NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3413 8.3044 120.3501 55.2327 33.2512 177.8536 2 K 4.0018 8.7849 119.3420 54.5858 32.2389 174.6799 3 R 4.1298 8.7128 125.5782 57.0583 31.9546 176.5938 4 T 4.4476 7.7018 113.6266 58.8767 65.9336 174.2262 5 F 5.0731 7.5617 119.0350 58.1096 42.0976 171.7326 6 Q 4.3866 8.5555 124.1219 52.4009 28.2138 173.6452 7 P 4.3236 0.0000 0.0000 63.6208 31.7356 177.6422 8 S 4.3916 8.5375 110.0445 56.4526 63.7593 175.9517 9 V 3.6182 8.5598 129.9743 64.9554 31.0081 177.4809 10 L 4.0787 7.9281 120.1330 57.8105 42.0091 178.9275 11 K 3.9758 8.0093 117.8038 59.5786 31.6888 179.2341 12 R 4.0451 8.6069 116.5980 60.3254 28.8198 176.9244 13 N 4.6899 8.2719 117.8657 54.1955 38.2664 176.9175 14 R 3.8627 8.0020 124.5354 59.9212 30.6163 178.8477 15 S 4.2225 7.9375 114.1945 60.6832 63.7202 175.6589 16 H 4.9305 7.7522 115.8999 54.7596 29.5194 173.9534 17 G 4.0910 8.2151 107.6357 43.7700 0.0000 172.6878 18 F 4.2205 8.6926 121.3680 60.6100 39.1497 176.8968 19 R 3.5667 8.3280 118.6657 59.5794 30.1584 178.5369 20 A 4.0888 7.8658 119.0775 55.0594 18.6582 179.1826 21 R 3.9825 7.6240 116.8182 59.3817 29.8878 177.9892 22 M 4.2846 8.1383 117.2236 55.5300 30.8625 176.5444 23 A 4.3703 7.0713 120.8296 53.6942 21.4774 179.3775 24 T 4.1091 7.3944 103.2844 60.6312 71.2469 174.9972 25 K 3.8647 8.4449 121.6927 59.8696 32.5193 177.9859 26 N 4.5247 8.1539 115.9891 56.2994 38.6127 177.3348 27 G 3.5934 8.2523 107.1075 48.0067 0.0000 175.6242 28 R 4.0976 8.0628 120.5606 57.8048 29.8701 177.4124 29 Q 4.2237 7.9098 118.5291 57.8604 29.1856 177.5723 30 V 3.4389 7.9752 120.0904 66.0367 31.6154 177.8201 31 L 3.9510 7.8773 117.9197 57.8681 40.1075 179.1203 32 A 4.2521 7.5412 120.0588 54.6943 18.0702 179.3555 33 R 3.8645 7.9931 117.4552 59.2731 30.4369 178.2720 34 R 3.9130 7.8995 117.2229 59.3539 29.9718 178.6382 35 R 3.8428 8.4644 118.4493 59.6074 29.9929 178.3082 36 A 4.1290 7.1508 119.3384 55.0120 18.7621 179.3125 37 K 3.9897 8.3371 116.8715 57.9404 32.1261 177.3286 38 G 3.8165 8.0632 106.5572 45.6333 0.0000 173.5447 39 R 3.9340 7.9352 118.4143 56.2934 30.0377 175.1835 40 A 4.3053 7.8802 122.6911 53.9347 19.6431 178.9846 41 R 4.2815 7.6141 120.4063 54.1387 29.1420 176.5735 42 L 3.9849 7.7758 124.1368 57.2553 42.5359 178.0505 43 T 4.0980 8.0283 106.1314 61.9271 68.8702 172.0975 44 V 3.1095 8.4052 120.6467 63.8262 28.4866 173.3037 45 S 3.9185 7.6574 118.2559 59.0978 63.3651 175.2014 46 K 3.9868 7.7104 127.1562 56.3587 31.9989 174.8213 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 M 8.30 4.34 0.00 2.00 1.28 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.78 4.00 0.00 1.84 1.71 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.53 7.81 3 R 8.71 4.13 0.00 1.86 1.94 0.00 3.43 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.70 4.45 4.27 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 1.24 0.00 0.00 5 F 7.56 5.07 0.00 2.75 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 6 Q 8.56 4.39 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 7 P 0.00 4.32 0.00 2.08 1.75 0.00 3.60 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 8 S 8.54 4.39 0.00 3.88 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 9 V 8.56 3.62 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 0.83 0.00 0.00 0.95 0.00 0.00 10 L 7.93 4.08 0.00 1.75 1.72 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.01 3.98 0.00 2.01 1.86 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 12 R 8.61 4.05 0.00 2.08 2.48 0.00 2.84 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 13 N 8.27 4.69 0.00 2.96 2.79 0.00 0.00 6.81 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.00 3.86 0.00 1.76 2.04 0.00 3.21 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 15 S 7.94 4.22 0.00 3.64 3.50 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 16 H 7.75 4.93 0.00 3.10 3.25 0.00 5.84 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 17 G 8.22 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 0.00 0.00 0.00 18 F 8.69 4.22 0.00 3.11 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 19 R 8.33 3.57 0.00 1.88 2.05 0.00 3.35 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 20 A 7.87 4.09 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 21 R 7.62 3.98 0.00 2.05 1.81 0.00 3.07 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 22 M 8.14 4.28 0.00 1.77 1.70 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.45 0.00 23 A 7.07 4.37 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.39 4.11 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 1.18 0.00 0.00 25 K 8.44 3.86 0.00 1.73 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.58 7.81 26 N 8.15 4.52 0.00 2.83 2.85 0.00 0.00 6.81 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.25 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.10 0.00 1.78 2.11 0.00 3.22 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 29 Q 7.91 4.22 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 30 V 7.98 3.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 31 L 7.88 3.95 0.00 1.72 1.75 0.68 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.54 4.25 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 33 R 7.99 3.86 0.00 2.04 2.03 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 34 R 7.90 3.91 0.00 1.91 1.96 0.00 3.23 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 35 R 8.46 3.84 0.00 1.79 2.22 0.00 3.29 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 36 A 7.15 4.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 3.99 0.00 1.72 2.03 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 38 G 8.06 3.82 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 0.00 0.00 0.00 39 R 7.94 3.93 0.00 1.92 1.89 0.00 3.28 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 40 A 7.88 4.31 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 41 R 7.61 4.28 0.00 1.83 1.93 0.00 3.26 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 42 L 7.78 3.98 0.00 1.64 1.79 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.03 4.10 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 1.26 0.00 0.00 44 V 8.41 3.11 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 0.96 0.00 0.00 45 S 7.66 3.92 0.00 4.01 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 46 K 7.71 3.99 0.00 1.66 1.65 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.35 7.81