NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4504 0.0000 0.0000 62.9209 33.4405 174.4516 2 M 4.9014 8.3936 119.3293 52.8203 35.5164 172.8252 3 L 4.7523 9.7375 128.3056 53.5883 45.8015 174.0942 4 E 5.0404 8.9645 126.0066 54.7124 31.4935 175.6071 5 V 4.4385 8.6900 124.1003 60.9736 34.6683 174.1118 6 F 5.2018 8.9022 125.3977 55.9144 41.0229 173.7713 7 Y 4.7363 9.0289 124.9894 55.8387 42.0221 174.2020 8 S 4.5902 6.9298 118.9762 56.9225 65.4151 173.0202 9 G 4.0277 8.1395 112.8757 45.4617 0.0000 173.7960 10 D 4.0713 9.0203 119.4104 56.2283 40.7878 176.9810 11 R 4.4854 7.3435 114.9558 52.7540 29.5582 173.0223 12 P 4.2573 0.0000 0.0000 62.2998 31.5702 174.8982 13 P 4.1014 0.0000 0.0000 62.5713 31.6804 175.8590 14 D 4.5904 8.3697 121.2107 52.5876 40.6029 177.0362 15 R 3.9666 8.4894 118.5120 59.7474 29.8520 178.1632 16 T 4.2217 7.8988 116.4669 66.2252 68.5320 176.4713 17 R 3.9600 8.3493 119.6943 59.1602 29.9939 179.3444 18 K 4.0997 7.7395 116.9694 59.3308 31.9462 179.3668 19 Q 3.9955 8.6148 118.6223 58.9306 28.6627 178.7921 20 A 4.0230 7.9724 121.6336 55.2538 18.3608 179.5477 21 F 4.0731 8.2884 118.7353 61.0812 39.4938 177.0259 22 A 3.8462 8.4943 120.7414 55.4176 18.2042 179.5426 23 A 3.9008 7.9944 118.8600 55.1998 18.3449 179.7320 24 E 3.8207 8.2302 116.8871 59.4636 29.5436 179.2555 25 A 3.8890 7.6834 121.0290 55.3674 18.3164 179.9366 26 S 4.0624 8.1620 113.2951 61.7417 62.8767 176.8480 27 A 4.0610 8.1261 123.4458 54.9206 17.9690 179.8676 28 I 3.5989 8.1308 118.9524 64.6566 37.2339 178.6193 29 F 3.9624 8.2747 118.6621 60.4803 38.7896 177.6111 30 Q 4.2863 8.1889 120.6438 58.7101 28.6800 178.2260 31 R 3.9099 7.9829 118.8273 59.1105 30.1883 178.3410 32 V 3.8165 7.9629 117.7181 64.9948 31.8083 176.6916 33 I 4.2905 7.6418 107.9324 60.2709 37.8824 176.1514 34 G 3.9031 8.1954 108.2833 45.9384 0.0000 174.0008 35 T 3.9481 7.8019 117.2887 62.7604 68.8598 172.3064 36 P 4.5548 0.0000 0.0000 61.2619 32.1685 174.2710 37 P 4.2300 0.0000 0.0000 64.3785 31.5455 176.8102 38 G 3.9479 9.0133 108.8927 45.2242 0.0000 173.8095 39 R 4.3402 7.1448 117.7344 56.2094 31.6776 175.9307 40 L 3.7315 7.7154 119.7201 55.6037 42.7760 176.8260 41 Q 4.3179 8.8217 125.8659 54.7778 29.1419 173.7478 42 L 4.9417 8.1768 125.9023 53.4312 44.2222 175.7553 43 I 4.4826 8.5502 125.8820 59.9392 40.9244 173.9809 44 I 4.6369 8.3750 128.3156 59.7233 38.8598 175.2789 45 Q 4.4988 9.0939 126.5147 54.1695 31.1564 174.8017 46 I 4.8317 8.4956 126.0527 60.0414 38.0183 175.3977 47 V 4.4401 8.6618 128.8601 59.5690 32.6774 176.5756 48 S 4.3024 8.7157 120.2962 57.4833 63.7406 173.5015 49 P 4.1848 0.0000 0.0000 65.6251 31.2119 177.8860 50 E 4.2427 7.6182 114.4899 57.6584 29.6688 176.9117 51 N 4.8710 8.2310 116.9363 53.2986 39.0666 173.8326 52 T 4.6984 7.4295 115.1172 60.7413 71.9894 174.6507 53 L 4.0195 8.3255 122.1368 57.9508 41.7437 177.9205 54 A 4.2276 7.9143 119.6717 53.5908 18.1469 179.2259 55 V 3.5999 7.5466 117.4671 64.4094 31.3669 178.1625 56 I 4.0480 7.1719 119.1238 63.0920 37.8006 175.6978 57 D 4.4803 7.5715 118.7765 52.3986 41.4190 172.9530 58 L 4.2755 8.2278 122.4823 53.3175 41.2830 176.9504 59 D 4.6408 8.5420 122.7197 54.4929 40.5960 177.4744 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 4.45 0.00 1.84 2.28 0.00 3.49 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.92 0.00 2 M 8.39 4.90 0.00 2.07 1.89 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 2.44 2.60 0.00 3 L 9.74 4.75 0.00 1.65 1.48 1.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.96 5.04 0.00 1.95 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 2.16 2.28 0.00 5 V 8.69 4.44 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 0.83 0.00 0.00 0.97 0.00 0.00 6 F 8.90 5.20 0.00 2.91 2.94 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 7 Y 9.03 4.74 0.00 3.06 2.75 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 0.00 0.00 0.00 8 S 6.93 4.59 0.00 3.78 3.46 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 0.00 0.00 0.00 0.00 9 G 8.14 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.02 4.07 0.00 2.71 2.78 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 11 R 7.34 4.49 0.00 1.81 1.96 0.00 3.20 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 12 P 0.00 4.26 0.00 2.19 2.17 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 13 P 0.00 4.10 0.00 2.01 1.81 0.00 3.59 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.24 0.00 14 D 8.37 4.59 0.00 2.86 2.84 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 0.00 0.00 0.00 15 R 8.49 3.97 0.00 1.89 1.96 0.00 3.19 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 16 T 7.90 4.22 4.39 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 1.21 0.00 0.00 17 R 8.35 3.96 0.00 1.94 1.92 0.00 3.03 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 18 K 7.74 4.10 0.00 2.02 1.87 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.41 7.81 19 Q 8.61 4.00 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 20 A 7.97 4.02 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 21 F 8.29 4.07 0.00 3.23 3.13 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 0.00 0.00 0.00 0.00 22 A 8.49 3.85 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 23 A 7.99 3.90 1.36 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 24 E 8.23 3.82 0.00 1.83 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 2.31 2.53 0.00 25 A 7.68 3.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.06 0.00 3.97 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 27 A 8.13 4.06 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 28 I 8.13 3.60 1.99 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 1.46 0.72 0.68 0.00 0.00 29 F 8.27 3.96 0.00 3.05 3.09 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 0.00 0.00 0.00 30 Q 8.19 4.29 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 31 R 7.98 3.91 0.00 1.83 2.07 0.00 3.29 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 V 7.96 3.82 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 0.83 0.00 0.00 0.85 0.00 0.00 33 I 7.64 4.29 1.91 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.90 0.00 0.00 34 G 8.20 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 0.00 0.00 0.00 35 T 7.80 3.95 4.34 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 1.16 0.00 0.00 36 P 0.00 4.55 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 37 P 0.00 4.23 0.00 2.16 2.05 0.00 3.74 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 1.98 1.96 0.00 38 G 9.01 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 39 R 7.14 4.34 0.00 1.75 1.88 0.00 3.30 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 40 L 7.72 3.73 0.00 1.48 1.39 0.74 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.82 4.32 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 42 L 8.18 4.94 0.00 1.58 1.52 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.55 4.48 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.83 0.00 0.00 44 I 8.38 4.64 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.84 0.00 0.00 45 Q 9.09 4.50 0.00 1.72 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 1.89 1.51 0.00 46 I 8.50 4.83 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.01 0.00 0.00 47 V 8.66 4.44 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 0.92 0.00 0.00 0.96 0.00 0.00 48 S 8.72 4.30 0.00 4.04 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 49 P 0.00 4.18 0.00 2.19 2.13 0.00 3.60 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 2.12 2.07 0.00 50 E 7.62 4.24 0.00 2.27 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 0.00 2.31 2.28 0.00 51 N 8.23 4.87 0.00 2.89 2.84 0.00 0.00 6.71 7.92 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 52 T 7.43 4.70 4.30 0.00 0.00 0.00 0.00 0.00 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 53 L 8.33 4.02 0.00 1.72 1.63 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.91 4.23 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.55 3.60 2.18 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 0.78 0.00 0.00 0.98 0.00 0.00 56 I 7.17 4.05 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 0.52 0.90 0.00 0.00 57 D 7.57 4.48 0.00 2.50 2.50 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 58 L 8.23 4.28 0.00 1.67 1.63 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.54 4.64 0.00 2.64 2.60 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