NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3380 8.1744 110.9438 61.3757 70.4487 173.1316 6 N 4.6854 7.9838 119.3899 53.6137 39.1748 173.6792 7 S 4.4398 8.1282 111.9991 57.4947 64.8270 172.8710 8 D 4.8663 8.5238 122.0240 54.5470 42.4666 174.3918 9 F 5.3598 7.9249 115.2287 55.3069 41.4560 173.9834 10 V 4.5904 8.7529 112.2559 59.5627 35.3733 174.8044 11 V 4.8226 8.7997 123.7504 61.3046 34.0537 174.3948 12 I 4.9692 9.1920 128.4965 59.4422 40.4436 174.1358 13 K 5.0115 9.1121 129.3776 54.2741 34.2129 175.2234 14 A 4.3951 8.9029 130.4648 52.3328 19.1052 177.4208 15 L 4.6641 8.9073 122.3251 54.6326 42.6195 175.6952 16 E 4.7294 7.6459 115.7594 55.1155 32.4854 174.4725 17 D 4.3352 8.6079 119.9718 54.9768 41.6367 176.9052 18 G 3.8379 8.8443 109.4190 46.1231 0.0000 174.0190 19 V 3.9129 7.5023 119.3299 62.8722 32.9624 174.5128 20 N 5.3721 9.2679 124.5441 51.4283 41.7704 173.4799 21 V 4.5933 8.7984 124.4070 61.3912 33.6743 174.1967 22 I 4.7028 8.7347 129.9715 59.3688 39.7224 175.0997 23 G 4.1585 9.0068 115.1507 45.3203 0.0000 172.3674 24 L 5.5169 8.8464 125.6405 52.8969 43.9403 176.2847 25 T 4.4417 8.8358 114.7937 62.0288 69.1138 174.1747 26 R 4.2297 7.8618 125.8397 56.9077 30.9901 174.9114 27 G 3.7322 8.8215 109.3073 43.8901 0.0000 173.2759 28 A 4.0907 8.6086 121.2690 54.3308 18.5881 177.7236 29 D 4.9227 7.8281 114.2978 53.0796 42.8552 175.9497 30 T 4.7935 8.2734 118.1327 61.9642 71.2988 173.3389 31 R 4.6772 8.8518 122.1713 54.3684 33.7108 174.3123 32 F 5.1309 8.5853 119.4937 58.2563 38.7373 175.0486 33 H 4.8844 8.9395 119.4715 56.8078 30.2133 174.8269 34 H 4.8126 7.7146 117.6962 54.8848 33.4003 172.0747 35 S 4.8668 8.2063 119.3106 56.4937 64.7653 172.4091 36 E 4.4522 9.2047 129.9796 54.7033 30.8689 174.5348 37 K 4.8158 8.6067 128.8996 55.5421 33.7656 175.4705 38 L 4.8970 8.8861 127.4961 53.1062 44.6178 176.4136 39 D 5.0536 9.1654 124.4859 52.7212 43.0284 175.8742 40 K 4.0981 8.7703 121.7644 58.2969 32.2829 176.8711 41 G 4.0248 9.0353 115.8192 45.1636 0.0000 173.5773 42 E 4.2346 8.0350 119.6295 56.2911 30.7934 176.0568 43 V 4.8287 8.2936 122.1771 61.0065 34.3342 174.1508 44 L 4.7221 9.2016 129.9014 53.2734 44.6720 174.8565 45 I 4.9525 8.4689 126.4588 59.6610 39.1336 174.6427 46 A 4.6997 8.8946 129.4514 50.0728 21.6376 175.5443 47 Q 4.8053 8.6452 121.3567 54.9649 30.4853 175.7084 48 F 4.7649 8.3738 120.3258 57.9348 38.3840 175.2746 49 T 4.7391 9.0269 111.8448 59.8648 72.0651 174.0168 50 E 4.1533 8.9494 121.2504 59.4652 29.6542 177.3208 51 H 4.5274 7.8095 113.3510 56.6160 29.6517 174.4258 52 T 5.2443 8.0945 116.2994 61.9715 71.2746 174.3397 53 S 5.0490 9.0029 120.1487 57.9880 64.7731 173.4429 54 A 5.0456 7.9357 121.5200 51.0873 22.6269 175.2189 55 I 5.0103 8.5547 120.4663 59.3199 41.0226 174.7367 56 K 4.5594 8.7790 127.3499 54.4576 35.0364 174.5887 57 V 4.7962 8.4196 126.7046 61.0424 33.7619 174.2833 58 R 4.4560 8.7048 128.3551 55.3842 32.5097 174.4848 59 G 3.8549 8.9747 111.3322 43.7359 0.0000 172.4057 60 K 4.5586 9.0020 120.4395 55.8243 32.9188 175.5573 61 A 5.1688 8.8414 128.6311 50.6178 23.4106 173.6783 62 Y 4.7600 8.9102 121.7880 56.2437 40.6611 174.5327 63 I 5.0705 8.2984 127.3577 59.5310 41.0685 174.3640 64 Q 5.0894 8.9132 125.3617 54.3555 31.8393 174.8855 65 T 4.6686 8.4737 112.9134 59.4274 72.3816 174.5829 66 R 3.7018 8.5323 120.5110 59.4560 29.8757 176.6182 67 H 4.5911 7.8344 112.8287 55.3665 29.6762 173.7057 68 G 3.7567 7.4173 105.6243 44.0152 0.0000 172.8065 69 V 4.5341 8.0550 119.4677 61.9231 33.0840 176.4321 70 I 4.6517 8.4170 125.3307 59.6009 42.0888 173.2168 71 E 5.1351 8.4858 125.2582 54.4763 32.5627 175.8347 72 S 4.5656 8.7948 119.4400 57.9595 64.9894 172.9228 73 E 4.9180 8.5416 120.4120 54.2006 32.5420 176.3647 74 G 3.7193 8.6360 110.7264 45.9594 0.0000 173.4013 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 5 T 8.17 4.34 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 6 N 7.98 4.69 0.00 2.79 2.86 0.00 0.00 7.15 6.75 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 7 S 8.13 4.44 0.00 4.12 3.93 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 8 D 8.52 4.87 0.00 2.78 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 9 F 7.92 5.36 0.00 3.09 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 10 V 8.75 4.59 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 0.49 0.00 0.00 0.87 0.00 0.00 11 V 8.80 4.82 2.17 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 1.06 0.00 0.00 1.19 0.00 0.00 12 I 9.19 4.97 1.87 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 1.09 0.37 0.91 0.00 0.00 13 K 9.11 5.01 0.00 1.88 1.80 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.90 4.40 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 4.66 0.00 1.67 1.72 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.73 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 17 D 8.61 4.34 0.00 2.59 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 18 G 8.84 3.84 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 0.00 0.00 0.00 19 V 7.50 3.91 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 1.02 0.00 0.00 1.01 0.00 0.00 20 N 9.27 5.37 0.00 2.56 2.59 0.00 0.00 6.40 7.27 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 21 V 8.80 4.59 2.04 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 0.83 0.00 0.00 0.90 0.00 0.00 22 I 8.73 4.70 1.35 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.65 0.04 0.00 0.00 23 G 9.01 4.16 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 0.00 0.00 0.00 24 L 8.85 5.52 0.00 1.87 1.72 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.84 4.44 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 1.40 0.00 0.00 26 R 7.86 4.23 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.82 3.73 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 0.00 0.00 0.00 28 A 8.61 4.09 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 29 D 7.83 4.92 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.79 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 1.29 0.00 0.00 31 R 8.85 4.68 0.00 1.79 1.96 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 32 F 8.59 5.13 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.94 4.88 0.00 3.18 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.71 4.81 0.00 3.34 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 4.87 0.00 3.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.20 4.45 0.00 2.16 1.80 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 2.25 2.29 0.00 37 K 8.61 4.82 0.00 1.78 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 8.89 4.90 0.00 1.57 1.53 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.17 5.05 0.00 2.60 2.72 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 40 K 8.77 4.10 0.00 1.83 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 G 9.04 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 42 E 8.03 4.23 0.00 2.05 1.88 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 2.32 2.39 0.00 43 V 8.29 4.83 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 0.80 0.00 0.00 0.95 0.00 0.00 44 L 9.20 4.72 0.00 1.72 1.47 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 4.95 1.74 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 1.23 0.65 0.62 0.00 0.00 46 A 8.89 4.70 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 47 Q 8.65 4.81 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 48 F 8.37 4.76 0.00 3.03 2.96 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 49 T 9.03 4.74 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 1.31 0.00 0.00 50 E 8.95 4.15 0.00 1.93 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 0.00 2.03 2.27 0.00 51 H 7.81 4.53 0.00 3.28 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.09 5.24 4.36 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 1.32 0.00 0.00 53 S 9.00 5.05 0.00 3.80 4.08 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 54 A 7.94 5.05 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 55 I 8.55 5.01 1.81 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.82 0.00 0.00 56 K 8.78 4.56 0.00 1.70 1.35 0.00 1.63 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.32 7.81 57 V 8.42 4.80 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 0.82 0.00 0.00 0.89 0.00 0.00 58 R 8.70 4.46 0.00 1.87 1.70 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 8.97 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 0.00 0.00 0.00 60 K 9.00 4.56 0.00 1.97 1.72 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 61 A 8.84 5.17 1.22 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 0.00 0.00 62 Y 8.91 4.76 0.00 3.11 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 63 I 8.30 5.07 1.89 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 1.20 0.67 0.86 0.00 0.00 64 Q 8.91 5.09 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 65 T 8.47 4.67 4.12 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 1.17 0.00 0.00 66 R 8.53 3.70 0.00 1.68 1.83 0.00 3.17 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 67 H 7.83 4.59 0.00 3.18 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.42 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 69 V 8.05 4.53 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 0.22 0.00 0.00 0.88 0.00 0.00 70 I 8.42 4.65 1.81 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 1.19 1.28 0.84 0.00 0.00 71 E 8.49 5.14 0.00 1.83 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 2.10 2.17 0.00 72 S 8.79 4.57 0.00 3.97 3.97 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 73 E 8.54 4.92 0.00 1.83 1.86 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 2.20 2.28 0.00 74 G 8.64 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