NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3142 8.4293 120.2263 55.9315 30.6694 175.6424 5 P 4.4873 0.0000 0.0000 62.3081 32.4626 175.7370 6 C 4.7882 6.9490 118.4127 57.5096 33.8026 172.3828 7 V 4.3017 7.5445 127.3971 60.8658 35.6376 175.7034 8 E 4.0939 7.9970 120.7868 58.9707 29.3980 179.3177 9 S 4.2418 8.0427 113.8733 61.4763 63.1182 176.4449 10 L 4.0760 7.8705 122.1124 57.3483 41.2660 179.4406 11 V 3.7263 7.5590 117.3552 65.9174 31.0611 178.3253 12 S 4.2169 7.8239 112.8802 61.7190 62.4664 176.5278 13 Q 4.1370 8.1089 121.5117 58.6904 28.5296 178.0967 14 Y 4.4544 8.2176 120.7263 60.6740 38.7385 177.5747 15 F 4.1101 8.2290 121.7235 61.1994 39.4304 177.1947 16 Q 3.8585 7.8760 116.6456 59.2687 28.5315 178.8144 17 T 4.0509 7.6267 115.9951 66.5048 68.1921 176.8783 18 V 3.4204 7.0688 119.2214 66.3106 31.3794 178.0075 19 T 3.8841 7.3364 115.2035 66.5105 68.1888 176.6048 20 D 4.3954 8.0350 121.0245 57.4163 40.2696 178.1230 21 Y 4.3821 7.6109 121.6765 60.1145 38.7967 178.3858 22 G 3.6427 7.9050 105.3764 47.4390 0.0000 175.9161 23 K 4.0227 7.7526 120.5059 59.3529 31.4925 179.1149 24 D 4.5297 7.5378 119.6545 56.7782 40.8164 178.6992 25 L 4.0090 7.5152 118.8063 57.4171 41.8795 178.7950 26 M 4.0451 7.9317 118.3325 58.5256 31.6079 178.1284 27 E 4.0094 7.9361 119.1216 58.8987 29.4041 178.4074 28 K 4.3933 7.4976 116.5367 56.2111 32.3169 178.1270 29 V 4.0291 7.2629 118.9008 64.9453 32.1848 177.5356 30 K 4.5832 8.0885 118.6342 57.8171 31.7133 179.4245 31 S 4.0579 7.8337 115.6286 60.8699 62.6556 174.7470 32 P 4.3320 0.0000 0.0000 64.8515 31.0107 177.4575 33 E 4.0888 7.7669 117.7337 57.6094 29.2188 178.0348 34 L 4.7023 7.1604 115.5488 55.7136 42.9298 175.9744 35 Q 4.0317 7.8981 120.5444 56.3868 29.8029 176.0056 36 A 4.3936 8.1800 126.1260 51.6151 17.9824 178.6550 37 E 3.9075 8.1134 124.6714 58.3707 30.3264 177.0520 38 A 4.7337 7.7885 119.0158 52.1168 20.8730 178.2184 39 K 4.2711 8.0532 115.6602 59.2016 32.6393 179.4557 40 S 4.4188 7.6558 115.1900 60.5813 62.8524 175.9819 41 Y 3.7988 7.6148 122.6031 60.3363 38.3807 177.3978 42 F 4.5605 7.4635 114.2272 59.0254 37.9387 176.7173 43 E 4.2051 7.3676 119.1852 58.8228 29.6368 178.5439 44 K 4.1957 8.0534 120.1297 58.5011 32.0112 179.5380 45 S 4.1000 8.0227 114.8794 61.3004 62.9914 176.7275 46 K 4.1272 7.8396 121.4331 58.7924 31.3700 178.1661 47 E 4.3623 7.7699 116.7255 56.6189 28.9463 177.3843 48 Q 4.3118 7.5114 118.1987 57.3579 30.5876 177.7194 49 L 4.0151 7.8327 119.7020 58.0108 41.6733 179.6969 50 T 3.9040 7.7329 115.1669 66.3489 68.4633 175.0529 51 P 4.2543 0.0000 0.0000 65.3977 31.1229 178.6142 52 L 4.0803 7.4856 117.5421 58.4928 40.4847 179.1676 53 I 3.9526 7.4065 119.6967 64.0053 37.3104 177.8309 54 K 4.2153 8.2063 117.6610 57.6070 32.1227 178.9858 55 K 3.9949 7.9838 120.7093 59.0207 32.1170 178.2206 56 A 4.3283 7.8709 120.9220 54.2890 17.9841 179.6283 57 G 3.5596 7.8889 104.0229 47.0663 0.0000 174.8317 58 T 4.5613 7.4080 113.3396 61.8596 67.9451 174.3313 59 E 3.8851 7.5406 116.6971 58.0956 31.6078 177.5908 60 L 4.1029 8.2262 118.3346 58.2109 42.1314 180.0748 61 V 3.6215 7.6662 117.4837 66.1813 31.0208 177.6939 62 N 4.4198 7.9163 115.6714 56.1556 38.2014 177.1929 63 F 5.1182 7.9722 118.4829 60.1459 39.0807 177.2089 64 L 4.4137 8.0542 118.7056 57.0326 41.5580 179.1219 65 S 4.1099 8.4285 113.6872 61.4803 62.2987 175.7598 66 Y 4.5610 8.3738 121.6360 59.2324 37.8129 177.6556 67 F 3.7245 7.6526 122.2215 60.5372 37.8282 177.2184 68 V 3.6891 7.4245 119.0979 64.6684 30.7375 177.7652 69 E 4.0418 7.7407 118.8929 58.0475 29.5092 178.8217 70 L 4.5238 7.5154 116.7183 55.0833 41.2239 177.1200 71 G 2.7012 7.4250 106.3985 47.9645 0.0000 174.8857 72 T 3.9220 7.2482 117.0818 65.5697 68.9310 177.2985 73 Q 4.2628 7.2258 118.9779 57.8901 28.9261 175.7605 74 P 4.2901 0.0000 0.0000 64.7207 31.6294 175.9996 75 A 4.4607 6.8050 122.4891 51.9200 19.1909 177.3913 76 T 3.9580 7.3075 110.1138 62.9919 69.5522 172.4117 77 Q 4.1272 8.8175 129.4992 56.3057 29.1122 175.2280 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 4 E 8.43 4.31 0.00 1.97 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 2.21 2.31 0.00 5 P 0.00 4.49 0.00 2.25 2.14 0.00 3.79 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 1.94 2.01 0.00 6 C 6.95 4.79 0.00 2.90 2.82 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 7 V 7.54 4.30 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 0.68 0.00 0.00 0.93 0.00 0.00 8 E 8.00 4.09 0.00 2.00 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 2.40 2.31 0.00 9 S 8.04 4.24 0.00 4.06 4.14 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 10 L 7.87 4.08 0.00 1.87 1.76 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.56 3.73 2.23 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 1.07 0.00 0.00 1.05 0.00 0.00 12 S 7.82 4.22 0.00 4.19 4.14 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 13 Q 8.11 4.14 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 14 Y 8.22 4.45 0.00 3.12 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 15 F 8.23 4.11 0.00 3.16 3.22 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 16 Q 7.88 3.86 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 17 T 7.63 4.05 4.47 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 1.29 0.00 0.00 18 V 7.07 3.42 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 0.65 0.00 0.00 0.48 0.00 0.00 19 T 7.34 3.88 4.15 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 1.09 0.00 0.00 20 D 8.03 4.40 0.00 2.88 2.72 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 21 Y 7.61 4.38 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 22 G 7.90 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.02 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.66 7.81 24 D 7.54 4.53 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 4.01 0.00 1.54 1.60 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.93 4.05 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 27 E 7.94 4.01 0.00 2.09 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 0.00 2.30 2.56 0.00 28 K 7.50 4.39 0.00 1.85 1.81 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.24 7.81 29 V 7.26 4.03 2.21 0.00 0.00 0.00 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 0.95 0.00 0.00 30 K 8.09 4.58 0.00 1.82 1.82 0.00 1.98 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.33 7.81 31 S 7.83 4.06 0.00 3.98 4.15 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 32 P 0.00 4.33 0.00 2.28 2.34 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 33 E 7.77 4.09 0.00 2.01 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 0.00 2.32 2.45 0.00 34 L 7.16 4.70 0.00 1.50 1.69 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.90 4.03 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.60 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 36 A 8.18 4.39 1.23 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 0.00 0.00 37 E 8.11 3.91 0.00 1.94 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 2.29 2.31 0.00 38 A 7.79 4.73 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 39 K 8.05 4.27 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.51 7.81 40 S 7.66 4.42 0.00 3.96 4.09 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 41 Y 7.61 3.80 0.00 3.15 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 42 F 7.46 4.56 0.00 3.36 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.37 4.21 0.00 1.97 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 2.14 1.60 0.00 44 K 8.05 4.20 0.00 1.53 1.54 0.00 1.42 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.38 7.81 45 S 8.02 4.10 0.00 4.10 4.16 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 46 K 7.84 4.13 0.00 2.02 1.91 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.51 1.75 7.81 47 E 7.77 4.36 0.00 2.09 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 2.51 0.00 48 Q 7.51 4.31 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 49 L 7.83 4.02 0.00 1.71 1.71 0.94 0.75 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 50 T 7.73 3.90 4.32 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 1.21 0.00 0.00 51 P 0.00 4.25 0.00 2.13 2.08 0.00 3.66 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 2.25 2.12 0.00 52 L 7.49 4.08 0.00 1.77 1.79 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.41 3.95 2.02 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 1.76 0.91 0.91 0.00 0.00 54 K 8.21 4.22 0.00 1.92 1.82 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 55 K 7.98 3.99 0.00 2.07 1.92 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 56 A 7.87 4.33 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.89 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.41 4.56 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 1.23 0.00 0.00 59 E 7.54 3.89 0.00 1.91 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.44 0.00 60 L 8.23 4.10 0.00 1.81 1.77 0.95 0.84 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 61 V 7.67 3.62 2.25 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 1.08 0.00 0.00 0.97 0.00 0.00 62 N 7.92 4.42 0.00 2.70 2.73 0.00 0.00 7.15 8.13 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 63 F 7.97 5.12 0.00 3.25 3.12 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 64 L 8.05 4.41 0.00 1.95 1.80 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.43 4.11 0.00 4.06 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 66 Y 8.37 4.56 0.00 3.41 3.47 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 67 F 7.65 3.72 0.00 3.00 3.17 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 0.00 68 V 7.42 3.69 2.20 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 1.26 0.00 0.00 1.03 0.00 0.00 69 E 7.74 4.04 0.00 2.14 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 0.00 2.30 2.31 0.00 70 L 7.52 4.52 0.00 1.67 1.69 0.92 0.46 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 71 G 7.42 2.70 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 72 T 7.25 3.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 73 Q 7.23 4.26 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 74 P 0.00 4.29 0.00 2.12 2.12 0.00 3.44 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 75 A 6.81 4.46 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 76 T 7.31 3.96 4.20 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 1.30 0.00 0.00 77 Q 8.82 4.13 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00