NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5703 8.3493 120.3150 53.5372 40.4630 174.2078 7 T 3.9846 7.4169 109.8385 60.5037 70.2221 172.1342 8 P 4.4862 0.0000 0.0000 62.7190 32.8185 177.4163 9 T 4.5118 8.0773 108.5856 59.4982 70.8195 173.8665 10 A 4.1790 8.6693 129.5189 52.6120 19.0370 176.6497 11 C 4.8483 8.2789 117.1186 55.9034 44.6195 173.9517 12 C 5.0354 7.9596 117.2930 55.4243 42.6717 174.3642 13 F 4.5509 8.2838 117.6311 56.6184 41.2091 175.1821 14 S 4.4595 7.6731 113.4277 56.3173 65.7926 172.6137 15 Y 4.8872 8.0134 119.6600 56.0913 39.9220 175.8116 16 T 4.1735 8.5234 118.8919 62.6472 67.9142 173.7733 17 S 4.8151 8.6597 117.6941 57.4921 64.6355 173.8524 18 R 4.3995 7.7234 117.9603 53.7451 30.9823 175.6892 19 Q 2.0000 7.9506 123.1713 55.4886 29.3072 175.4279 20 I 4.0676 6.9045 126.0813 59.4076 38.2600 173.4810 21 P 4.0437 0.0000 0.0000 62.8756 31.5516 176.5546 22 Q 3.3054 8.9567 124.9423 59.1269 28.8557 178.2155 23 N 4.4391 7.6481 113.0331 55.1210 38.9796 175.9001 24 F 4.7586 8.2258 117.3386 59.1232 39.3963 175.0056 25 I 4.5690 7.5010 122.0044 60.1350 38.1077 174.9706 26 A 4.5917 8.9925 127.2865 53.7930 20.2571 176.3106 27 A 4.9430 7.7843 114.6896 51.6334 23.0737 174.0559 28 Y 5.5119 8.5486 115.6357 56.1986 41.4266 174.3363 29 F 4.2802 8.5105 113.7837 55.2235 41.6715 173.0054 30 E 4.7642 8.7086 121.7329 55.6081 30.6850 175.8831 31 T 4.2164 8.8483 117.6231 61.6074 69.8248 173.9446 32 S 3.9565 8.7212 119.2663 57.5406 63.4431 174.8436 33 S 4.4495 8.5437 120.2827 59.6012 63.2175 175.2125 34 Q 4.1168 7.9197 120.6994 58.8471 28.6588 176.4517 35 C 4.4692 8.0406 116.3801 56.4904 40.6317 174.9729 36 S 3.8163 8.7033 118.1592 60.4549 62.7775 174.4052 37 K 4.7117 7.1685 118.6639 53.5282 35.7218 174.3419 38 P 4.4205 0.0000 0.0000 62.9224 32.1646 176.1777 39 G 4.2607 8.4272 107.5391 44.9274 0.0000 171.6383 40 V 4.5789 8.0362 121.9644 60.6857 34.3855 174.2903 41 I 4.5002 8.1390 129.3168 59.5196 38.8895 174.8661 42 F 5.1351 8.9694 127.4208 56.8892 40.6912 174.7779 43 L 5.2096 9.1950 126.0625 53.4203 43.8343 176.0792 44 T 4.6544 8.8425 117.4222 61.3598 70.1742 175.2178 45 K 4.3552 9.1611 119.9506 57.0725 32.6025 177.9315 46 R 4.5439 8.0629 119.8999 55.9036 30.7762 176.2598 47 S 3.7532 7.8621 110.3570 59.4847 61.2877 172.3577 48 R 4.4742 7.4024 118.8240 55.7642 31.5357 174.8967 49 Q 5.3262 8.6482 123.4134 54.1117 31.4345 175.4336 50 V 4.5602 8.8640 122.9984 60.1845 34.9890 174.1581 51 C 5.0673 9.0054 122.4096 56.9281 39.4727 172.4107 52 A 5.1809 8.8728 123.1896 50.1157 23.1478 175.3488 53 D 3.3700 8.3752 119.6449 52.9205 40.5233 175.3810 54 P 4.2496 0.0000 0.0000 64.3448 31.4018 177.5651 55 S 4.3795 7.6582 111.2738 58.4935 63.7913 174.5579 56 E 4.3372 7.9606 122.3329 55.4012 31.6142 176.8251 57 E 3.8970 8.5200 122.5564 59.3253 29.9587 179.2363 58 W 4.1173 8.2747 116.2919 59.4397 27.9023 178.2208 59 V 2.8253 6.4321 118.4892 65.7033 30.9500 177.6739 60 Q 3.8772 7.5691 119.3896 58.4552 28.8523 177.5052 61 K 3.8521 8.1910 121.2043 60.0234 32.2288 178.1915 62 Y 4.2171 8.3902 116.8733 61.1180 37.7088 178.8969 63 V 3.1237 7.8963 119.1515 65.7468 31.4987 177.9045 64 S 4.1081 8.3238 113.2296 61.6495 62.0415 175.8201 65 D 4.3464 7.8759 119.9457 57.4861 40.6311 178.4239 66 L 4.1275 7.6464 118.2920 57.6084 41.6106 179.1688 67 E 4.2931 7.4549 116.0295 58.7459 30.0246 176.4426 68 L 4.2175 8.0157 122.0531 54.9776 41.7974 176.7968 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 6 D 8.35 4.57 0.00 2.78 2.80 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 7 T 7.42 3.98 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 1.20 0.00 0.00 8 P 0.00 4.49 0.00 2.08 2.06 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 9 T 8.08 4.51 4.26 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 1.22 0.00 0.00 10 A 8.67 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.28 4.85 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.96 5.04 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.55 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 4.46 0.00 3.87 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 15 Y 8.01 4.89 0.00 3.03 2.94 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 0.00 0.00 0.00 16 T 8.52 4.17 4.44 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 1.68 0.00 0.00 17 S 8.66 4.82 0.00 4.02 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 18 R 7.72 4.40 0.00 1.78 1.89 0.00 3.03 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 19 Q 7.95 2.00 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 20 I 6.90 4.07 2.11 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 1.14 0.00 0.00 21 P 0.00 4.04 0.00 1.39 1.67 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 22 Q 8.96 3.31 0.00 1.61 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.94 0.00 0.00 0.00 0.00 0.00 2.00 1.25 0.00 23 N 7.65 4.44 0.00 2.46 2.70 0.00 0.00 6.94 7.45 0.00 0.00 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 F 8.23 4.76 0.00 3.25 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 25 I 7.50 4.57 1.85 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.95 0.00 0.00 26 A 8.99 4.59 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.94 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 28 Y 8.55 5.51 0.00 2.82 3.07 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 0.00 0.00 0.00 0.00 29 F 8.51 4.28 0.00 2.79 2.79 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 0.00 0.00 0.00 30 E 8.71 4.76 0.00 2.08 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 2.26 2.38 0.00 31 T 8.85 4.22 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 32 S 8.72 3.96 0.00 3.90 3.79 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 0.00 0.00 0.00 33 S 8.54 4.45 0.00 4.02 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 Q 7.92 4.12 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 35 C 8.04 4.47 0.00 3.13 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.70 3.82 0.00 4.06 4.10 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 0.00 0.00 0.00 0.00 37 K 7.17 4.71 0.00 1.69 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.41 7.81 38 P 0.00 4.42 0.00 1.98 1.94 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 39 G 8.43 4.26 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 0.00 40 V 8.04 4.58 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 0.08 0.00 0.00 0.69 0.00 0.00 41 I 8.14 4.50 0.70 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.27 0.72 0.00 0.00 42 F 8.97 5.14 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 43 L 9.19 5.21 0.00 1.86 1.67 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.84 4.65 4.28 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 1.35 0.00 0.00 45 K 9.16 4.36 0.00 1.76 1.94 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.57 7.81 46 R 8.06 4.54 0.00 1.81 1.84 0.00 3.15 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 47 S 7.86 3.75 0.00 4.04 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 48 R 7.40 4.47 0.00 2.00 1.82 0.00 3.03 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 49 Q 8.65 5.33 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.47 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 V 8.86 4.56 2.20 0.00 0.00 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 1.09 0.00 0.00 51 C 9.01 5.07 0.00 3.05 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 52 A 8.87 5.18 1.15 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 0.00 0.00 53 D 8.38 3.37 0.00 2.29 2.29 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 54 P 0.00 4.25 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 55 S 7.66 4.38 0.00 3.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.96 4.34 0.00 1.79 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 2.24 2.25 0.00 57 E 8.52 3.90 0.00 2.05 1.99 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 2.39 2.36 0.00 58 W 8.27 4.12 0.00 3.27 3.22 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 59 V 6.43 2.83 1.71 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 0.66 0.00 0.00 -0.46 0.00 0.00 60 Q 7.57 3.88 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 61 K 8.19 3.85 0.00 1.99 2.05 0.00 1.84 0.00 0.00 1.97 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.60 7.81 62 Y 8.39 4.22 0.00 3.24 2.94 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 0.00 0.00 0.00 63 V 7.90 3.12 2.01 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 0.43 0.00 0.00 0.66 0.00 0.00 64 S 8.32 4.11 0.00 3.89 4.03 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 65 D 7.88 4.35 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.65 4.13 0.00 1.81 1.91 1.03 1.10 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 67 E 7.45 4.29 0.00 2.14 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 0.00 2.52 2.54 0.00 68 L 8.02 4.22 0.00 1.62 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00