NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9016 8.3544 109.7377 45.2837 0.0000 173.0532 2 S 4.1276 8.3648 113.3340 58.0069 62.8660 171.3199 3 H 4.6619 8.2178 122.4465 55.2107 33.4291 172.1952 4 M 4.2865 7.9557 121.7165 55.1321 32.7933 174.8207 5 A 4.8523 8.0742 124.5657 50.7500 22.6159 175.2006 6 E 4.7635 8.2578 117.5627 54.0873 33.8188 174.8845 7 P 4.7031 0.0000 0.0000 62.5980 29.5430 174.3424 8 Q 4.1854 6.8540 121.0996 57.8265 31.6735 174.7470 9 R 4.1652 7.9847 128.8118 57.2236 29.4865 174.7081 10 H 5.1477 9.1311 121.6516 53.5851 33.3222 173.1347 11 K 4.8878 8.3907 118.2769 54.9813 34.2978 175.9488 12 I 3.8930 8.5882 126.5476 59.9367 37.2855 174.6073 13 L 4.4200 8.2765 129.0351 55.2413 42.0384 174.5663 14 C 5.0148 8.8693 129.9616 57.5064 34.8984 172.3911 15 V 5.0050 8.2045 109.6919 59.7146 35.3163 174.9962 16 C 4.7654 9.0753 123.8116 58.4310 32.0172 174.4331 17 C 4.1900 8.9852 126.6274 61.6484 31.5234 174.2051 18 K 4.2943 7.8980 117.2413 57.5653 33.2724 176.5913 19 C 4.6259 7.5402 111.4317 56.5359 30.7639 173.4649 20 D 4.5283 8.3684 118.4489 55.1340 40.1948 173.2130 21 G 4.0789 7.4218 102.6606 44.8777 0.0000 173.9907 22 R 4.6053 8.6597 123.4405 56.3384 31.1158 175.6855 23 I 4.5530 8.8014 126.7063 59.2398 40.6788 174.2805 24 E 4.1974 8.9353 128.4882 56.2724 29.9051 176.4869 25 L 4.0810 8.6239 129.6395 53.5906 41.3420 174.8446 26 T 4.5414 8.1758 117.8115 63.6265 69.0276 173.6723 27 V 4.2492 8.5817 120.9957 59.5124 34.2144 175.4494 28 E 5.0539 8.8292 127.7833 54.9240 28.3450 173.9382 29 S 4.6952 9.0468 118.8893 56.2558 67.5619 174.2179 30 S 4.4745 9.1872 119.7732 57.8894 63.6285 175.0178 31 A 3.9692 8.8996 125.5560 55.2450 17.9210 179.1837 32 E 4.2978 8.0229 115.4096 57.2792 30.2257 177.4612 33 D 4.3191 7.9805 118.0227 57.3245 41.3901 177.4347 34 L 3.9629 8.6256 121.3221 58.1208 42.0255 178.7778 35 R 3.8607 8.0429 118.4742 59.8555 30.0248 178.2855 36 T 3.9009 8.0997 115.8692 66.8154 68.5739 176.6023 37 L 4.1315 8.5280 121.7080 58.8251 40.3236 178.9190 38 Q 4.2821 8.6937 120.7573 58.8268 28.9027 177.9830 39 Q 4.0507 8.3961 119.7779 58.8245 28.6720 178.3894 40 L 4.0884 8.0692 120.1520 57.5968 41.3077 179.5091 41 F 4.4896 8.3496 119.1253 60.2737 38.7569 177.7847 42 L 4.1993 8.1915 117.1848 58.1231 41.3838 178.9202 43 S 4.2836 8.4773 113.9362 60.4287 62.3964 174.3763 44 T 4.6126 7.6866 109.2911 62.3516 73.7045 174.4706 45 L 4.0754 8.3711 125.4302 54.7537 43.0842 176.3231 46 S 5.2677 8.4019 119.2985 56.5788 66.3354 172.3684 47 F 4.8356 8.9277 121.3791 56.3020 42.5434 174.8307 48 V 4.5232 7.3686 122.2584 58.8141 32.9409 175.6122 49 C 4.5401 8.7742 121.1402 57.9634 31.2862 172.8263 50 P 4.3299 0.0000 0.0000 65.8392 30.7832 178.0700 51 W 4.3515 8.4585 128.2878 60.9233 30.5244 177.4680 52 C 3.3062 7.5110 113.4590 60.8335 28.8930 175.5578 53 A 3.8877 8.0160 123.1019 55.2011 17.9857 179.4668 54 T 4.0146 7.8172 113.5297 66.7681 68.6312 176.6024 55 N 4.3808 8.2451 117.6488 55.1833 38.6802 174.9631 56 Q 3.5329 8.1029 125.0127 56.4869 30.7451 173.0848 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 G 8.35 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 2 S 8.36 4.13 0.00 3.93 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 3 H 8.22 4.66 0.00 3.11 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.96 4.29 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 5 A 8.07 4.85 1.21 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 0.00 0.00 0.00 6 E 8.26 4.76 0.00 1.90 1.79 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 2.20 2.28 0.00 7 P 0.00 4.70 0.00 2.29 2.27 0.00 3.64 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 2.09 1.97 0.00 8 Q 6.85 4.19 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.11 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 9 R 7.98 4.17 0.00 1.83 1.86 0.00 3.39 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 10 H 9.13 5.15 0.00 3.22 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.39 4.89 0.00 1.55 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.44 7.81 12 I 8.59 3.89 1.66 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 1.00 0.54 0.54 0.00 0.00 13 L 8.28 4.42 0.00 1.61 1.58 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.87 5.01 0.00 2.76 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 15 V 8.20 5.01 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 0.76 0.00 0.00 0.97 0.00 0.00 16 C 9.08 4.77 0.00 3.02 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.99 4.19 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.29 0.00 1.81 1.85 0.00 1.21 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.36 7.81 19 C 7.54 4.63 0.00 2.97 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 20 D 8.37 4.53 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.42 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.66 4.61 0.00 1.87 1.89 0.00 3.37 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 23 I 8.80 4.55 1.86 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 0.88 0.00 0.00 24 E 8.94 4.20 0.00 1.95 1.87 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 2.24 2.31 0.00 25 L 8.62 4.08 0.00 1.52 1.28 0.90 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.18 4.54 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 1.24 0.00 0.00 27 V 8.58 4.25 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 0.94 0.00 0.00 0.96 0.00 0.00 28 E 8.83 5.05 0.00 1.97 1.87 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 2.17 2.31 0.00 29 S 9.05 4.70 0.00 3.73 3.73 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 30 S 9.19 4.47 0.00 3.90 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 A 8.90 3.97 1.30 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 0.00 0.00 0.00 32 E 8.02 4.30 0.00 2.05 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 2.32 2.35 0.00 33 D 7.98 4.32 0.00 2.77 2.79 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 34 L 8.63 3.96 0.00 1.77 1.86 0.95 1.01 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 35 R 8.04 3.86 0.00 2.07 2.05 0.00 3.17 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 36 T 8.10 3.90 4.44 0.00 0.00 0.00 0.00 0.00 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 37 L 8.53 4.13 0.00 1.94 2.13 1.21 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.69 4.28 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 39 Q 8.40 4.05 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 40 L 8.07 4.09 0.00 1.86 1.69 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.35 4.49 0.00 3.17 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 42 L 8.19 4.20 0.00 1.81 1.78 0.98 1.24 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 43 S 8.48 4.28 0.00 3.93 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 44 T 7.69 4.61 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 1.20 0.00 0.00 45 L 8.37 4.08 0.00 1.52 1.17 0.70 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.40 5.27 0.00 3.97 3.89 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 47 F 8.93 4.84 0.00 3.44 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 48 V 7.37 4.52 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 0.78 0.00 0.00 0.86 0.00 0.00 49 C 8.77 4.54 0.00 3.38 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.39 2.46 0.00 3.92 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 51 W 8.46 4.35 0.00 3.45 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 52 C 7.51 3.31 0.00 2.55 2.24 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 53 A 8.02 3.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.01 4.44 0.00 0.00 0.00 0.00 0.00 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 55 N 8.25 4.38 0.00 2.65 2.85 0.00 0.00 7.36 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 56 Q 8.10 3.53 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00