NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1347 8.2649 123.5819 52.4668 19.3835 177.6866 2 K 3.6886 8.7201 123.8789 56.5646 31.5233 173.0700 3 T 4.4696 8.8020 113.3869 64.5238 74.3096 172.0553 4 I 3.6082 7.6713 126.2534 59.7486 36.9159 172.3424 5 K 4.9438 8.1971 121.1050 54.8336 35.3401 175.2142 6 I 4.5168 9.2080 124.7919 60.4045 40.2358 174.8136 7 T 4.7886 7.8416 118.9738 62.8560 73.1259 174.8790 8 Q 3.9889 9.2160 125.5666 58.4681 29.5188 178.8445 9 T 3.6226 8.4307 104.3257 62.2577 68.8532 172.0315 10 R 4.6005 7.8170 120.7300 54.2618 34.2843 175.0029 11 S 4.1325 8.8198 117.6290 58.8402 63.3467 174.1429 12 A 4.6759 8.4720 126.3880 52.2876 18.7489 178.4692 13 I 3.5580 7.3067 119.8161 66.2357 36.9800 177.6219 14 G 3.8170 8.3667 113.7304 47.0775 0.0000 173.6329 15 R 4.2863 7.5461 119.0036 55.3874 30.9620 176.9023 16 L 4.2487 8.1999 118.7479 54.1840 43.7310 176.8246 17 P 4.2648 0.0000 0.0000 65.4111 31.2817 178.9874 18 K 4.0591 7.9447 118.2634 59.2273 32.1665 178.5926 19 H 4.2952 7.9582 116.2599 58.8983 28.9802 177.2904 20 K 3.8557 8.2695 120.1301 59.7152 31.8619 179.1068 21 A 3.9570 7.9764 120.4268 55.4983 18.5074 179.7951 22 T 3.8806 7.8873 108.1089 64.8022 68.5234 176.5806 23 L 3.9146 7.9956 121.9631 57.8077 41.5540 178.9995 24 L 4.2740 7.7053 117.6649 57.8404 41.5608 179.4050 25 G 3.8043 7.8242 104.3600 46.6520 0.0000 175.2418 26 L 4.3988 7.7639 118.8991 53.6164 43.2066 176.2332 27 G 3.8152 8.4408 109.7053 44.8172 0.0000 171.7471 28 L 4.2660 7.5471 119.6693 55.3837 42.4450 175.3139 29 R 4.0166 8.0416 125.4010 57.4834 30.4622 180.0815 30 R 4.1472 7.8313 123.1649 56.2399 31.1825 177.6155 31 I 3.7482 8.1178 111.5888 61.7805 35.3038 171.8224 32 G 3.7106 8.5902 120.7568 45.9452 0.0000 171.3722 33 H 4.2430 8.6705 124.1908 56.4458 30.4797 174.8969 34 T 4.1488 7.5371 113.3770 64.5653 65.9496 172.8855 35 V 3.8017 7.3668 120.9606 61.2565 32.8001 175.0003 36 E 4.8961 8.6923 125.0175 54.9879 29.3943 173.8692 37 R 4.2524 7.0920 126.3172 55.0573 32.1803 177.4899 38 E 4.7770 6.8378 118.7332 56.6966 33.8822 175.3182 39 D 4.8789 8.6437 114.8643 53.3772 41.2707 175.9222 40 T 4.3936 7.4597 117.2979 61.9640 70.0903 175.0102 41 P 4.2233 0.0000 0.0000 65.1091 31.3223 177.1634 42 A 4.0751 7.5434 122.0891 54.9101 18.4459 179.1233 43 I 3.9228 7.5892 107.9462 62.4909 38.0768 177.3845 44 R 4.1525 8.2267 120.7456 56.7559 30.3342 177.3543 45 G 3.8409 8.1655 103.5454 47.3958 0.0000 175.4884 46 M 4.2492 7.8858 120.7231 58.2170 32.0846 177.8476 47 I 3.6002 7.2564 120.5367 64.6971 37.1183 177.7054 48 N 4.1761 8.2683 117.0731 56.1815 36.7794 176.6017 49 A 4.1931 7.8117 122.2179 54.5136 18.7906 179.7797 50 V 3.9999 7.4197 109.6647 60.6977 32.6107 177.8884 51 S 4.1651 8.1271 117.1002 61.4036 63.0598 175.8389 52 F 4.4427 8.0028 111.3381 57.8372 37.4026 175.2261 53 M 4.8622 7.5907 121.6533 53.7108 32.7552 176.1761 54 V 5.1654 7.4704 111.3115 61.5870 33.7454 174.2027 55 K 4.3145 8.6183 128.1672 55.5378 33.7800 175.2704 56 V 4.7305 8.3400 126.6286 61.0912 33.6220 173.8993 57 E 4.5873 8.5214 128.5644 54.3690 31.7676 175.4697 58 E 4.2042 8.7216 126.4329 56.3197 29.7821 175.2469 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 A 8.26 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 3.69 0.00 2.14 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.52 7.81 3 T 8.80 4.47 4.24 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 1.26 0.00 0.00 4 I 7.67 3.61 1.86 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 1.42 1.97 1.00 0.00 0.00 5 K 8.20 4.94 0.00 1.66 1.66 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 6 I 9.21 4.52 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.88 0.00 0.00 7 T 7.84 4.79 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 1.19 0.00 0.00 8 Q 9.22 3.99 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 5.86 0.00 0.00 0.00 0.00 0.00 2.58 2.25 0.00 9 T 8.43 3.62 4.24 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 1.20 0.00 0.00 10 R 7.82 4.60 0.00 1.81 1.89 0.00 3.55 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 11 S 8.82 4.13 0.00 4.01 4.02 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 0.00 0.00 0.00 0.00 12 A 8.47 4.68 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 13 I 7.31 3.56 1.89 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 1.13 0.92 0.00 0.00 14 G 8.37 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 15 R 7.55 4.29 0.00 2.12 2.07 0.00 3.32 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 16 L 8.20 4.25 0.00 1.49 1.52 0.90 1.03 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 17 P 0.00 4.26 0.00 2.15 2.10 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 18 K 7.94 4.06 0.00 1.80 1.77 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 19 H 7.96 4.30 0.00 3.42 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.27 3.86 0.00 1.81 1.91 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.70 7.81 21 A 7.98 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 3.88 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 1.29 0.00 0.00 23 L 8.00 3.91 0.00 1.88 1.73 0.85 0.43 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 24 L 7.71 4.27 0.00 1.78 1.76 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.40 0.00 1.64 1.71 0.88 0.89 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 27 G 8.44 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 28 L 7.55 4.27 0.00 1.72 1.63 0.89 0.71 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 29 R 8.04 4.02 0.00 1.79 1.83 0.00 3.25 0.00 0.00 3.21 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 30 R 7.83 4.15 0.00 1.81 1.93 0.00 3.22 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 31 I 8.12 3.75 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 1.35 0.53 0.91 0.00 0.00 32 G 8.59 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.67 4.24 0.00 3.08 3.35 0.00 6.08 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.54 4.15 4.16 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 0.00 0.00 1.18 0.00 0.00 35 V 7.37 3.80 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 0.79 0.00 0.00 0.96 0.00 0.00 36 E 8.69 4.90 0.00 1.94 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 2.23 2.28 0.00 37 R 7.09 4.25 0.00 1.85 1.78 0.00 3.54 0.00 0.00 3.14 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 38 E 6.84 4.78 0.00 1.93 1.82 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 2.03 2.03 0.00 39 D 8.64 4.88 0.00 2.60 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 40 T 7.46 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 1.23 0.00 0.00 41 P 0.00 4.22 0.00 2.03 2.13 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 42 A 7.54 4.08 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 43 I 7.59 3.92 1.86 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 1.29 0.71 0.90 0.00 0.00 44 R 8.23 4.15 0.00 1.75 2.08 0.00 3.25 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 45 G 8.17 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 46 M 7.89 4.25 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.62 0.00 47 I 7.26 3.60 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.88 0.88 0.00 0.00 48 N 8.27 4.18 0.00 2.88 3.00 0.00 0.00 5.97 7.26 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 49 A 7.81 4.19 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 50 V 7.42 4.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.90 0.00 0.00 51 S 8.13 4.17 0.00 4.01 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 0.00 52 F 8.00 4.44 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.59 4.86 0.00 1.87 1.73 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 2.22 0.00 54 V 7.47 5.17 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 0.67 0.00 0.00 0.96 0.00 0.00 55 K 8.62 4.31 0.00 1.79 1.65 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.37 7.81 56 V 8.34 4.73 2.07 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 0.88 0.00 0.00 0.91 0.00 0.00 57 E 8.52 4.59 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 58 E 8.72 4.20 0.00 1.93 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 2.22 2.34 0.00