NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.6158 8.1133 121.1211 56.3275 32.1090 173.7880 2 I 4.7632 9.1515 126.3974 59.3091 40.3282 172.6605 3 C 5.2212 9.7808 124.4955 54.7769 45.0347 173.3932 4 F 4.9592 9.0043 119.9660 57.5968 39.3110 175.3578 5 N 5.5880 9.2919 116.4300 52.0545 38.9760 174.1972 6 H 4.6295 8.5193 114.4383 55.1959 30.2366 174.2025 7 Q 4.4899 8.4397 121.4904 56.5633 31.0916 175.7578 8 S 3.3363 7.9650 121.3174 60.2807 63.1109 173.2411 9 S 4.6106 8.5924 123.9775 59.2364 62.4663 173.7192 10 Q 4.2525 7.6389 120.1623 54.5856 29.0892 174.3182 11 P 4.2585 0.0000 0.0000 62.6670 31.7902 176.8545 12 Q 3.6172 8.4240 121.7222 56.3892 29.4013 175.8901 13 T 4.9983 8.3415 111.1941 60.2746 72.7097 172.4689 14 T 5.1887 8.4546 111.6260 59.9815 72.4938 172.6950 15 K 4.6325 8.9400 122.4698 55.1065 36.1287 174.8438 16 T 4.7036 8.4182 123.2089 62.7360 69.5090 175.6549 17 C 4.7110 8.8673 124.9175 56.0400 42.4785 173.7397 18 S 4.4296 8.4793 115.4338 57.6817 63.0702 172.5401 19 P 4.5093 0.0000 0.0000 64.2054 31.4766 177.2660 20 G 3.9443 8.8852 110.6970 45.2752 0.0000 173.0627 21 E 4.1360 7.9704 121.4912 55.9479 29.7993 176.2813 22 S 4.6345 8.7198 119.5602 58.2194 64.4747 173.4299 23 S 5.0987 8.7140 118.1637 57.3256 65.9583 172.2813 24 C 5.6766 9.0746 118.3505 55.5427 38.8043 172.6406 25 Y 5.5285 8.5217 117.6263 55.6341 41.9655 173.4965 26 N 5.4493 9.5097 118.4715 51.9757 42.2576 173.0065 27 K 5.3267 9.5735 125.9244 54.7894 35.7341 175.0915 28 Q 5.2003 9.6365 125.2478 54.4644 33.0150 173.5709 29 W 5.4652 8.6004 121.2450 56.0065 32.1428 173.0307 30 S 5.2485 8.8883 115.9857 57.0318 65.2515 173.5745 31 D 4.9833 8.7328 121.3403 51.8443 42.2370 175.8191 32 F 4.4222 9.0628 112.8287 59.2993 37.8816 175.9480 33 R 4.1169 8.6864 119.7151 55.2708 31.2078 176.9726 34 G 3.7011 6.4899 103.9381 45.9208 0.0000 170.0966 35 T 4.6477 7.8501 117.2632 62.2609 69.9582 174.5478 36 I 4.2137 8.3043 127.2854 59.2311 40.4272 174.6803 37 I 4.8540 7.9222 126.2518 59.5259 40.1942 173.9778 38 E 5.0158 9.4013 128.7916 54.5027 32.4592 174.8425 39 R 4.7051 8.0664 123.4084 54.7000 34.9074 174.9466 40 G 4.1000 6.6211 106.0123 46.4112 0.0000 171.5599 41 C 4.8238 9.0215 117.0431 57.3949 41.5723 174.8419 42 G 3.8659 10.2122 109.5220 45.1380 0.0000 173.0493 43 C 4.8012 8.0524 116.7604 53.6307 43.7581 171.6445 44 P 4.4322 0.0000 0.0000 61.8483 31.8614 176.9697 45 T 4.0426 7.9277 115.3487 63.1211 68.9498 175.2000 46 V 3.7100 8.2078 118.5924 61.3365 32.2921 175.8474 47 K 4.5375 8.2498 124.0781 53.5852 34.0428 174.1931 48 P 4.3916 0.0000 0.0000 64.0608 31.6690 177.1886 49 G 3.9911 8.9325 110.3360 45.2775 0.0000 172.9380 50 I 4.5692 7.2440 120.3773 59.5711 39.1198 175.4639 51 K 4.4780 8.9576 126.4749 55.6028 33.4831 175.6713 52 L 5.3360 8.4889 125.7632 53.3894 45.5243 175.3597 53 S 4.7196 9.3040 119.4798 56.9187 65.6585 171.8486 54 C 5.7383 9.0344 124.0252 55.4865 44.0940 171.9485 55 C 5.1064 9.0955 115.3114 53.4156 45.2973 173.3203 56 E 5.0421 8.1524 115.6896 53.8611 29.5716 174.7643 57 S 4.6854 7.4401 113.2242 56.5969 67.7882 174.5159 58 E 3.8344 8.7572 121.4419 58.6168 29.8673 178.2441 59 V 3.0245 7.9708 117.2829 62.4324 29.4946 172.1488 60 C 4.6298 8.0059 113.7595 56.4507 42.7407 173.5345 61 N 4.8569 7.9385 117.7543 52.9269 37.7864 174.4326 62 N 4.2384 8.3406 122.7157 54.9626 39.0305 174.1655 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 R 8.11 4.62 0.00 1.95 1.96 0.00 3.19 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 2 I 9.15 4.76 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.75 0.00 0.00 3 C 9.78 5.22 0.00 2.74 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 4 F 9.00 4.96 0.00 3.09 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 5 N 9.29 5.59 0.00 2.66 2.81 0.00 0.00 6.95 7.52 0.00 0.00 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 H 8.52 4.63 0.00 3.30 3.39 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.44 4.49 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 5.81 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 8 S 7.96 3.34 0.00 3.87 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 9 S 8.59 4.61 0.00 3.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.64 4.25 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 11 P 0.00 4.26 0.00 2.01 1.97 0.00 3.67 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 2.01 2.10 0.00 12 Q 8.42 3.62 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 1.87 2.14 0.00 13 T 8.34 5.00 4.28 0.00 0.00 0.00 0.00 0.00 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 14 T 8.45 5.19 4.13 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 1.01 0.00 0.00 15 K 8.94 4.63 0.00 1.77 1.59 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.40 7.81 16 T 8.42 4.70 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 1.19 0.00 0.00 17 C 8.87 4.71 0.00 2.84 3.05 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 0.00 18 S 8.48 4.43 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.04 1.99 0.00 3.69 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 2.03 2.09 0.00 20 G 8.89 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 0.00 0.00 0.00 21 E 7.97 4.14 0.00 1.95 2.05 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 2.35 2.31 0.00 22 S 8.72 4.63 0.00 4.03 4.07 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 0.00 0.00 0.00 23 S 8.71 5.10 0.00 3.84 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 24 C 9.07 5.68 0.00 2.84 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 25 Y 8.52 5.53 0.00 3.08 3.23 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 0.00 26 N 9.51 5.45 0.00 2.77 2.73 0.00 0.00 7.32 7.58 0.00 0.00 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 K 9.57 5.33 0.00 2.09 2.07 0.00 1.65 0.00 0.00 1.42 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.38 7.81 28 Q 9.64 5.20 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 29 W 8.60 5.47 0.00 3.43 3.24 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 0.00 30 S 8.89 5.25 0.00 3.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.73 4.98 0.00 3.02 3.05 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 0.00 32 F 9.06 4.42 0.00 3.22 3.24 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 0.00 33 R 8.69 4.12 0.00 1.46 1.74 0.00 3.02 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 34 G 6.49 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.65 4.13 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 1.09 0.00 0.00 36 I 8.30 4.21 0.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.49 0.24 0.00 0.00 37 I 7.92 4.85 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.71 0.88 0.00 0.00 38 E 9.40 5.02 0.00 2.22 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 0.00 2.52 2.45 0.00 39 R 8.07 4.71 0.00 1.64 1.70 0.00 3.04 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 40 G 6.62 4.10 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 0.00 0.00 0.00 41 C 9.02 4.82 0.00 2.93 3.07 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 0.00 0.00 0.00 42 G 10.21 3.87 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 0.00 0.00 0.00 43 C 8.05 4.80 0.00 2.93 2.96 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 0.00 0.00 0.00 44 P 0.00 4.43 0.00 1.97 1.82 0.00 3.51 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 0.00 45 T 7.93 4.04 4.18 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 1.17 0.00 0.00 46 V 8.21 3.71 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 0.69 0.00 0.00 0.91 0.00 0.00 47 K 8.25 4.54 0.00 1.67 1.58 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.33 7.81 48 P 0.00 4.39 0.00 2.01 1.97 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 49 G 8.93 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 50 I 7.24 4.57 1.94 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 1.03 0.00 0.00 51 K 8.96 4.48 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.46 7.81 52 L 8.49 5.34 0.00 1.59 1.49 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.30 4.72 0.00 3.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 9.03 5.74 0.00 2.91 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 55 C 9.10 5.11 0.00 2.98 3.15 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 0.00 0.00 0.00 0.00 56 E 8.15 5.04 0.00 1.94 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 2.34 2.27 0.00 57 S 7.44 4.69 0.00 3.81 3.71 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 0.00 0.00 0.00 0.00 58 E 8.76 3.83 0.00 1.92 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 2.29 2.25 0.00 59 V 7.97 3.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.85 0.00 0.00 60 C 8.01 4.63 0.00 3.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.86 0.00 2.94 2.97 0.00 0.00 6.03 8.04 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 62 N 8.34 4.24 0.00 2.35 2.63 0.00 0.00 7.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00