NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1656 8.2644 123.5814 51.4567 19.8115 176.3479 2 K 3.6819 8.4544 123.1236 56.6686 31.5050 171.1682 3 G 3.9524 8.8532 122.4208 44.6598 0.0000 171.1555 4 I 3.8198 8.1615 124.7647 61.6175 36.0699 174.2274 5 R 4.7957 7.3378 122.1673 57.4901 37.7400 176.7525 6 E 4.2062 7.7239 117.8303 55.2612 30.6692 176.5992 7 K 4.0207 8.3542 118.9728 56.8095 31.6540 177.1593 8 I 3.9294 7.6065 124.1650 60.4059 38.7962 176.9683 9 K 4.3220 8.2662 128.2122 54.9655 30.1913 175.7097 10 L 3.9404 7.8391 121.1207 54.8274 42.4946 178.8893 11 V 3.3113 8.7619 122.7208 64.8397 31.4394 176.3146 12 S 3.4114 7.3769 106.6570 59.6544 59.6695 171.6859 13 S 4.5863 8.1280 121.4728 57.3431 65.2858 173.5842 14 A 3.6136 7.2195 124.7315 50.8224 18.1346 178.1945 15 G 3.9891 7.9272 104.3601 48.5044 0.0000 173.5548 16 T 3.4100 8.6332 108.1809 62.3059 65.6129 171.6210 17 G 4.0853 6.9066 122.4849 44.4343 0.0000 171.4887 18 H 4.6414 8.2481 120.9310 54.5039 29.7069 173.2711 19 F 3.8450 7.5606 121.8205 58.3910 39.8735 173.2410 20 Y 4.3274 8.1771 118.5212 59.0738 40.1421 172.9349 21 T 3.2765 8.2819 129.3137 62.9835 65.7803 172.0733 22 T 3.9298 9.1575 117.0760 65.9371 69.2184 177.5044 23 T 3.6355 6.7551 117.9706 61.5435 64.2292 172.3678 24 K 4.3761 7.7518 122.4361 56.7968 34.7830 177.1013 25 N 5.0322 8.2742 117.3133 52.2954 42.7913 172.9283 26 K 4.8695 8.8240 119.4577 55.7856 35.1566 176.4621 27 R 5.3121 8.2221 116.2991 55.3788 30.4484 176.6627 28 T 3.9879 8.0391 117.9340 66.6065 68.6829 176.0702 29 K 4.2957 7.9791 119.1589 56.9203 33.4762 174.5357 30 P 5.1037 0.0000 0.0000 61.0945 34.4141 173.6710 31 E 4.7268 8.4189 115.5485 57.1337 31.2135 172.7016 32 K 4.0526 8.6555 119.9928 57.7774 30.4358 176.1198 33 L 4.3326 7.5663 121.9953 54.4266 41.7625 177.3026 34 E 4.7615 8.2846 123.7508 55.1931 30.8460 173.0264 35 L 5.8152 7.7716 121.1437 51.9503 44.8006 176.7367 36 K 4.4044 7.8375 117.1314 55.9586 34.6079 173.8259 37 K 4.1740 7.9764 114.6229 54.4359 34.7150 172.3157 38 F 3.1171 7.5762 126.5165 57.3733 40.5223 174.0709 39 D 5.1218 7.6989 125.4317 50.8075 41.2229 174.1833 40 P 4.9043 0.0000 0.0000 62.2034 32.0046 176.6562 41 V 3.8260 9.5472 116.5388 64.0002 31.7113 176.5618 42 V 4.3925 7.6214 116.5476 62.0197 34.1870 177.1475 43 R 3.9304 8.4887 121.3266 57.1182 27.5356 174.9617 44 Q 4.5212 8.3246 114.1866 58.0127 32.1134 174.5004 45 H 4.5847 8.0022 117.4156 54.4708 31.9290 173.7347 46 V 3.2589 9.1213 127.3888 62.5813 32.5324 173.5547 47 I 3.0461 8.4886 117.2894 63.0420 34.6789 171.2842 48 Y 4.0718 8.8196 117.0988 59.0736 33.7994 169.1569 49 K 5.0731 7.9518 117.3310 54.5480 33.6104 174.4640 50 E 3.8280 8.0748 124.3878 55.7610 30.6495 174.3477 51 A 4.6866 8.1608 127.1005 51.2701 20.3165 176.2494 52 K 4.6467 8.3249 114.7099 55.1281 35.5560 176.4897 53 I 4.4695 7.9883 124.4998 59.2181 39.4739 175.7546 54 K 4.1182 8.4503 122.7850 56.8129 32.0583 176.7007 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 4.17 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 2 K 8.45 3.68 0.00 1.79 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.56 7.81 3 G 8.85 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 4 I 8.16 3.82 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 1.41 0.85 0.91 0.00 0.00 5 R 7.34 4.80 0.00 1.79 1.81 0.00 3.31 0.00 0.00 3.88 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 6 E 7.72 4.21 0.00 1.96 1.91 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 2.31 2.33 0.00 7 K 8.35 4.02 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.43 7.81 8 I 7.61 3.93 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 1.18 1.01 0.97 0.00 0.00 9 K 8.27 4.32 0.00 1.75 1.73 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.46 7.81 10 L 7.84 3.94 0.00 1.74 1.61 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.76 3.31 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 0.73 0.00 0.00 0.90 0.00 0.00 12 S 7.38 3.41 0.00 4.37 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 0.00 13 S 8.13 4.59 0.00 3.81 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 14 A 7.22 3.61 -0.14 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 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.93 3.99 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 0.00 0.00 0.00 16 T 8.63 3.41 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 1.29 0.00 0.00 17 G 6.91 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 H 8.25 4.64 0.00 3.10 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.56 3.85 0.00 2.86 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.18 4.33 0.00 3.03 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 21 T 8.28 3.28 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 1.20 0.00 0.00 22 T 9.16 3.93 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 1.23 0.00 0.00 23 T 6.76 3.64 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 1.26 0.00 0.00 24 K 7.75 4.38 0.00 1.96 1.98 0.00 1.42 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.54 7.81 25 N 8.27 5.03 0.00 2.69 2.71 0.00 0.00 6.40 7.68 0.00 0.00 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 K 8.82 4.87 0.00 1.71 1.77 0.00 1.40 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.46 7.81 27 R 8.22 5.31 0.00 1.89 2.00 0.00 2.81 0.00 0.00 3.88 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 28 T 8.04 3.99 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 1.21 0.00 0.00 29 K 7.98 4.30 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.35 7.81 30 P 0.00 5.10 0.00 2.24 2.10 0.00 3.46 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 31 E 8.42 4.73 0.00 2.05 1.97 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 2.18 2.26 0.00 32 K 8.66 4.05 0.00 1.94 1.99 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.45 7.81 33 L 7.57 4.33 0.00 1.62 1.64 0.93 0.80 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 34 E 8.28 4.76 0.00 2.01 1.80 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 2.44 2.40 0.00 35 L 7.77 5.82 0.00 1.68 1.58 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.84 4.40 0.00 1.83 1.74 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.61 7.81 37 K 7.98 4.17 0.00 1.66 1.65 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.25 7.81 38 F 7.58 3.12 0.00 2.87 1.62 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 39 D 7.70 5.12 0.00 2.27 2.27 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 40 P 0.00 4.90 0.00 2.67 2.41 0.00 3.64 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 41 V 9.55 3.83 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 0.72 0.00 0.00 0.63 0.00 0.00 42 V 7.62 4.39 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 0.95 0.00 0.00 43 R 8.49 3.93 0.00 2.09 1.94 0.00 3.39 0.00 0.00 3.25 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 44 Q 8.32 4.52 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 45 H 8.00 4.58 0.00 3.07 3.00 0.00 5.91 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.12 3.26 2.12 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 0.74 0.00 0.00 0.96 0.00 0.00 47 I 8.49 3.05 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.78 0.96 0.00 0.00 48 Y 8.82 4.07 0.00 3.17 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 49 K 7.95 5.07 0.00 1.81 1.87 0.00 1.20 0.00 0.00 2.28 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 50 E 8.07 3.83 0.00 2.12 1.97 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 2.18 2.28 0.00 51 A 8.16 4.69 1.22 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 0.00 0.00 0.00 52 K 8.32 4.65 0.00 1.64 1.62 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.48 7.81 53 I 7.99 4.47 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 1.28 0.73 0.90 0.00 0.00 54 K 8.45 4.12 0.00 1.68 1.68 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.48 7.81