NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3399 8.3149 120.1336 56.1781 32.4477 174.3936 2 K 4.5532 7.7096 120.4628 53.9697 36.4862 171.8601 3 V 3.7845 9.0986 115.2907 64.1829 32.7926 176.8541 4 C 4.4379 7.8290 115.8728 59.1794 28.9607 172.7706 5 A 4.6276 8.0367 123.9784 50.6444 21.7090 177.2621 6 C 4.5159 8.6646 120.4643 56.0498 41.0109 172.0175 7 P 4.5902 0.0000 0.0000 62.7481 31.6608 176.3260 8 K 4.4462 8.3015 117.4467 56.5914 33.1617 176.6258 9 I 3.8921 7.4102 120.6988 61.5474 37.7887 176.6142 10 L 4.3601 8.1502 126.8791 54.2374 40.9447 176.5576 11 K 4.8160 7.5127 123.1175 53.6055 32.6604 173.7181 12 P 5.0346 0.0000 0.0000 62.4812 33.6501 176.9916 13 V 5.0344 8.2017 111.9047 59.1530 36.6866 173.7170 14 C 4.9525 8.9375 124.1390 55.6082 45.2952 173.6798 15 G 4.5033 9.1090 114.5170 45.6704 0.0000 174.4958 16 S 4.3347 8.5706 114.6323 60.5486 63.0946 175.3545 17 D 4.4094 8.0933 119.8124 55.3396 40.7380 177.2067 18 G 3.9479 8.2726 107.8132 45.1855 0.0000 174.2013 19 R 4.0020 7.5240 118.4968 56.1019 30.8310 175.2514 20 T 5.1296 7.7143 115.3772 61.2202 70.7134 173.5714 21 Y 4.8122 8.1713 121.9813 55.6890 41.1665 176.5507 22 A 4.0460 8.6091 123.4992 54.9894 18.7882 176.8107 23 N 5.2328 7.4528 113.3589 52.3245 40.9855 175.4618 24 S 4.1312 8.4253 115.9353 61.6443 62.7804 177.3820 25 C 4.2119 8.0964 120.8855 59.7203 43.2593 175.3797 26 I 3.5494 7.6220 118.2583 63.6981 37.9392 177.0512 27 A 2.9860 7.5617 122.0193 55.0234 18.1428 179.8985 28 R 4.1764 7.8531 115.5603 59.0699 29.2227 178.6655 29 C 4.1028 7.8382 116.3010 62.0473 28.1385 174.8021 30 N 4.6157 7.5381 115.8875 53.4209 38.2959 175.7983 31 G 3.8980 8.3148 109.1538 45.2265 0.0000 173.4463 32 V 4.4520 7.2504 117.9196 60.4610 34.9741 175.0704 33 S 4.5160 8.2727 119.5210 57.1873 64.2889 173.0611 34 I 4.2643 8.0235 115.7838 61.0061 37.3701 175.8016 35 K 4.3125 9.1872 129.9671 59.2539 32.8337 176.6475 36 S 4.7983 7.6793 112.1384 57.0123 66.1609 174.1494 37 E 4.3173 8.7244 118.9231 57.1086 30.1089 177.3938 38 G 4.0750 8.6155 106.3948 45.0560 0.0000 173.2231 39 S 4.2158 8.3920 113.7833 58.3443 62.9458 172.4759 40 C 4.8418 7.9061 120.3198 52.7377 41.8952 171.7522 41 P 4.4474 0.0000 0.0000 63.0252 31.2667 177.4298 42 T 3.9064 8.5452 120.0328 65.3291 68.6368 175.3389 43 G 3.8964 7.4393 109.5081 45.8386 0.0000 173.9957 44 I 4.1020 7.4622 125.7625 61.3255 37.8001 175.2398 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 K 8.31 4.34 0.00 1.76 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.41 7.81 2 K 7.71 4.55 0.00 1.75 1.64 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.52 7.81 3 V 9.10 3.78 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 0.65 0.00 0.00 0.93 0.00 0.00 4 C 7.83 4.44 0.00 2.95 2.84 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 5 A 8.04 4.63 1.18 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 0.00 0.00 6 C 8.66 4.52 0.00 2.97 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 7 P 0.00 4.59 0.00 2.18 2.05 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 8 K 8.30 4.45 0.00 1.87 1.93 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.43 7.81 9 I 7.41 3.89 1.88 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 1.30 0.54 0.91 0.00 0.00 10 L 8.15 4.36 0.00 1.61 1.60 0.92 0.54 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 11 K 7.51 4.82 0.00 1.70 1.68 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.41 7.81 12 P 0.00 5.03 0.00 2.13 2.24 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.85 0.00 13 V 8.20 5.03 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 0.97 0.00 0.00 1.04 0.00 0.00 14 C 8.94 4.95 0.00 3.03 2.98 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 15 G 9.11 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.33 0.00 4.05 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 17 D 8.09 4.41 0.00 2.79 2.81 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 18 G 8.27 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 0.00 0.00 0.00 19 R 7.52 4.00 0.00 1.67 0.99 0.00 2.81 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 20 T 7.71 5.13 4.13 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 0.00 0.00 0.00 1.24 0.00 0.00 21 Y 8.17 4.81 0.00 3.02 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 22 A 8.61 4.05 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 23 N 7.45 5.23 0.00 2.88 2.92 0.00 0.00 6.75 7.71 0.00 0.00 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 S 8.43 4.13 0.00 3.88 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 25 C 8.10 4.21 0.00 2.97 3.06 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 26 I 7.62 3.55 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 1.03 0.00 0.00 27 A 7.56 2.99 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 28 R 7.85 4.18 0.00 2.00 2.15 0.00 3.02 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.51 0.00 29 C 7.84 4.10 0.00 3.08 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 30 N 7.54 4.62 0.00 2.56 2.77 0.00 0.00 7.12 8.55 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 31 G 8.31 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 32 V 7.25 4.45 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 1.08 0.00 0.00 1.02 0.00 0.00 33 S 8.27 4.52 0.00 4.04 3.96 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 34 I 8.02 4.26 1.90 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 1.24 0.48 0.92 0.00 0.00 35 K 9.19 4.31 0.00 1.77 1.99 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.44 7.81 36 S 7.68 4.80 0.00 3.90 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 37 E 8.72 4.32 0.00 2.11 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 2.28 2.31 0.00 38 G 8.62 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 39 S 8.39 4.22 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.84 0.00 3.11 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 41 P 0.00 4.45 0.00 2.23 2.23 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 42 T 8.55 3.91 4.23 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 1.19 0.00 0.00 43 G 7.44 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 44 I 7.46 4.10 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 0.72 0.91 0.00 0.00