NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2642 8.1133 117.2706 56.3548 29.9481 176.1924 11 T 3.6551 8.3290 112.4413 64.8780 68.4704 174.3156 12 G 3.7593 7.6179 108.3066 47.2943 0.0000 175.4770 13 R 4.0610 7.6575 116.8060 58.6050 29.8386 177.7942 14 F 5.0002 8.3252 117.8811 58.2472 39.3623 176.5366 15 G 3.8113 8.1383 107.9545 46.5835 0.0000 172.5534 16 P 4.7113 0.0000 0.0000 62.7252 31.7019 176.0702 17 R 4.1216 7.3791 117.3391 56.6318 31.5231 176.2286 18 Y 3.9701 8.1217 116.8440 57.3293 36.6514 170.9244 19 G 4.0364 7.9252 103.4617 45.1381 0.0000 173.3672 20 L 4.0362 8.0615 117.5589 57.7098 41.4314 179.7421 21 K 3.8592 7.9908 117.1782 59.9166 32.2595 178.8983 22 I 3.6723 7.8866 119.3809 64.7803 37.0907 178.3517 23 R 4.4100 7.8339 117.2207 57.9965 29.6072 178.7979 24 V 3.6575 8.2647 120.0778 65.9749 31.4113 178.0845 25 R 4.0223 8.1618 117.8774 58.7837 29.8316 179.1107 26 V 3.5361 7.6778 117.8079 65.6898 31.5339 178.0434 27 A 3.9501 8.0701 120.5980 55.1875 18.4119 179.0873 28 D 4.2805 8.1006 117.4050 57.6741 40.8901 179.3039 29 V 3.5707 7.9724 118.5988 66.2943 31.5614 178.0164 30 E 4.0966 8.5189 118.3372 58.9338 29.0013 179.2464 31 I 3.7109 8.1488 118.7743 63.9696 38.4366 177.7001 32 K 4.1487 7.9711 118.9395 59.7126 31.6858 178.4427 33 H 5.0552 8.1633 118.8067 58.7470 29.8817 176.5456 34 K 4.4055 8.2884 116.5051 55.6680 32.4748 177.3371 35 K 4.1445 7.1121 119.1910 55.8905 32.6401 176.8327 36 K 4.1306 8.2935 120.6041 56.7872 32.9285 176.3624 37 H 5.0020 8.5052 119.5921 53.7795 32.4077 173.1201 38 K 4.5475 8.6170 122.0840 55.6042 32.4161 176.4101 39 C 4.1025 9.0156 126.9688 59.6115 31.4697 172.3248 40 P 4.3547 0.0000 0.0000 65.5709 30.6924 177.5959 41 V 3.4046 6.8968 117.5544 65.1276 32.1608 178.9170 42 C 4.5303 7.5473 119.5961 57.5897 31.9545 173.7524 43 G 4.1500 8.6000 108.4222 45.5214 0.0000 172.9955 44 F 3.9606 8.1738 119.2282 56.8327 40.1041 175.6025 45 K 4.3516 7.8825 123.1829 54.9151 29.8513 176.7701 46 K 4.8358 7.6508 118.5367 56.0929 34.2681 176.8540 47 L 5.2099 8.0648 119.9532 53.5898 43.0621 176.9456 48 K 4.9888 9.4547 122.9142 54.1908 36.4761 175.9878 49 R 3.4660 8.8396 123.3094 56.2553 30.4291 176.1503 50 A 4.3613 8.7504 128.2235 51.9873 20.6458 176.5534 51 G 3.6617 6.8220 101.7026 45.8512 0.0000 171.3272 52 T 3.7039 8.4071 117.0239 64.9007 68.1741 174.4881 53 G 4.3800 8.5304 114.2847 46.5147 0.0000 171.2582 54 I 4.8571 7.1887 121.2564 59.0599 39.3559 174.7938 55 W 5.1166 9.1981 126.6276 55.1945 33.0852 174.2339 56 M 5.6260 9.0884 121.3203 53.5555 36.1536 173.1266 57 C 5.2044 8.7539 124.7307 57.8733 32.7552 174.5788 58 G 3.8676 9.1272 116.4138 47.9622 0.0000 173.9808 59 H 4.3872 8.2696 119.7668 58.5521 30.1420 175.5372 60 C 4.3651 8.1429 111.4167 57.5428 30.5903 174.6405 61 G 3.9435 8.7870 109.3330 44.8517 0.0000 173.0350 62 Y 4.3137 7.9735 121.3237 58.4421 39.7288 174.7243 63 K 4.8662 8.4499 128.0331 54.7608 33.6945 174.9973 64 I 4.3915 9.2734 121.9556 58.9551 40.9957 174.1113 65 A 4.9088 8.4574 124.9352 51.0471 19.9884 176.8011 66 G 4.0167 8.2336 110.6264 44.8771 0.0000 171.6637 67 G 4.1260 8.5175 110.6752 45.1005 0.0000 174.0901 68 C 4.1022 8.5076 115.8949 61.9669 28.4771 174.4604 69 Y 5.0483 7.8471 113.4481 57.5310 39.2426 174.6957 70 Q 4.7357 8.0877 118.7771 53.4697 32.9097 174.1276 71 P 2.9700 0.0000 0.0000 64.1785 31.6633 176.0966 72 E 4.6087 7.5604 117.2368 54.3462 32.8872 174.9583 73 T 4.6377 8.0157 112.2384 59.5063 71.3428 175.4285 74 V 3.5937 8.4208 121.5695 66.1457 31.3160 177.7342 75 A 4.3229 8.0069 120.0864 54.5719 18.7662 179.5563 76 G 3.5702 8.1184 104.3384 47.7712 0.0000 176.1743 77 K 4.1165 7.9989 120.1539 59.2290 31.8751 179.2742 78 A 4.1225 7.7062 120.8271 54.7901 17.9464 179.8937 79 V 3.5477 7.1779 115.0338 66.4995 31.7293 176.9220 80 M 4.0932 7.2923 115.5938 58.4738 31.5517 177.8060 81 K 3.8608 7.6446 116.1490 57.2621 32.5586 176.8037 82 A 4.1699 7.2337 129.3835 52.8746 18.0982 177.7000 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 10 R 8.11 4.26 0.00 1.98 2.07 0.00 2.93 0.00 0.00 3.33 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 11 T 8.33 3.66 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 1.31 0.00 0.00 12 G 7.62 3.76 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 0.00 0.00 0.00 0.00 13 R 7.66 4.06 0.00 1.90 1.96 0.00 2.86 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.06 0.00 14 F 8.33 5.00 0.00 3.37 3.16 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 0.00 0.00 0.00 0.00 15 G 8.14 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.71 0.00 2.14 2.11 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 1.87 1.94 0.00 17 R 7.38 4.12 0.00 0.78 0.66 0.00 2.83 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.33 0.00 18 Y 8.12 3.97 0.00 3.05 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 19 G 7.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.04 0.00 1.71 1.70 0.93 0.88 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 21 K 7.99 3.86 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 22 I 7.89 3.67 2.04 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 1.63 1.02 0.79 0.00 0.00 23 R 7.83 4.41 0.00 2.30 2.54 0.00 3.24 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.59 0.00 24 V 8.26 3.66 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 25 R 8.16 4.02 0.00 2.03 1.92 0.00 3.16 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 26 V 7.68 3.54 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.11 0.00 0.00 27 A 8.07 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.28 0.00 2.93 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 29 V 7.97 3.57 1.95 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 0.70 0.00 0.00 0.83 0.00 0.00 30 E 8.52 4.10 0.00 2.11 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 2.33 2.49 0.00 31 I 8.15 3.71 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 1.01 0.00 0.00 32 K 7.97 4.15 0.00 2.09 1.95 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 33 H 8.16 5.06 0.00 3.44 3.67 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.29 4.41 0.00 1.76 1.86 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.66 7.81 35 K 7.11 4.14 0.00 1.89 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.71 7.81 36 K 8.29 4.13 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.51 5.00 0.00 3.15 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.62 4.55 0.00 1.63 1.76 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 C 9.02 4.10 0.00 3.07 3.06 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 40 P 0.00 4.35 0.00 2.28 2.16 0.00 4.00 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 41 V 6.90 3.40 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.42 0.00 0.00 42 C 7.55 4.53 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 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 44 F 8.17 3.96 0.00 3.00 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 45 K 7.88 4.35 0.00 1.55 1.73 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.30 7.81 46 K 7.65 4.84 0.00 1.81 1.85 0.00 1.93 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.74 7.81 47 L 8.06 5.21 0.00 1.75 1.78 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.45 4.99 0.00 1.68 1.70 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 49 R 8.84 3.47 0.00 1.07 1.42 0.00 2.95 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 50 A 8.75 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 3.70 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 1.07 0.00 0.00 53 G 8.53 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.19 4.86 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 0.82 0.00 0.00 55 W 9.20 5.12 0.00 3.19 3.10 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 56 M 9.09 5.63 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 57 C 8.75 5.20 0.00 3.22 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 58 G 9.13 3.87 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 0.00 0.00 0.00 59 H 8.27 4.39 0.00 3.08 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.14 4.37 0.00 3.08 2.95 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 61 G 8.79 3.94 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 0.00 0.00 0.00 62 Y 7.97 4.31 0.00 3.02 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 63 K 8.45 4.87 0.00 1.72 1.56 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.35 7.81 64 I 9.27 4.39 1.86 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 0.97 0.90 0.83 0.00 0.00 65 A 8.46 4.91 1.25 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 0.00 0.00 0.00 66 G 8.23 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.52 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.51 4.10 0.00 2.34 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.85 5.05 0.00 3.12 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 70 Q 8.09 4.74 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 71 P 0.00 2.97 0.00 1.62 0.86 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.22 0.00 72 E 7.56 4.61 0.00 1.81 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 2.10 2.10 0.00 73 T 8.02 4.64 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 1.23 0.00 0.00 74 V 8.42 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 0.87 0.00 0.00 0.94 0.00 0.00 75 A 8.01 4.32 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 76 G 8.12 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.00 4.12 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.61 7.81 78 A 7.71 4.12 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 79 V 7.18 3.55 2.26 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 0.87 0.00 0.00 0.95 0.00 0.00 80 M 7.29 4.09 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 81 K 7.64 3.86 0.00 1.86 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.60 7.81 82 A 7.23 4.17 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