NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3149 8.1744 110.9437 61.3546 70.4663 173.4261 6 N 4.7055 8.0093 118.9564 53.1758 39.0248 173.2430 7 S 4.3817 8.8436 113.4464 58.0947 64.6395 173.3582 8 D 4.7743 8.6807 121.6164 55.1710 41.7804 175.5274 9 F 5.3566 7.9324 114.4684 55.2746 41.7382 173.6875 10 V 4.4803 8.7987 118.6952 61.0476 34.8283 174.0825 11 V 4.8529 8.6071 126.5230 61.3126 33.7106 174.3743 12 I 4.9420 8.8729 128.4253 59.3139 40.8688 174.1343 13 K 4.9957 9.1482 128.4290 54.2086 34.7910 174.9420 14 A 4.4425 8.9237 130.3763 52.2336 19.1398 177.4090 15 L 4.6461 8.8625 122.3315 54.6489 42.5996 175.6167 16 E 4.7149 7.6342 115.9509 55.1300 32.6072 174.3297 17 D 4.3213 8.5349 119.9223 55.1780 41.5017 177.1491 18 G 3.8435 8.1112 109.2324 45.5298 0.0000 173.6319 19 V 3.8959 7.6215 119.6808 62.7444 32.8388 174.5506 20 N 5.3321 9.2091 125.1619 51.4839 41.3783 173.5237 21 V 4.5004 8.7031 124.8535 61.3405 33.5933 174.2855 22 I 4.4957 8.5570 129.8630 59.2922 39.7937 175.0223 23 G 4.0429 8.9537 115.5494 45.3495 0.0000 172.3627 24 L 5.5305 8.7514 126.0171 52.8727 44.2882 176.2617 25 T 4.3881 8.7843 114.4572 61.8327 69.0687 174.2633 26 R 4.3691 7.9580 126.5576 57.0799 31.1766 174.8796 27 G 3.7441 8.8067 108.5089 44.1388 0.0000 174.0172 28 A 3.9158 8.6322 121.0974 54.3887 18.6655 177.6653 29 D 4.7248 7.2430 112.3064 53.3318 42.3865 176.1010 30 T 4.7068 8.3131 122.0503 61.8369 70.3358 172.8674 31 R 4.7303 9.0086 122.7589 54.1730 33.9634 174.0879 32 F 5.3012 8.6485 118.1453 57.8897 39.0678 175.5356 33 H 5.0245 8.8425 117.4297 56.1011 30.6814 173.6839 34 H 4.7299 7.6195 117.4347 55.0310 33.3188 171.9980 35 S 4.7867 8.1940 119.6142 56.3924 64.4482 172.6245 36 E 4.3722 9.3187 130.2277 54.9933 30.5398 175.1358 37 K 4.8100 8.5668 127.1067 55.9044 33.5910 176.4112 38 L 5.0027 9.0754 124.3126 53.1338 45.3045 176.0552 39 D 5.0777 9.3983 123.3126 52.3437 43.4324 175.9463 40 K 4.0953 8.8346 121.9402 58.5317 32.3026 176.6671 41 G 4.0621 9.0446 115.6842 45.2250 0.0000 173.6561 42 E 4.2074 8.1231 119.4028 56.4014 30.7211 176.1759 43 V 4.9173 8.3086 122.1541 60.9918 34.3522 174.1967 44 L 4.7513 8.9772 129.5781 53.2477 44.8099 174.7847 45 I 5.0035 8.4836 126.4245 59.5606 39.3632 174.7856 46 A 4.6956 8.9240 128.7991 50.1681 22.0873 175.4031 47 Q 4.8186 8.6746 120.9793 55.1126 30.3982 175.6907 48 F 4.7636 8.6009 120.4635 57.7912 38.7876 175.2428 49 T 4.7515 9.0960 111.9322 59.7373 72.1085 174.0169 50 E 4.1659 8.9737 121.4388 59.5217 29.5797 177.3543 51 H 4.4798 7.8646 114.7758 56.5190 29.6296 174.6436 52 T 5.3439 8.4315 115.7839 60.9709 70.4162 173.9523 53 S 4.9906 8.7805 120.0855 58.0952 64.8422 173.2996 54 A 5.2445 7.9197 121.3993 51.1740 22.6632 175.1815 55 I 4.9237 8.4964 120.2704 59.4195 40.6873 174.6446 56 K 4.5793 8.9436 128.4599 54.5332 34.6269 174.7182 57 V 4.7504 8.3896 126.6413 61.2127 33.5073 174.5665 58 R 4.5612 9.2401 127.2370 55.6234 32.9339 176.6306 59 G 4.1181 8.9604 108.5430 44.2955 0.0000 172.5160 60 K 4.5114 9.8726 121.4389 56.2679 33.0392 175.6286 61 A 5.0943 8.8833 127.9839 50.9981 23.4360 173.7131 62 Y 5.0534 9.2091 121.6973 56.0057 41.2064 174.6010 63 I 4.8970 8.3237 127.1328 59.4725 40.9602 174.2589 64 Q 5.0404 8.8142 125.8882 54.2473 31.7147 174.8937 65 T 4.8109 8.6882 113.2030 59.2706 72.4315 174.5533 66 R 3.7095 8.5121 120.9790 59.5288 29.7499 176.3463 67 H 4.7607 8.4391 112.1280 55.0189 29.5110 174.2769 68 G 3.7754 6.7712 106.7279 44.1914 0.0000 173.3138 69 V 4.8419 7.7377 113.2264 59.9634 35.2392 175.0086 70 I 4.3376 7.9465 120.0839 60.3889 41.9278 172.6273 71 E 5.3299 8.7540 126.5535 54.5086 31.9721 176.0365 72 S 4.5787 8.8200 119.0114 58.0925 64.9267 172.9280 73 E 4.9296 8.6808 120.0861 54.6968 32.7649 175.6585 74 G 4.0673 8.5316 109.8861 44.1467 0.0000 173.6372 75 K 4.2388 8.4171 119.9142 56.5548 32.2519 176.5601 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 5 T 8.17 4.31 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 6 N 8.01 4.71 0.00 2.79 2.84 0.00 0.00 7.12 6.75 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 7 S 8.84 4.38 0.00 4.07 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 8 D 8.68 4.77 0.00 2.77 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 9 F 7.93 5.36 0.00 3.05 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 10 V 8.80 4.48 1.93 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 0.86 0.00 0.00 0.82 0.00 0.00 11 V 8.61 4.85 2.10 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 1.05 0.00 0.00 1.13 0.00 0.00 12 I 8.87 4.94 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.90 0.00 0.00 13 K 9.15 5.00 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 14 A 8.92 4.44 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 15 L 8.86 4.65 0.00 1.66 1.72 0.99 0.95 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 16 E 7.63 4.71 0.00 1.93 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 2.19 2.34 0.00 17 D 8.53 4.32 0.00 2.59 2.64 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 18 G 8.11 3.84 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 0.00 0.00 0.00 19 V 7.62 3.90 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 0.85 0.00 0.00 1.00 0.00 0.00 20 N 9.21 5.33 0.00 2.57 2.58 0.00 0.00 6.29 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 21 V 8.70 4.50 2.02 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 0.89 0.00 0.00 0.89 0.00 0.00 22 I 8.56 4.50 1.56 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.28 -0.42 0.00 0.00 23 G 8.95 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.75 5.53 0.00 1.89 1.70 1.02 0.74 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 25 T 8.78 4.39 4.31 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 1.40 0.00 0.00 26 R 7.96 4.37 0.00 1.89 1.93 0.00 3.21 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.81 3.74 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 0.00 0.00 0.00 28 A 8.63 3.92 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 29 D 7.24 4.72 0.00 2.73 2.58 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 0.00 0.00 0.00 0.00 30 T 8.31 4.71 4.26 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 1.27 0.00 0.00 31 R 9.01 4.73 0.00 1.78 1.98 0.00 2.79 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 32 F 8.65 5.30 0.00 2.88 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 33 H 8.84 5.02 0.00 3.16 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.62 4.73 0.00 3.29 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.19 4.79 0.00 3.64 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 36 E 9.32 4.37 0.00 2.15 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 2.26 2.32 0.00 37 K 8.57 4.81 0.00 1.66 1.70 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.56 1.54 7.81 38 L 9.08 5.00 0.00 1.50 1.51 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.40 5.08 0.00 2.55 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 40 K 8.83 4.10 0.00 1.68 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.04 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.12 4.21 0.00 2.02 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 2.33 2.38 0.00 43 V 8.31 4.92 2.09 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 0.81 0.00 0.00 0.97 0.00 0.00 44 L 8.98 4.75 0.00 1.74 1.45 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 5.00 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.74 0.00 0.00 46 A 8.92 4.70 1.12 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 0.00 0.00 47 Q 8.67 4.82 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 48 F 8.60 4.76 0.00 3.00 2.94 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 49 T 9.10 4.75 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 1.31 0.00 0.00 50 E 8.97 4.17 0.00 1.94 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 2.07 2.29 0.00 51 H 7.86 4.48 0.00 3.39 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.43 5.34 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 53 S 8.78 4.99 0.00 3.83 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 54 A 7.92 5.24 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 55 I 8.50 4.92 1.81 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 0.87 0.00 0.00 56 K 8.94 4.58 0.00 1.84 1.59 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 57 V 8.39 4.75 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 9.24 4.56 0.00 1.73 1.78 0.00 3.16 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 59 G 8.96 4.12 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 0.00 0.00 0.00 60 K 9.87 4.51 0.00 1.87 1.76 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.88 5.09 1.26 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 0.00 0.00 62 Y 9.21 5.05 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.32 4.90 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.81 0.00 0.00 64 Q 8.81 5.04 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 65 T 8.69 4.81 4.12 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 1.14 0.00 0.00 66 R 8.51 3.71 0.00 1.57 1.70 0.00 3.12 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 67 H 8.44 4.76 0.00 3.18 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.77 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 0.00 0.00 0.00 69 V 7.74 4.84 1.94 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 0.71 0.00 0.00 1.02 0.00 0.00 70 I 7.95 4.34 1.84 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 1.22 1.21 0.85 0.00 0.00 71 E 8.75 5.33 0.00 1.92 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 2.56 2.51 0.00 72 S 8.82 4.58 0.00 3.92 3.98 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 0.00 0.00 0.00 73 E 8.68 4.93 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 74 G 8.53 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 0.00 0.00 0.00 75 K 8.42 4.24 0.00 1.74 1.71 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81