NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1078 8.3101 121.7879 55.3234 34.3815 173.8120 20 A 3.5573 7.9252 119.4958 51.9572 16.5397 174.5502 21 K 4.2648 7.9063 120.1965 55.1871 33.9234 176.5982 22 V 3.4429 8.0965 124.7870 65.2198 30.8860 176.2291 23 K 3.6690 7.3013 119.0256 59.8900 32.9220 176.3361 24 A 4.7074 7.5555 124.7515 51.8928 17.9762 177.3186 25 T 4.6636 7.5015 113.3518 62.4698 71.2272 174.4760 26 L 4.8941 7.4241 120.6702 52.6955 46.4324 178.0273 27 G 4.0632 8.3616 114.5423 45.7743 0.0000 173.0672 28 E 4.3789 8.8078 124.9825 55.4534 30.4996 176.2841 29 F 4.9221 8.1000 119.7651 55.3858 40.8573 174.2537 30 D 4.4793 8.6718 123.4570 53.6846 39.5457 176.0960 31 L 4.6866 7.7775 129.0443 56.0056 40.7570 178.3798 32 R 4.3591 7.9470 121.5284 58.1618 32.0043 175.6239 33 D 4.1736 7.7677 116.9182 54.5443 41.3509 175.6444 34 Y 4.8475 7.4397 127.1614 57.0703 38.8582 176.5573 35 R 4.4898 8.0291 117.6797 58.2194 35.0996 177.1795 36 N 4.6548 8.1221 116.1038 53.8162 33.3139 176.2623 37 V 3.5888 7.5242 116.2661 65.2347 32.0297 178.3581 38 E 4.0925 8.0009 117.2405 59.4309 29.2998 178.8130 39 V 3.5977 8.0595 118.5227 66.0653 31.4717 177.8575 40 L 4.1228 7.9178 117.7579 58.0220 41.5683 179.2275 41 K 3.4893 8.9422 120.5942 59.8857 31.7808 177.8929 42 R 4.0101 7.6671 116.3216 57.9358 30.1870 177.2454 43 F 4.4581 9.2020 117.3336 57.2730 39.5192 175.0346 44 L 4.7714 7.2458 119.7331 53.2112 42.3292 177.4793 45 S 4.3686 8.8266 118.5212 58.6354 63.0451 174.6207 46 E 4.5210 8.6660 119.3641 57.3754 29.3964 177.2517 47 T 4.9002 8.3851 117.0587 63.0109 70.9362 174.8249 48 G 3.5541 7.8524 111.4613 45.4772 0.0000 174.4206 49 K 3.8030 8.0700 119.2034 56.0650 32.4610 175.5334 50 I 4.4061 8.2926 124.0026 60.6947 36.9002 175.4941 51 L 4.1005 8.2449 127.2100 54.4876 41.0022 176.0214 52 P 4.5142 0.0000 0.0000 62.8107 32.3000 176.8185 53 R 4.2188 8.5716 117.5610 58.1055 29.4335 177.4743 54 R 4.1230 6.9489 116.3831 58.6390 30.7432 178.6035 55 R 4.0426 7.9934 118.3343 58.9797 30.9174 178.7280 56 T 4.0757 7.9603 106.3989 62.9609 70.0495 176.4230 57 G 3.7022 8.3544 108.7782 46.1495 0.0000 172.8414 58 L 4.5897 7.6892 120.0562 53.2899 44.5118 176.9823 59 S 4.5353 8.3851 112.8210 57.7638 64.5324 175.0655 60 A 3.9801 8.4193 125.8369 55.1934 17.9827 179.6963 61 K 3.7369 7.9524 117.6177 59.4011 32.4854 178.3768 62 E 3.8551 8.1652 118.2546 59.7144 29.4679 178.9417 63 Q 3.9657 8.1908 119.2868 59.8981 28.9092 178.9213 64 R 3.9142 7.6052 118.7273 59.0463 29.8078 178.8936 65 I 3.5976 7.9107 119.4522 65.2203 37.2065 177.4152 66 L 4.0093 8.4488 121.6921 57.1079 41.8338 178.2993 67 A 4.0364 8.4369 120.2605 55.5862 18.5975 179.8816 68 K 3.9542 8.3597 117.0318 59.7727 32.2219 179.5667 69 T 4.1459 7.6024 108.3498 64.1958 68.9198 176.8955 70 I 3.6864 8.2602 123.5743 64.1306 36.9488 177.9926 71 K 3.9938 8.1756 118.9326 60.1151 32.2834 178.6707 72 R 3.9265 7.8793 116.9935 59.7246 30.0295 178.6324 73 A 4.0797 8.0417 119.3820 55.5784 18.2132 179.7857 74 R 4.2493 7.7872 116.3934 58.2952 30.4657 178.6521 75 I 4.1287 8.0144 120.2118 63.4688 37.2833 177.3146 76 L 4.3052 7.7713 117.4624 54.4468 41.0127 178.6353 77 G 3.8867 7.6913 105.7734 46.0170 0.0000 175.6134 78 L 4.0339 7.2886 119.5027 57.1734 42.1676 177.4117 79 L 4.3489 7.4154 118.3000 53.2558 42.9138 175.4473 80 P 4.8147 0.0000 0.0000 62.1296 33.3131 175.0389 81 F 5.1404 8.4413 114.2006 59.5237 40.9619 175.4115 82 T 5.3757 7.3568 112.9838 63.6189 72.7129 173.2475 83 E 4.7790 8.3889 114.8724 55.5361 31.6734 175.9136 84 K 3.9823 9.0582 124.6062 56.6845 32.9360 176.6974 85 L 4.4219 8.3582 124.5660 53.9300 43.6206 175.5483 86 V 4.2840 7.9527 120.3683 61.9898 33.6254 175.5311 87 R 3.3183 8.7102 119.4105 57.7147 29.7798 175.8460 88 K 4.0308 8.1630 118.1782 57.2087 31.9925 175.1054 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 19 K 8.31 4.11 0.00 1.71 1.90 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.93 3.56 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.26 0.00 1.77 1.79 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.43 7.81 22 V 8.10 3.44 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 0.00 0.00 0.87 0.00 0.00 23 K 7.30 3.67 0.00 2.27 1.77 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.51 1.55 7.81 24 A 7.56 4.71 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 25 T 7.50 4.66 4.29 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 1.14 0.00 0.00 26 L 7.42 4.89 0.00 1.58 1.38 0.41 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.36 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.81 4.38 0.00 1.98 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 2.28 2.28 0.00 29 F 8.10 4.92 0.00 3.14 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 30 D 8.67 4.48 0.00 2.77 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 31 L 7.78 4.69 0.00 1.79 1.44 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.95 4.36 0.00 1.75 2.18 0.00 3.33 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 33 D 7.77 4.17 0.00 2.83 2.68 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 0.00 0.00 0.00 0.00 34 Y 7.44 4.85 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.49 0.00 1.78 1.91 0.00 3.19 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.21 0.00 36 N 8.12 4.65 0.00 2.90 3.00 0.00 0.00 6.20 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 37 V 7.52 3.59 2.09 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 0.97 0.00 0.00 0.93 0.00 0.00 38 E 8.00 4.09 0.00 1.91 1.98 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 2.30 2.35 0.00 39 V 8.06 3.60 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 0.59 0.00 0.00 0.91 0.00 0.00 40 L 7.92 4.12 0.00 1.77 1.75 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.94 3.49 0.00 1.92 2.02 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 42 R 7.67 4.01 0.00 1.74 1.75 0.00 3.01 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 43 F 9.20 4.46 0.00 3.21 3.15 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 44 L 7.25 4.77 0.00 1.64 1.76 0.97 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.83 4.37 0.00 3.97 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 46 E 8.67 4.52 0.00 1.99 2.02 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 2.30 2.27 0.00 47 T 8.39 4.90 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 48 G 7.85 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.80 0.00 1.83 1.81 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.48 7.81 50 I 8.29 4.41 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.96 0.00 0.00 51 L 8.24 4.10 0.00 1.69 1.70 0.93 1.46 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 52 P 0.00 4.51 0.00 2.13 2.25 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 53 R 8.57 4.22 0.00 1.94 1.99 0.00 3.31 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 54 R 6.95 4.12 0.00 1.91 1.86 0.00 3.21 0.00 0.00 3.18 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 55 R 7.99 4.04 0.00 1.85 2.00 0.00 3.27 0.00 0.00 3.39 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 56 T 7.96 4.08 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 57 G 8.35 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.59 0.00 1.68 1.69 1.20 0.97 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 8.39 4.54 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.42 3.98 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 7.95 3.74 0.00 1.83 1.78 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 8.17 3.86 0.00 2.13 1.98 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 2.35 2.37 0.00 63 Q 8.19 3.97 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 64 R 7.61 3.91 0.00 2.01 1.92 0.00 3.22 0.00 0.00 3.17 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 65 I 7.91 3.60 1.94 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 1.39 1.32 0.89 0.00 0.00 66 L 8.45 4.01 0.00 1.63 1.73 0.47 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.44 4.04 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 8.36 3.95 0.00 1.85 1.87 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 69 T 7.60 4.15 4.35 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 1.36 0.00 0.00 70 I 8.26 3.69 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.97 0.00 0.00 71 K 8.18 3.99 0.00 1.97 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.69 7.81 72 R 7.88 3.93 0.00 2.07 1.75 0.00 3.11 0.00 0.00 2.77 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 73 A 8.04 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.25 0.00 2.18 1.96 0.00 3.23 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 75 I 8.01 4.13 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.26 0.91 0.00 0.00 76 L 7.77 4.31 0.00 1.84 1.68 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 4.03 0.00 1.61 1.69 0.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.42 4.35 0.00 1.69 1.57 0.96 0.97 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 80 P 0.00 4.81 0.00 2.19 2.06 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 81 F 8.44 5.14 0.00 3.01 2.93 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 0.00 82 T 7.36 5.38 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 1.24 0.00 0.00 83 E 8.39 4.78 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 84 K 9.06 3.98 0.00 1.67 1.81 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.41 7.81 85 L 8.36 4.42 0.00 1.58 1.58 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.95 4.28 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 0.92 0.00 0.00 0.93 0.00 0.00 87 R 8.71 3.32 0.00 2.02 1.93 0.00 3.29 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 K 8.16 4.03 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.40 7.81