NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0781 8.0549 120.3956 62.7499 32.5833 175.2507 6 S 4.0985 8.2836 118.0044 59.8692 63.0338 172.9236 7 Y 4.6822 7.1889 117.9471 58.3341 39.1299 175.3887 8 T 4.3965 7.7107 109.1297 60.0132 70.3781 172.4026 9 P 4.6201 0.0000 0.0000 62.6326 32.4027 174.9593 10 N 5.0708 8.3824 115.7466 51.4752 42.0127 174.3379 11 S 4.5966 8.6794 117.9656 57.8476 63.3298 173.3471 12 C 5.2983 8.7581 123.6506 55.2878 44.3085 174.3277 13 C 4.5280 8.5859 118.2811 56.0268 40.6567 173.3429 14 Y 4.0229 8.5785 123.2516 57.4843 37.7439 176.0787 15 G 4.0111 8.3796 109.9211 45.7221 0.0000 171.2375 16 F 5.0702 8.0185 117.5752 55.0266 42.9090 174.6543 17 Q 4.1751 9.0551 125.6833 56.6635 28.9663 176.0690 18 Q 4.7667 8.8137 123.2761 56.1241 29.6102 175.0276 19 H 4.5687 7.7382 114.8654 52.5965 31.8753 171.7342 20 P 2.9700 0.0000 0.0000 61.7270 31.4742 174.7224 21 P 4.4901 0.0000 0.0000 61.1966 32.6679 174.2023 22 P 4.3163 0.0000 0.0000 62.5865 31.8876 178.3553 23 V 3.7287 8.5470 116.9346 64.3276 31.7704 178.3848 24 Q 4.0711 8.1450 116.9763 58.5892 28.4459 177.2374 25 I 4.1325 7.6848 110.4879 61.1317 38.4192 175.3484 26 L 4.6832 7.6485 122.0611 54.2014 42.5766 175.9132 27 K 4.5439 8.7145 124.2820 57.8211 34.0019 175.2948 28 E 5.1557 7.7491 115.5612 55.8970 32.6428 174.2488 29 W 5.7849 8.6353 115.8668 55.4200 32.1030 173.5400 30 Y 4.7195 8.1387 118.2007 54.8584 41.2040 172.5644 31 P 5.2437 0.0000 0.0000 62.6476 32.9260 175.6210 32 T 4.4780 8.3584 111.4485 60.6507 70.3108 174.5772 33 S 4.2669 8.0249 115.0028 57.9781 62.8072 173.5285 34 P 4.4199 0.0000 0.0000 64.4993 31.2599 177.5731 35 A 4.1784 8.3814 121.2364 54.2756 18.6600 177.5774 36 C 4.4762 7.8483 113.6378 56.3788 40.8519 172.1643 37 P 4.3155 0.0000 0.0000 64.7782 31.1500 176.8843 38 K 4.5967 7.4877 116.7265 53.3791 34.9141 173.8154 39 P 4.4397 0.0000 0.0000 63.1020 32.1353 175.6289 40 G 4.4729 8.3305 106.0095 45.2187 0.0000 171.8802 41 V 5.1525 8.6917 113.1274 59.3732 36.3819 174.7001 42 I 4.6909 8.6362 123.6296 59.6193 39.4861 174.7211 43 L 4.7001 8.9332 128.3544 53.5386 43.2594 175.3052 44 L 5.1172 8.8988 127.3724 53.7252 44.0477 176.0200 45 T 4.8342 8.7397 116.8022 60.4627 70.5116 176.0509 46 K 3.9528 8.9334 122.4146 59.5100 32.0993 178.5830 47 R 4.1827 7.9375 114.9827 56.5060 30.4123 176.9655 48 G 4.0286 8.2439 106.8999 44.8977 0.0000 173.4356 49 R 4.1864 8.2915 121.0774 56.0042 31.3568 175.2642 50 Q 4.7286 8.7189 125.2893 54.7467 30.2193 174.9554 51 I 4.4857 8.5170 126.1207 59.3951 39.7318 174.6825 52 C 5.0991 8.8933 125.3687 57.0437 42.2438 172.7974 53 A 5.0332 9.2508 124.4621 50.2482 23.1053 174.4281 54 D 4.0747 7.7572 119.5084 51.5560 41.8192 175.4328 55 P 4.0263 0.0000 0.0000 64.3632 31.5638 177.6683 56 S 4.0765 7.7454 113.6825 60.0421 63.3755 174.9991 57 K 4.1859 7.5872 122.5384 55.0930 33.8788 177.0460 58 N 4.2172 8.5605 121.9175 56.4856 38.9180 177.1556 59 W 4.2913 8.0810 117.7364 59.5075 28.0467 178.3991 60 V 2.8892 6.4852 118.4201 65.5961 30.9463 178.1154 61 R 3.5826 7.5978 117.7792 59.0706 29.6017 178.8581 62 Q 3.9075 8.1416 118.9457 59.0693 29.2193 178.0415 63 L 4.1376 8.1846 120.2749 58.0589 41.6393 178.8623 64 M 3.2164 7.8876 119.0839 58.6071 31.6208 178.9731 65 Q 4.0503 7.7503 116.3141 58.8528 28.7841 177.8671 66 R 4.3195 7.4927 117.7618 55.6674 30.8731 175.9967 67 L 4.9531 7.2253 118.9642 51.6364 44.7124 174.4705 68 P 4.5092 0.0000 0.0000 63.1212 32.6763 175.1032 69 A 3.9652 8.4907 124.4934 50.5686 19.6294 176.4353 70 I 4.4380 7.9665 122.5979 59.5417 40.0736 176.1503 71 A 3.6891 8.6827 130.1623 52.7170 18.6013 176.3213 72 H 4.1186 8.1979 122.8016 56.8987 29.3688 174.5565 73 H 3.9709 8.4041 125.7936 56.7555 30.1487 174.2621 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 V 8.05 4.08 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 1.14 0.00 0.00 1.01 0.00 0.00 6 S 8.28 4.10 0.00 3.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.19 4.68 0.00 3.01 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 8 T 7.71 4.40 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 1.28 0.00 0.00 9 P 0.00 4.62 0.00 2.24 2.13 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 N 8.38 5.07 0.00 2.61 2.77 0.00 0.00 6.85 7.57 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 11 S 8.68 4.60 0.00 3.96 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 12 C 8.76 5.30 0.00 2.91 2.76 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 13 C 8.59 4.53 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.58 4.02 0.00 2.82 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 G 8.38 4.01 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 0.00 0.00 0.00 16 F 8.02 5.07 0.00 2.99 2.81 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 17 Q 9.06 4.18 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 18 Q 8.81 4.77 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.47 0.00 0.00 0.00 0.00 0.00 2.66 2.40 0.00 19 H 7.74 4.57 0.00 2.98 2.94 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 2.97 0.00 1.61 1.30 0.00 3.14 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 0.00 21 P 0.00 4.49 0.00 2.20 2.09 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 22 P 0.00 4.32 0.00 2.20 2.01 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 23 V 8.55 3.73 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 0.90 0.00 0.00 0.94 0.00 0.00 24 Q 8.14 4.07 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 25 I 7.68 4.13 1.89 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 1.57 1.24 0.92 0.00 0.00 26 L 7.65 4.68 0.00 1.83 1.70 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.71 4.54 0.00 1.76 2.00 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.40 7.81 28 E 7.75 5.16 0.00 2.19 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 2.28 2.37 0.00 29 W 8.64 5.78 0.00 3.52 3.14 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 30 Y 8.14 4.72 0.00 2.91 3.02 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 31 P 0.00 5.24 0.00 2.23 2.38 0.00 3.76 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 32 T 8.36 4.48 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 33 S 8.02 4.27 0.00 3.96 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 34 P 0.00 4.42 0.00 2.09 2.10 0.00 3.74 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 2.03 2.10 0.00 35 A 8.38 4.18 1.30 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 36 C 7.85 4.48 0.00 3.09 2.98 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 0.00 0.00 0.00 37 P 0.00 4.32 0.00 1.96 2.12 0.00 3.51 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 38 K 7.49 4.60 0.00 1.64 1.57 0.00 1.85 0.00 0.00 1.85 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.48 7.81 39 P 0.00 4.44 0.00 2.04 1.96 0.00 3.72 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 1.99 2.08 0.00 40 G 8.33 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.69 5.15 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 0.73 0.00 0.00 0.80 0.00 0.00 42 I 8.64 4.69 0.59 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 1.07 1.06 0.67 0.00 0.00 43 L 8.93 4.70 0.00 1.63 1.66 1.08 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.90 5.12 0.00 1.85 1.73 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.74 4.83 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 1.30 0.00 0.00 46 K 8.93 3.95 0.00 1.77 1.95 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.51 1.57 7.81 47 R 7.94 4.18 0.00 1.82 1.99 0.00 3.19 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 48 G 8.24 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.29 4.19 0.00 1.95 1.84 0.00 3.12 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 50 Q 8.72 4.73 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 51 I 8.52 4.49 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 1.08 0.00 0.00 52 C 8.89 5.10 0.00 2.94 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 53 A 9.25 5.03 0.99 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 0.00 0.00 0.00 0.00 0.00 54 D 7.76 4.07 0.00 1.58 1.93 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 55 P 0.00 4.03 0.00 2.02 1.92 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 56 S 7.75 4.08 0.00 3.89 3.88 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 0.00 0.00 0.00 57 K 7.59 4.19 0.00 1.15 1.26 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.16 1.44 7.81 58 N 8.56 4.22 0.00 2.71 2.82 0.00 0.00 6.95 7.95 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 59 W 8.08 4.29 0.00 3.51 3.25 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 60 V 6.49 2.89 1.59 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 0.62 0.00 0.00 -0.82 0.00 0.00 61 R 7.60 3.58 0.00 1.89 1.80 0.00 3.05 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 62 Q 8.14 3.91 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 63 L 8.18 4.14 0.00 1.82 1.70 1.25 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 64 M 7.89 3.22 0.00 0.95 1.79 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.81 0.00 65 Q 7.75 4.05 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 66 R 7.49 4.32 0.00 1.91 2.04 0.00 3.29 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 67 L 7.23 4.95 0.00 1.99 1.81 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.51 0.00 2.13 2.22 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 69 A 8.49 3.97 0.82 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 70 I 7.97 4.44 2.00 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 1.11 0.67 0.91 0.00 0.00 71 A 8.68 3.69 1.15 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 72 H 8.20 4.12 0.00 1.59 2.82 0.00 6.09 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.40 3.97 0.00 3.19 3.14 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00