NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2833 8.4444 120.2253 56.3533 30.7478 175.0996 4 R 4.0047 8.3866 121.5010 54.6674 31.8637 174.4281 5 P 4.1820 0.0000 0.0000 66.1433 32.2448 178.4205 6 L 3.9028 7.8950 116.7381 57.6972 41.5050 179.3573 7 D 4.3161 8.2074 119.2747 57.3558 40.5695 178.8714 8 V 3.5863 7.6157 117.0040 65.9607 31.8804 177.6826 9 I 3.6858 7.5037 119.3102 64.4790 36.9951 177.7822 10 H 4.1979 8.0662 119.0827 59.4385 29.5301 177.2339 11 R 4.1214 7.9131 117.5094 57.9604 30.1344 177.9182 12 S 4.5267 7.6764 114.4319 57.3056 63.3581 173.9478 13 L 4.3358 7.0284 122.2986 56.3640 41.8120 177.6727 14 D 4.5705 9.2235 120.5091 54.6044 39.9168 173.9141 15 K 4.6615 7.8787 118.8762 54.1878 35.7082 174.8786 16 D 5.0376 8.4257 121.3228 54.5849 42.4468 175.3836 17 V 4.9551 9.2209 117.9410 59.7110 36.9861 173.7491 18 L 4.9883 8.9417 125.2474 53.5254 44.2190 175.2689 19 V 4.5446 9.2648 127.8830 61.4423 33.2954 174.3485 20 I 4.3842 8.7706 130.7168 60.4604 38.4853 175.7923 21 L 4.4252 8.7903 129.4361 53.5846 39.7131 175.5950 22 K 4.4860 10.0470 125.0219 56.2457 30.1669 176.2500 23 K 4.6632 7.1283 117.7052 56.0725 40.2257 175.3375 24 G 4.3029 7.9679 102.8420 45.6957 0.0000 170.3815 25 F 5.3359 8.2190 122.3316 56.1340 42.5633 173.4961 26 E 4.9886 8.3796 124.0394 55.0377 34.8490 173.8432 27 F 5.2064 9.1818 119.1360 55.7715 42.9222 174.5957 28 R 4.9702 8.7459 122.4312 54.5839 33.5925 174.6900 29 G 4.3130 8.3762 111.1558 46.3091 0.0000 171.1956 30 R 4.9017 7.8766 120.7330 54.9348 31.4931 175.6174 31 L 4.6684 9.1264 130.5171 55.2980 42.6219 176.7967 32 I 4.5333 8.3268 119.2316 60.5850 39.1199 175.0650 33 G 4.1407 7.3665 108.9123 46.3091 0.0000 171.7224 34 Y 5.1164 7.5050 117.1230 56.7323 39.7331 171.8370 35 D 4.8547 8.2752 119.3226 51.1659 42.6600 176.2216 36 I 3.7360 8.3036 118.4782 63.8368 37.8261 175.8532 37 H 4.5470 8.2911 115.4103 55.9708 28.8087 175.5837 38 L 3.8355 8.3116 118.8671 55.3772 39.5424 174.1639 39 N 4.8694 8.2145 116.1336 53.5216 39.7754 174.5506 40 V 5.0109 8.7222 114.6632 59.6254 36.7926 174.4640 41 V 4.7621 8.6134 122.0164 61.1714 34.2313 174.3544 42 L 5.3907 8.8389 126.8107 52.8729 45.4064 175.2362 43 A 5.0557 8.8488 123.6975 50.4557 22.0711 175.7840 44 D 4.3381 8.6000 118.8319 55.3672 38.9709 172.9203 45 A 5.0841 8.4186 122.1889 50.9910 22.3400 177.4615 46 E 5.2215 8.8741 116.0884 55.2578 33.4557 174.0678 47 M 4.5035 9.2846 123.8017 54.8548 33.9878 174.5870 48 I 4.8399 8.4610 126.9958 59.4595 40.5731 174.3147 49 Q 4.7150 8.5581 127.6694 54.4737 32.0168 174.5671 50 D 4.2314 9.1430 127.0596 55.5415 39.9980 174.5440 51 G 3.9240 8.4596 103.4998 45.3875 0.0000 173.6150 52 E 4.6097 7.6507 119.8642 53.9176 31.5885 175.6377 53 V 4.1501 8.3554 123.7233 63.1429 32.0261 175.7146 54 V 4.4483 8.2911 119.4127 61.3483 33.5333 175.6779 55 K 4.4197 7.5114 117.6485 55.5036 36.3362 174.4553 56 R 4.9723 8.0631 120.3753 54.6844 34.0196 174.5064 57 Y 4.6869 8.9858 119.2145 56.2892 41.8642 176.7719 58 G 3.6930 9.0356 111.0988 48.9480 0.0000 173.3101 59 K 5.2089 7.8688 119.6667 54.7322 35.6055 175.2890 60 I 4.4229 8.6357 126.0238 59.5944 41.9048 173.2425 61 V 4.5653 8.2200 128.8758 61.3621 33.1105 174.5369 62 I 4.3786 8.3872 129.1680 59.3146 39.6151 175.4749 63 R 4.4130 8.5925 126.6252 55.5602 30.8846 177.9125 64 G 3.7184 8.8513 111.6761 48.6091 0.0000 174.8865 65 D 4.3042 8.1952 118.2269 56.5780 41.1894 176.3352 66 N 4.8208 7.7789 113.8824 52.8118 39.1761 174.6963 67 V 4.1685 7.6863 119.6600 62.2067 32.5463 175.2812 68 L 4.3858 9.0260 130.1102 57.4039 42.5693 176.1546 69 A 4.7097 7.5896 117.7295 51.0481 22.8859 174.6600 70 I 4.9866 8.2186 119.1066 59.5860 40.7088 175.0761 71 S 4.7750 9.1392 122.0967 55.5302 65.1198 171.1138 72 P 4.6805 0.0000 0.0000 62.9414 32.0579 176.4283 73 T 4.2099 8.5042 119.9678 63.7565 68.0775 174.6116 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 3 E 8.44 4.28 0.00 1.97 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 2.21 2.30 0.00 4 R 8.39 4.00 0.00 1.83 2.01 0.00 3.13 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 5 P 0.00 4.18 0.00 2.16 2.09 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 6 L 7.90 3.90 0.00 1.62 1.69 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.21 4.32 0.00 2.92 2.71 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 8 V 7.62 3.59 2.16 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 0.83 0.00 0.00 0.91 0.00 0.00 9 I 7.50 3.69 1.50 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.20 0.00 0.00 10 H 8.07 4.20 0.00 3.37 3.47 0.00 5.78 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 11 R 7.91 4.12 0.00 1.96 1.96 0.00 3.21 0.00 0.00 3.44 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 12 S 7.68 4.53 0.00 3.98 3.86 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 13 L 7.03 4.34 0.00 1.72 1.63 1.01 1.11 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 14 D 9.22 4.57 0.00 2.79 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 15 K 7.88 4.66 0.00 1.77 1.69 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.57 7.81 16 D 8.43 5.04 0.00 2.81 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 17 V 9.22 4.96 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 0.74 0.00 0.00 0.99 0.00 0.00 18 L 8.94 4.99 0.00 1.72 1.63 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.26 4.54 2.22 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 1.04 0.00 0.00 0.96 0.00 0.00 20 I 8.77 4.38 1.97 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 1.39 0.49 0.93 0.00 0.00 21 L 8.79 4.43 0.00 1.94 1.85 1.15 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 22 K 10.05 4.49 0.00 1.98 2.06 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.38 7.81 23 K 7.13 4.66 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.44 7.81 24 G 7.97 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 0.00 0.00 0.00 0.00 25 F 8.22 5.34 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.38 4.99 0.00 1.74 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 2.17 2.18 0.00 27 F 9.18 5.21 0.00 2.93 2.78 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 0.00 0.00 0.00 28 R 8.75 4.97 0.00 1.86 1.74 0.00 3.31 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 29 G 8.38 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 0.00 0.00 0.00 0.00 30 R 7.88 4.90 0.00 1.95 1.83 0.00 3.26 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 31 L 9.13 4.67 0.00 1.80 1.74 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.33 4.53 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 1.27 0.84 0.96 0.00 0.00 33 G 7.37 4.14 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 0.00 34 Y 7.50 5.12 0.00 3.12 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 35 D 8.28 4.85 0.00 2.87 2.75 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 36 I 8.30 3.74 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.71 0.00 0.00 37 H 8.29 4.55 0.00 3.53 3.33 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.31 3.84 0.00 1.83 1.84 0.92 0.90 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 39 N 8.21 4.87 0.00 2.98 2.74 0.00 0.00 6.78 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 40 V 8.72 5.01 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 0.84 0.00 0.00 0.91 0.00 0.00 41 V 8.61 4.76 2.15 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 0.95 0.00 0.00 0.90 0.00 0.00 42 L 8.84 5.39 0.00 1.52 1.49 0.91 0.45 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 43 A 8.85 5.06 1.21 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 0.00 0.00 0.00 44 D 8.60 4.34 0.00 2.76 2.71 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 45 A 8.42 5.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 5.22 0.00 2.06 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 2.35 2.29 0.00 47 M 9.28 4.50 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.22 0.00 48 I 8.46 4.84 1.70 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 1.06 0.48 0.85 0.00 0.00 49 Q 8.56 4.72 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.28 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 50 D 9.14 4.23 0.00 2.86 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 51 G 8.46 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 0.00 0.00 0.00 52 E 7.65 4.61 0.00 2.18 1.84 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 2.22 2.35 0.00 53 V 8.36 4.15 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 0.78 0.00 0.00 0.97 0.00 0.00 54 V 8.29 4.45 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 0.83 0.00 0.00 1.00 0.00 0.00 55 K 7.51 4.42 0.00 1.64 1.13 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.44 7.81 56 R 8.06 4.97 0.00 1.51 1.71 0.00 3.11 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 57 Y 8.99 4.69 0.00 2.89 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 58 G 9.04 3.69 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 0.00 0.00 0.00 59 K 7.87 5.21 0.00 1.71 1.63 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.46 7.81 60 I 8.64 4.42 1.46 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.90 0.64 0.00 0.00 61 V 8.22 4.57 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 0.82 0.00 0.00 0.88 0.00 0.00 62 I 8.39 4.38 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.39 0.91 0.00 0.00 63 R 8.59 4.41 0.00 1.88 1.86 0.00 3.13 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 64 G 8.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.30 0.00 2.63 2.74 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 66 N 7.78 4.82 0.00 2.77 2.88 0.00 0.00 6.91 8.75 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 67 V 7.69 4.17 2.23 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 0.80 0.00 0.00 1.03 0.00 0.00 68 L 9.03 4.39 0.00 1.73 1.90 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.59 4.71 1.21 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 0.00 0.00 0.00 70 I 8.22 4.99 1.85 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 1.24 0.72 0.90 0.00 0.00 71 S 9.14 4.77 0.00 3.82 3.67 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 72 P 0.00 4.68 0.00 2.10 2.03 0.00 3.80 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 1.97 1.98 0.00 73 T 8.50 4.21 4.43 0.00 0.00 0.00 0.00 0.00 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