NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3318 8.2644 123.5837 52.1512 18.8638 175.6191 3 R 4.2462 8.0643 119.9555 56.9612 31.4832 175.4392 4 K 3.9519 8.2468 120.7932 59.5619 32.7491 178.1546 5 A 4.0773 7.9950 120.1199 54.5950 18.2622 179.2247 6 L 4.1550 7.8611 117.6818 57.4686 41.8619 179.1206 7 I 3.8239 7.3802 111.9244 63.6888 37.7756 177.6687 8 E 4.0759 7.9280 120.9336 58.9240 29.4465 178.5015 9 K 4.0434 7.9911 119.0439 58.9933 31.9968 178.5659 10 A 3.7379 7.9126 120.3812 53.9407 18.3091 178.0341 11 K 4.2354 7.3196 114.1088 56.5055 32.8476 177.8935 12 R 3.8449 7.6387 119.9457 59.4917 30.6960 176.8488 13 T 3.4414 7.7659 111.2238 64.1888 65.7215 170.6419 14 P 4.2975 0.0000 0.0000 65.6835 32.7245 178.3416 15 K 3.8855 7.2685 120.7836 54.3893 33.2423 176.5606 16 F 4.3772 6.4027 118.9231 58.3916 39.5105 176.4406 17 K 4.1967 8.6842 120.4886 59.5592 32.7409 177.7969 18 V 4.2572 7.1319 120.4299 63.0631 31.2297 176.5234 19 R 4.7559 8.2830 114.9406 55.7112 34.0920 175.7675 20 A 4.2697 7.9172 122.3784 51.4894 17.8530 176.9432 21 Y 4.3840 7.6384 119.5638 56.9433 39.1129 176.6820 22 T 3.9777 8.3114 111.1338 62.2160 69.3797 174.0837 23 R 4.5795 8.1910 122.9330 55.2623 32.6688 174.2117 24 C 4.3164 8.7103 126.3149 60.1856 32.2621 174.5592 25 V 3.6457 8.3495 126.2552 65.6827 31.0337 177.2528 26 R 3.7954 7.5422 116.5482 58.9364 29.9746 176.3342 27 C 4.3162 8.2707 116.8869 57.8012 31.3031 173.9850 28 G 4.3839 7.9066 107.7952 47.0332 0.0000 174.0949 29 R 4.1298 7.5627 117.8405 55.8434 31.3114 176.6035 30 A 4.3346 8.5134 125.9200 53.8227 19.0385 176.9832 31 R 4.6378 7.2328 110.7430 55.3028 32.7954 174.8172 32 S 3.6957 8.5148 109.5357 59.4497 60.2610 172.3648 33 V 4.4506 7.1020 120.9997 61.7360 30.9232 175.3750 34 Y 4.2296 8.8109 126.5739 58.1014 38.4183 177.9777 35 R 4.0265 8.8278 123.3875 59.2396 30.7304 177.8441 36 F 4.2015 8.6385 118.8422 61.4282 39.4537 176.1647 37 F 4.0894 8.8159 117.4554 58.3333 39.3295 177.0012 38 G 3.9734 8.8832 107.7189 45.7316 0.0000 172.6825 39 L 5.0137 7.7409 119.1572 52.4697 44.8265 175.4389 40 C 5.2666 8.4813 114.0206 56.5713 30.9849 174.8129 41 R 4.0813 8.7072 117.6871 60.0780 28.6861 178.5170 42 I 3.7960 7.8109 120.4885 64.1645 37.2592 177.8184 43 C 4.4613 7.9252 116.3391 60.4914 29.4983 175.5033 44 L 3.6667 7.8782 123.1298 58.2140 41.6417 178.9891 45 R 3.8002 7.6612 118.4184 59.2227 29.6197 178.1339 46 E 3.9720 8.0943 118.4445 59.6387 29.5207 179.4992 47 L 4.0009 7.9972 118.5392 57.6699 41.4538 179.2819 48 A 3.9620 7.7503 119.7843 55.6357 18.3078 179.1463 49 H 4.2878 7.9868 113.7980 58.9025 28.8369 177.9486 50 K 4.1917 7.5553 119.3391 57.5321 31.6676 178.2987 51 G 3.9911 8.3884 106.7338 45.4530 0.0000 174.3240 52 Q 4.2019 7.8409 116.3092 56.2821 29.0841 176.2451 53 L 4.6821 7.2842 119.9696 51.8291 41.3822 173.4551 54 P 4.4181 0.0000 0.0000 63.9059 31.7220 177.7543 55 G 3.9063 8.8640 109.9099 45.8144 0.0000 174.2012 56 V 3.9447 7.5256 119.8369 61.6600 30.1021 174.9324 57 R 4.4912 7.8734 125.4681 53.4620 32.0377 175.7183 58 K 3.9013 8.4330 122.8633 56.1968 32.3099 176.4303 59 A 4.3095 8.4707 130.1263 52.2368 19.0009 176.9190 60 S 4.3725 8.6012 118.8453 57.3726 66.5291 174.4075 61 W 4.6089 8.0675 121.9793 57.0154 27.3354 174.2256 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 2 A 8.26 4.33 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 3 R 8.06 4.25 0.00 1.95 1.89 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 4 K 8.25 3.95 0.00 1.92 1.79 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 5 A 8.00 4.08 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 6 L 7.86 4.16 0.00 1.88 1.80 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.38 3.82 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.98 0.00 0.00 8 E 7.93 4.08 0.00 2.12 1.98 0.00 0.00 0.00 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 2.35 0.00 9 K 7.99 4.04 0.00 1.95 1.99 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.48 7.81 10 A 7.91 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.32 4.24 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.46 7.81 12 R 7.64 3.84 0.00 1.73 1.97 0.00 3.44 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 13 T 7.77 3.44 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 1.19 0.00 0.00 14 P 0.00 4.30 0.00 2.09 2.11 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 15 K 7.27 3.89 0.00 1.35 0.74 0.00 1.15 0.00 0.00 1.14 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 1.15 7.81 16 F 6.40 4.38 0.00 3.12 3.03 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 17 K 8.68 4.20 0.00 1.97 2.12 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.48 7.81 18 V 7.13 4.26 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 0.82 0.00 0.00 0.97 0.00 0.00 19 R 8.28 4.76 0.00 1.85 1.99 0.00 3.26 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 20 A 7.92 4.27 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 21 Y 7.64 4.38 0.00 3.11 2.99 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 22 T 8.31 3.98 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 1.26 0.00 0.00 23 R 8.19 4.58 0.00 1.63 1.71 0.00 3.37 0.00 0.00 3.48 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 24 C 8.71 4.32 0.00 3.08 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 25 V 8.35 3.65 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 0.84 0.00 0.00 0.97 0.00 0.00 26 R 7.54 3.80 0.00 1.87 1.83 0.00 3.27 0.00 0.00 3.30 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 27 C 8.27 4.32 0.00 3.09 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 28 G 7.91 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.56 4.13 0.00 1.90 1.85 0.00 3.20 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.66 0.00 30 A 8.51 4.33 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 31 R 7.23 4.64 0.00 1.93 2.01 0.00 3.12 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 32 S 8.51 3.70 0.00 4.08 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 33 V 7.10 4.45 2.14 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 0.85 0.00 0.00 1.06 0.00 0.00 34 Y 8.81 4.23 0.00 3.29 3.10 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 35 R 8.83 4.03 0.00 1.92 2.06 0.00 3.26 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 36 F 8.64 4.20 0.00 3.09 3.21 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 37 F 8.82 4.09 0.00 3.24 3.18 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 0.00 38 G 8.88 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.74 5.01 0.00 1.76 1.62 1.01 0.93 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 40 C 8.48 5.27 0.00 3.16 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 41 R 8.71 4.08 0.00 2.16 2.50 0.00 3.03 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 42 I 7.81 3.80 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.95 0.95 0.00 0.00 43 C 7.93 4.46 0.00 3.15 3.21 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 44 L 7.88 3.67 0.00 1.59 1.75 0.14 -0.01 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 45 R 7.66 3.80 0.00 1.82 2.01 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 46 E 8.09 3.97 0.00 2.24 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 2.34 2.64 0.00 47 L 8.00 4.00 0.00 1.67 1.72 0.97 0.56 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 48 A 7.75 3.96 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 49 H 7.99 4.29 0.00 3.31 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.56 4.19 0.00 1.94 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.61 7.81 51 G 8.39 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 52 Q 7.84 4.20 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 53 L 7.28 4.68 0.00 1.68 1.86 0.72 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.42 0.00 2.07 2.03 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 55 G 8.86 3.91 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 0.00 0.00 0.00 56 V 7.53 3.94 2.32 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 0.74 0.00 0.00 1.26 0.00 0.00 57 R 7.87 4.49 0.00 1.82 1.81 0.00 3.31 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 58 K 8.43 3.90 0.00 1.74 1.72 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.37 7.81 59 A 8.47 4.31 1.42 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 60 S 8.60 4.37 0.00 3.85 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 61 W 8.07 4.61 0.00 3.31 3.16 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