NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1467 8.1849 122.4907 54.8556 43.1632 176.1329 5 R 4.0917 8.4924 124.9199 53.9743 30.0767 170.9673 6 V 4.1567 8.8382 125.3695 60.7411 33.1389 175.6394 7 Q 4.1903 8.5352 127.0054 55.3726 30.4384 176.1683 8 P 4.2362 0.0000 0.0000 66.4433 31.3627 178.6788 9 E 3.9754 8.1477 117.8774 58.6294 29.2922 179.0782 10 A 3.9738 7.8842 120.5766 55.1785 18.6294 179.2032 11 Q 3.9069 8.1016 117.9227 59.2099 29.0705 178.3391 12 A 4.0102 7.7919 121.9385 55.1234 18.3154 179.4967 13 K 3.8497 7.7800 116.4802 59.7555 32.1721 179.6897 14 V 3.6389 7.5928 118.1190 66.2444 31.5616 177.5584 15 D 4.4233 8.5434 119.0895 57.5267 40.5720 179.2656 16 V 3.5797 7.9134 118.4284 65.9852 31.5991 177.7319 17 F 4.2273 8.0528 120.1230 61.6398 39.2314 177.3600 18 R 3.6668 8.2231 117.5173 58.8843 29.7185 179.0021 19 E 3.8596 8.1590 118.4719 59.5006 29.5657 178.7629 20 D 4.3064 8.2271 119.2688 57.5406 40.9503 178.9302 21 L 3.7752 7.6266 120.4508 58.1227 41.8890 178.6015 22 C 4.0278 7.8802 118.6169 62.6139 31.4910 175.5535 23 T 3.9394 7.9660 117.3705 66.7705 68.1191 176.4636 24 K 3.7841 8.4000 120.5127 60.1726 32.1051 179.5037 25 T 3.7960 7.8571 115.6342 66.4426 68.2981 176.8334 26 E 3.9443 8.4322 120.9776 59.3121 29.5350 179.1877 27 N 4.3042 8.1103 116.6968 56.0386 38.5061 177.2673 28 L 3.7655 7.7326 120.3357 57.7582 41.4630 179.6258 29 L 3.8020 7.1141 116.7149 57.7796 41.8081 179.7209 30 G 3.7907 7.9244 103.0094 46.5550 0.0000 173.3773 31 S 4.6973 8.0266 113.7725 59.0699 68.2810 175.2018 32 Y 4.0232 8.3602 120.3059 60.8122 38.5632 177.9473 33 F 4.5114 8.7458 118.8225 60.5006 38.9879 176.0419 34 P 4.3576 0.0000 0.0000 65.1170 31.0457 178.7611 35 K 3.9413 8.0747 118.7236 59.5585 32.2390 179.1131 36 K 3.8521 8.2603 119.1647 59.4852 31.7554 179.4308 37 I 3.7351 7.9075 120.1248 64.3964 36.9135 178.6992 38 S 4.1732 7.7790 116.1789 61.3165 62.7375 176.4794 39 E 3.9270 8.2768 121.3041 59.5746 29.2944 179.4745 40 L 4.1678 7.9680 118.9155 57.8724 41.5331 179.0455 41 D 4.3521 8.0077 117.9336 57.2166 40.8384 178.3568 42 A 4.0050 7.6033 120.2824 55.0200 18.7583 178.7872 43 F 4.6744 8.3350 119.2418 61.8359 39.1340 177.4371 44 L 3.8299 7.8143 117.3850 57.5803 41.5707 179.0525 45 K 4.1942 7.5671 115.3789 56.6492 32.3068 177.0601 46 E 4.3163 7.5396 121.4311 54.8582 30.6401 175.5343 47 P 4.2259 0.0000 0.0000 65.6474 31.8060 178.6507 48 A 3.9976 8.2694 119.8711 55.2421 18.2743 178.0369 49 L 4.5509 7.4707 112.9386 54.7611 41.6627 177.7934 50 N 4.9389 8.0542 117.3577 51.4423 39.8432 171.8234 51 E 4.5982 8.1001 118.3408 54.0709 32.4191 176.1738 52 A 3.9831 8.8537 127.3242 54.9100 18.9385 177.0984 53 N 4.7123 7.9240 116.1707 52.0811 38.8205 175.8330 54 L 4.2964 8.3114 123.5081 56.1073 42.2379 178.6245 55 S 4.4721 7.9232 113.4056 59.3170 62.9832 174.3363 56 N 4.6308 7.6231 117.8050 54.4832 38.9820 176.2726 57 L 4.0596 7.6702 119.1855 56.6014 42.4330 176.8935 58 K 3.7084 7.9859 119.0768 56.9975 32.2505 175.1691 59 A 4.7572 8.2806 128.8639 49.3246 21.0163 174.5405 60 P 4.4173 0.0000 0.0000 63.1027 31.9066 176.8928 61 L 4.4894 7.8777 121.8395 53.7612 42.4663 172.6236 62 D 4.6175 8.2238 121.0500 53.0079 41.9210 176.2305 63 I 4.2166 8.0907 126.4270 61.6506 38.2306 175.0317 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 L 8.18 4.15 0.00 1.60 1.64 0.92 0.61 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 5 R 8.49 4.09 0.00 1.91 1.88 0.00 3.22 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 6 V 8.84 4.16 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 0.83 0.00 0.00 0.93 0.00 0.00 7 Q 8.54 4.19 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 8 P 0.00 4.24 0.00 2.26 2.31 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 9 E 8.15 3.98 0.00 2.03 2.04 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 0.00 2.40 2.37 0.00 10 A 7.88 3.97 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 11 Q 8.10 3.91 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 12 A 7.79 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 3.85 0.00 2.03 1.89 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 14 V 7.59 3.64 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 1.11 0.00 0.00 0.96 0.00 0.00 15 D 8.54 4.42 0.00 2.86 2.73 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 16 V 7.91 3.58 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 1.11 0.00 0.00 1.03 0.00 0.00 17 F 8.05 4.23 0.00 3.11 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 3.67 0.00 2.02 1.90 0.00 3.23 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 19 E 8.16 3.86 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 2.63 0.00 20 D 8.23 4.31 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 3.78 0.00 1.32 1.48 0.72 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.88 4.03 0.00 2.97 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 23 T 7.97 3.94 4.35 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 1.17 0.00 0.00 24 K 8.40 3.78 0.00 1.77 1.76 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.57 7.81 25 T 7.86 3.80 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 26 E 8.43 3.94 0.00 1.93 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 2.28 2.59 0.00 27 N 8.11 4.30 0.00 2.86 2.83 0.00 0.00 6.96 6.88 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 28 L 7.73 3.77 0.00 1.64 0.93 0.52 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.11 3.80 0.00 1.50 1.64 0.87 0.94 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 30 G 7.92 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 0.00 0.00 0.00 31 S 8.03 4.70 0.00 3.87 3.88 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 0.00 0.00 0.00 32 Y 8.36 4.02 0.00 3.07 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 33 F 8.75 4.51 0.00 3.20 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 34 P 0.00 4.36 0.00 2.20 2.14 0.00 3.78 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 2.17 2.23 0.00 35 K 8.07 3.94 0.00 1.85 1.97 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 36 K 8.26 3.85 0.00 1.87 1.75 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.51 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.90 1.31 7.81 37 I 7.91 3.74 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.91 0.00 0.00 38 S 7.78 4.17 0.00 3.96 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 39 E 8.28 3.93 0.00 1.97 1.96 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 2.28 2.59 0.00 40 L 7.97 4.17 0.00 1.72 1.76 0.94 0.91 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 41 D 8.01 4.35 0.00 2.98 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 42 A 7.60 4.01 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 43 F 8.34 4.67 0.00 3.06 3.20 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 0.00 44 L 7.81 3.83 0.00 1.84 1.65 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.57 4.19 0.00 1.80 1.87 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.71 7.81 46 E 7.54 4.32 0.00 2.42 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 0.00 2.38 2.34 0.00 47 P 0.00 4.23 0.00 2.24 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 48 A 8.27 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.55 0.00 1.63 1.49 -0.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.05 4.94 0.00 2.71 2.68 0.00 0.00 6.65 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.10 4.60 0.00 1.90 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 2.19 2.34 0.00 52 A 8.85 3.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.92 4.71 0.00 2.76 2.77 0.00 0.00 7.08 6.74 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 54 L 8.31 4.30 0.00 1.70 1.69 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.92 4.47 0.00 3.86 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 56 N 7.62 4.63 0.00 2.93 2.87 0.00 0.00 6.88 8.87 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 57 L 7.67 4.06 0.00 1.56 2.00 0.92 0.40 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 58 K 7.99 3.71 0.00 1.75 1.82 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.46 7.81 59 A 8.28 4.76 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 60 P 0.00 4.42 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 61 L 7.88 4.49 0.00 1.54 1.55 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.22 4.62 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 4.22 1.87 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 1.27 0.78 0.91 0.00 0.00