NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3420 0.0000 0.0000 62.8584 32.5895 175.6315 17 S 4.1921 8.3109 113.1221 57.0829 64.7013 173.0732 18 R 4.6826 9.2680 130.2979 55.2546 30.3975 175.5511 19 K 4.2765 7.4309 112.6107 54.6172 34.4590 174.9156 20 A 3.5434 7.7613 125.4913 51.5946 15.2460 176.8522 21 K 4.3422 8.1818 119.6213 55.6990 35.2254 178.2547 22 V 3.2969 9.3228 122.1272 64.4105 29.7911 181.5529 23 K 4.1853 5.6600 113.8473 58.0114 36.0216 174.2198 24 A 4.1728 8.0855 124.6571 55.6311 18.6820 178.8024 25 T 4.2743 7.9769 106.8031 58.1589 67.4149 173.5981 26 L 4.5283 7.0512 126.7046 55.6382 45.7999 174.3115 27 G 4.1479 8.6543 116.7097 45.6029 0.0000 172.7204 28 E 4.4733 8.7071 121.4423 54.5983 31.2603 175.3305 29 F 4.8878 7.5009 115.9761 55.4659 41.5586 172.7754 30 D 4.7943 8.6738 119.7029 52.4887 41.3619 176.8174 31 L 4.2639 8.5768 127.4494 57.4531 41.8954 177.9065 32 R 4.2236 8.1898 117.0502 56.1936 29.8463 175.1833 33 D 4.7696 7.8175 116.8361 53.2568 40.5365 175.0892 34 Y 4.7278 8.5822 126.8252 57.2268 38.6410 176.5648 35 R 4.4529 7.1130 117.4629 56.7654 33.7715 175.1561 36 N 4.5982 8.0840 118.2998 57.6821 38.8175 177.9918 37 V 3.2822 7.0387 119.8170 65.4618 32.8736 175.7667 38 E 3.9586 8.1264 117.2143 59.5089 29.6095 179.6013 39 V 3.6938 8.2548 119.2049 65.3696 31.4688 177.6952 40 L 3.7566 8.3876 119.0777 57.4248 41.3024 180.3919 41 K 4.7531 8.8870 118.9807 59.7626 32.8675 178.4679 42 R 3.6969 7.6066 117.1823 58.9630 30.2712 177.2314 43 F 4.5285 9.5247 116.1731 57.0069 39.1279 175.0287 44 L 5.1611 7.8351 121.4531 52.7611 43.6174 177.2569 45 S 4.5109 8.3327 116.3570 57.5692 64.7054 173.4491 46 E 4.0512 8.8173 118.6629 59.9264 29.4102 178.0806 47 T 4.3500 7.7092 114.4647 62.2894 69.4564 175.9869 48 G 3.8167 8.7979 112.3129 46.9284 0.0000 173.7661 49 K 3.9825 8.2817 121.0689 56.7187 33.2002 176.3071 50 I 4.1204 8.3617 125.8079 60.9697 37.5559 175.9941 51 L 4.2164 8.8394 128.9468 54.3001 42.1585 176.0280 52 P 4.4875 0.0000 0.0000 62.3213 32.4870 177.2470 53 R 4.5268 9.1050 118.9617 58.8443 30.0401 178.9489 54 R 4.0578 8.0893 112.2738 58.3505 29.6381 176.2177 55 R 4.4480 8.5029 116.0173 58.1296 32.1850 177.5064 56 T 3.8640 8.1140 107.6355 64.6811 68.4095 175.7275 57 G 3.9088 8.3873 108.1400 45.1579 0.0000 172.9417 58 L 5.0673 7.6683 120.7880 52.8798 44.5036 176.1461 59 S 4.8445 8.2564 113.3436 56.8857 66.5221 174.4949 60 A 3.9467 8.5920 124.8238 55.6630 17.8222 179.8541 61 K 4.0460 7.9559 117.2451 59.7217 32.3234 178.6579 62 E 3.9662 8.0857 118.9401 59.2937 29.3535 178.8829 63 Q 3.6366 8.4472 119.3268 58.6546 29.2677 177.9521 64 R 4.3169 7.5436 117.0739 58.0260 30.8827 177.5663 65 I 3.8555 8.4541 120.2330 63.7715 37.3128 176.5417 66 L 3.9582 8.2032 121.7149 56.1949 41.7509 178.5292 67 A 3.8454 7.6519 119.4544 55.1262 18.4554 179.2206 68 K 3.7941 7.6495 117.9397 60.0598 32.2610 179.1062 69 T 3.9101 7.8733 109.6916 64.6964 68.6507 176.1611 70 I 3.6173 7.8581 122.7855 64.4006 37.0759 178.3777 71 K 3.8038 8.0061 118.8260 59.4027 31.7721 179.7094 72 R 3.8361 7.5838 117.0940 59.2318 30.0137 178.4919 73 A 4.0903 8.1433 120.6174 55.5813 18.2709 179.7762 74 R 4.0052 7.7183 117.4218 58.9880 29.8574 179.3525 75 I 4.0519 7.2194 118.0890 64.2933 37.1402 177.7123 76 L 4.4413 7.8585 116.6635 53.9734 41.5550 176.9160 77 G 4.0989 8.3755 107.2056 46.9809 0.0000 174.7266 78 L 4.6158 8.2910 119.1608 54.1426 43.3412 176.8795 79 L 4.8840 7.4200 117.6159 51.7680 45.5642 173.5417 80 P 4.7298 0.0000 0.0000 62.4662 32.2003 176.6916 81 F 4.0319 9.0504 121.1592 60.5160 39.3145 175.2890 82 T 4.5359 7.3862 111.0596 61.4281 69.8139 171.8458 83 E 4.7784 8.3214 123.5709 54.2689 33.5381 175.6003 84 K 4.0911 8.5128 121.8271 55.8117 32.7426 176.6925 85 L 4.0432 8.4013 126.1580 54.6011 42.1057 176.3328 86 V 3.6065 8.2550 126.9430 63.2548 32.0827 171.1255 87 R 3.9188 9.0633 135.0000 55.6818 30.2322 175.5463 88 K 4.1391 8.3680 124.9536 56.7400 32.4295 175.4492 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 16 P 0.00 4.34 0.00 2.19 2.14 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 17 S 8.31 4.19 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 4.68 0.00 1.80 1.84 0.00 3.36 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 19 K 7.43 4.28 0.00 1.66 1.76 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.43 7.81 20 A 7.76 3.54 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.34 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.70 7.81 22 V 9.32 3.30 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 0.01 0.00 0.00 0.67 0.00 0.00 23 K 5.66 4.19 0.00 2.05 2.14 0.00 2.07 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.52 7.81 24 A 8.09 4.17 1.31 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 0.00 0.00 0.00 25 T 7.98 4.27 4.21 0.00 0.00 0.00 0.00 0.00 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 26 L 7.05 4.53 0.00 1.70 1.88 0.88 1.21 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 27 G 8.65 4.15 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 0.00 28 E 8.71 4.47 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 29 F 7.50 4.89 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.67 4.79 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.58 4.26 0.00 1.71 1.75 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.19 4.22 0.00 1.80 2.22 0.00 3.24 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 33 D 7.82 4.77 0.00 2.89 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 34 Y 8.58 4.73 0.00 3.14 2.97 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 35 R 7.11 4.45 0.00 1.64 1.74 0.00 2.97 0.00 0.00 2.90 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 36 N 8.08 4.60 0.00 2.97 2.69 0.00 0.00 6.70 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 37 V 7.04 3.28 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 0.95 0.00 0.00 0.95 0.00 0.00 38 E 8.13 3.96 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 39 V 8.25 3.69 2.11 0.00 0.00 0.00 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 0.56 0.00 0.00 40 L 8.39 3.76 0.00 1.81 1.69 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.89 4.75 0.00 1.94 1.75 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.53 7.81 42 R 7.61 3.70 0.00 2.01 1.54 0.00 3.19 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 43 F 9.52 4.53 0.00 2.93 3.08 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 0.00 0.00 0.00 0.00 44 L 7.84 5.16 0.00 1.70 1.57 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.33 4.51 0.00 3.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 4.05 0.00 1.98 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 0.00 2.31 2.29 0.00 47 T 7.71 4.35 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 G 8.80 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 49 K 8.28 3.98 0.00 1.72 1.78 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 50 I 8.36 4.12 1.88 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 1.33 0.45 0.93 0.00 0.00 51 L 8.84 4.22 0.00 1.71 1.68 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.49 0.00 2.23 2.19 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 53 R 9.10 4.53 0.00 1.92 2.08 0.00 3.61 0.00 0.00 3.37 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.64 0.00 54 R 8.09 4.06 0.00 1.92 2.10 0.00 2.98 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 55 R 8.50 4.45 0.00 1.93 1.93 0.00 3.33 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 1.53 1.67 0.00 56 T 8.11 3.86 4.53 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 1.55 0.00 0.00 57 G 8.39 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.67 5.07 0.00 1.67 1.78 1.26 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.26 4.84 0.00 4.03 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 60 A 8.59 3.95 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 61 K 7.96 4.05 0.00 1.83 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 8.09 3.97 0.00 2.27 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 2.30 2.30 0.00 63 Q 8.45 3.64 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 64 R 7.54 4.32 0.00 2.15 2.03 0.00 3.12 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 65 I 8.45 3.86 1.93 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 1.39 1.19 0.91 0.00 0.00 66 L 8.20 3.96 0.00 1.60 1.42 0.25 0.50 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 67 A 7.65 3.85 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.65 3.79 0.00 2.14 1.99 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 69 T 7.87 3.91 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 1.36 0.00 0.00 70 I 7.86 3.62 1.96 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 1.46 0.44 0.83 0.00 0.00 71 K 8.01 3.80 0.00 1.93 1.82 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.65 7.81 72 R 7.58 3.84 0.00 2.05 1.85 0.00 3.00 0.00 0.00 2.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 73 A 8.14 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.72 4.01 0.00 1.64 0.82 0.00 2.72 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.48 0.00 75 I 7.22 4.05 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.79 0.98 0.00 0.00 76 L 7.86 4.44 0.00 1.87 1.76 1.19 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.38 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 0.00 0.00 0.00 78 L 8.29 4.62 0.00 1.73 1.69 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.42 4.88 0.00 1.57 1.42 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.73 0.00 2.21 2.08 0.00 3.74 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 1.97 1.98 0.00 81 F 9.05 4.03 0.00 3.05 3.20 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 0.00 82 T 7.39 4.54 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 83 E 8.32 4.78 0.00 2.02 1.78 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 2.23 2.26 0.00 84 K 8.51 4.09 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.40 4.04 0.00 1.59 1.60 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.26 3.61 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 0.82 0.00 0.00 0.93 0.00 0.00 87 R 9.06 3.92 0.00 1.99 1.97 0.00 3.41 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 88 K 8.37 4.14 0.00 1.69 1.58 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.42 7.81