NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.1345 8.1749 110.8437 60.8583 70.3229 173.1202 1G F 4.8662 8.1190 119.1059 56.1462 42.9273 173.3308 1F G 4.0060 9.6963 112.7435 45.2060 0.0000 172.3759 1E A 5.3801 8.8826 135.0000 51.2213 17.8019 175.8874 1D G 4.8122 7.0176 118.3041 46.0663 0.0000 171.8265 1C E 4.1406 8.1983 127.0259 56.1087 29.3661 178.7180 1B A 3.8094 8.2047 119.6758 53.0066 17.2976 178.1877 1A D 4.7691 8.0597 112.2162 54.6573 46.9414 175.1940 1 C 4.1571 8.0138 113.6517 59.4423 29.9945 174.2009 2 G 3.9269 8.8430 109.6463 45.5583 0.0000 173.2964 3 L 4.4702 7.2594 119.4397 53.0700 41.9461 176.4922 4 R 4.2601 8.5785 124.3138 55.0981 30.6452 175.9201 5 P 4.2434 0.0000 0.0000 65.9273 31.3802 178.2797 6 L 3.8694 7.8584 114.0187 55.7733 41.6962 176.8067 7 F 4.7185 7.1539 114.9699 58.1178 42.2863 176.9026 8 E 3.9849 8.8242 120.9942 60.0630 30.0208 179.8414 9 K 4.1682 8.0319 115.4391 58.0159 32.1064 177.5957 10 K 4.2701 7.7496 117.9976 55.4285 32.8771 175.8701 11 Q 3.6601 7.9531 115.4063 57.4700 26.5521 172.9794 12 V 4.3931 8.0718 117.2962 61.1701 33.3285 175.0248 13 Q 4.6947 8.4495 125.3401 54.4827 30.1287 175.4118 14 D 4.8901 8.9284 122.2341 52.4927 40.5570 176.5640 14A Q 4.2346 8.4928 117.2616 57.7491 28.8616 177.0167 14B T 4.5886 7.8015 105.7314 59.8089 70.7008 174.9010 14C E 3.9103 8.6700 124.4456 59.7495 29.5193 178.6816 14D K 4.1833 7.9571 117.2402 59.1402 32.5080 178.4568 14E E 3.9455 8.4225 121.5552 58.9949 29.1413 178.5735 14F L 3.6022 7.7782 119.2501 57.4713 41.8215 179.2623 14G F 3.5474 8.2200 117.2248 60.2115 38.8242 177.4392 14H E 4.0170 8.3231 118.7126 59.3292 28.9599 179.5009 14I S 4.0696 7.4036 113.9576 61.3520 62.8109 176.2634 14J Y 4.3342 6.8039 119.9013 60.8455 38.0328 177.6981 14K I 3.9840 7.8332 114.1638 63.9524 37.7044 178.0014 14L E 4.2315 8.4081 119.3215 58.1849 29.4328 178.4378 14M G 3.7434 7.6005 103.8020 44.5109 0.0000 173.6475 15 R 4.2258 7.6484 126.0897 56.6571 31.6793 175.4620 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 1H T 8.17 4.13 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 1.02 0.00 0.00 1G F 8.12 4.87 0.00 3.44 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 1F G 9.70 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E A 8.88 5.38 1.36 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 0.00 0.00 0.00 1D G 7.02 4.81 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 0.00 0.00 0.00 1C E 8.20 4.14 0.00 2.17 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 0.00 2.49 2.31 0.00 1B A 8.20 3.81 1.38 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 1A D 8.06 4.77 0.00 2.88 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.01 4.16 0.00 3.15 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 2 G 8.84 3.93 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 0.00 0.00 0.00 3 L 7.26 4.47 0.00 1.67 1.68 0.95 0.86 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 4 R 8.58 4.26 0.00 2.16 2.08 0.00 3.18 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 5 P 0.00 4.24 0.00 2.19 2.12 0.00 3.66 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 6 L 7.86 3.87 0.00 1.47 1.05 0.84 0.72 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 7 F 7.15 4.72 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 3.98 0.00 2.14 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 2.44 2.44 0.00 9 K 8.03 4.17 0.00 1.78 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.54 7.81 10 K 7.75 4.27 0.00 1.83 1.87 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.29 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.44 7.81 11 Q 7.95 3.66 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.39 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 12 V 8.07 4.39 2.03 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 0.79 0.00 0.00 0.89 0.00 0.00 13 Q 8.45 4.69 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 14 D 8.93 4.89 0.00 2.46 1.77 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 14A Q 8.49 4.23 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 14B T 7.80 4.59 4.22 0.00 0.00 0.00 0.00 0.00 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 14C E 8.67 3.91 0.00 2.39 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 0.00 2.23 2.37 0.00 14D K 7.96 4.18 0.00 1.98 2.02 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.43 7.81 14E E 8.42 3.95 0.00 1.99 2.19 0.00 0.00 0.00 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 2.31 0.00 14F L 7.78 3.60 0.00 1.98 1.30 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14G F 8.22 3.55 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.32 4.02 0.00 1.98 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 0.00 2.34 2.57 0.00 14I S 7.40 4.07 0.00 4.01 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 14J Y 6.80 4.33 0.00 2.87 2.83 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 0.00 0.00 0.00 14K I 7.83 3.98 1.91 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 1.75 0.62 1.04 0.00 0.00 14L E 8.41 4.23 0.00 1.98 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 2.34 2.59 0.00 14M G 7.60 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 15 R 7.65 4.23 0.00 2.02 1.98 0.00 3.46 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00