39 S 9.02 5.23 0.00 3.91 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 40 V 8.99 4.72 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 0.96 0.00 0.00 0.09 0.00 0.00 41 E 8.73 5.24 0.00 1.98 1.84 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 0.00 2.27 2.35 0.00 42 V 8.06 4.14 1.78 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 0.72 0.00 0.00 0.34 0.00 0.00 43 N 7.97 4.30 0.00 2.54 2.99 0.00 0.00 7.13 8.07 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 44 G 7.79 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.81 4.61 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 46 V 8.35 4.92 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 0.81 0.00 0.00 0.91 0.00 0.00 47 F 9.29 4.74 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.00 5.17 0.00 1.84 1.88 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 2.26 2.30 0.00 49 G 9.20 4.22 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 0.00 50 S 8.90 5.40 0.00 3.94 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 51 G 9.15 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.35 0.00 2.25 2.23 0.00 3.38 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 53 T 7.39 3.98 4.11 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 1.14 0.00 0.00 54 K 6.79 3.61 0.00 1.87 1.62 0.00 1.38 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.07 1.34 7.81 55 K 7.65 3.88 0.00 1.69 1.80 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.33 7.81 56 K 7.86 3.98 0.00 1.78 1.88 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 57 A 8.13 4.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 3.96 0.00 2.17 2.16 0.00 1.05 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.36 1.57 7.81 59 L 7.64 3.93 0.00 1.70 1.96 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.56 4.17 0.00 3.40 3.49 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.31 3.98 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.55 3.85 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 3.81 0.00 2.09 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 0.00 2.32 2.49 0.00 64 K 8.30 3.85 0.00 1.96 2.07 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.65 7.81 65 A 8.01 2.58 0.92 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 66 L 7.68 3.88 0.00 1.62 1.73 0.69 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.11 3.87 0.00 1.88 2.18 0.00 3.42 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 68 S 8.59 4.23 0.00 4.10 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 69 F 8.08 4.29 0.00 2.93 3.20 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 0.00 70 V 7.99 3.80 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 0.93 0.00 0.00 1.09 0.00 0.00 71 Q 7.96 4.16 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.74 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 72 F 8.21 3.87 0.00 3.29 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 73 P 0.00 4.75 0.00 2.33 2.29 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00