NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.8005 8.2076 120.4777 54.4095 43.0894 173.6199 9 F 5.1763 7.8522 115.8748 54.8900 41.4516 168.6265 10 V 4.6249 9.0766 113.1301 59.6041 35.6460 175.9739 11 V 4.8482 8.6555 124.2860 61.3314 33.7508 174.4171 12 I 4.9951 8.7961 128.3185 59.3953 40.7773 174.0715 13 K 4.9067 8.9572 128.8914 54.2986 34.4517 174.9608 14 A 4.4974 8.8934 130.5091 52.2100 18.9105 177.6909 15 V 4.3734 9.0163 122.8874 62.8945 32.6002 175.0672 16 E 4.7884 7.8575 115.8740 54.6891 32.7960 174.6571 17 D 4.5255 8.4727 119.0055 55.3993 41.3806 176.3152 18 G 3.8675 8.6604 108.2257 46.5457 0.0000 174.3617 19 V 3.9791 7.5938 119.0967 62.6883 33.0749 174.3441 20 N 5.4210 9.0302 123.7259 51.4149 41.6963 173.5316 21 V 4.6008 8.9217 124.1601 61.3386 33.8237 174.1125 22 I 4.7930 8.6182 129.7758 59.4472 39.6547 174.9648 23 G 4.1521 9.2219 114.8944 44.6962 0.0000 172.3583 24 L 5.4149 8.5656 124.6519 52.7270 44.1759 176.2248 25 T 4.5325 8.6396 114.2454 61.8371 69.3551 174.1143 26 R 4.3664 8.0407 126.2489 56.2771 30.8354 175.6183 27 G 3.8146 8.7106 111.2609 44.4705 0.0000 173.0635 28 T 3.9937 8.5537 109.3353 63.9353 69.1029 174.2152 29 D 4.8855 7.8425 119.9511 52.7075 42.8787 175.8885 30 T 4.6602 8.3308 117.8726 61.9624 70.8472 173.4293 31 K 4.9003 8.7714 124.9142 54.2613 36.9298 176.0942 32 F 4.9459 9.2162 122.0425 58.0960 39.0645 174.9560 33 H 4.9746 8.8531 118.2850 55.9591 30.3700 173.8994 34 H 4.5775 7.4902 115.8950 55.3840 33.1429 172.2202 35 S 4.8781 8.4882 119.6915 56.4775 64.7836 172.3465 36 E 4.4400 9.4911 130.3543 54.6780 30.8953 174.7425 37 K 4.7272 8.6166 128.8742 56.0084 33.6681 175.6963 38 L 4.9404 9.0731 126.9348 53.1767 45.2523 176.2344 39 D 5.0758 9.1458 123.8335 52.4177 43.3588 175.9171 40 K 4.2636 9.3779 122.3486 58.1941 32.3264 177.1462 41 G 3.9910 9.2585 115.7024 45.1401 0.0000 173.3461 42 E 4.4001 7.9754 119.3574 55.9423 31.1375 175.8196 43 V 4.8535 8.1889 120.7484 61.1518 34.6913 174.3870 44 I 4.5670 8.7714 127.0517 59.1737 41.2285 173.9030 45 I 4.8713 8.3950 128.9346 59.5644 39.0372 174.7355 46 A 4.6877 8.8018 128.7898 50.1498 22.0198 175.0899 47 Q 4.8522 8.5594 120.5848 54.6669 30.6479 175.7612 48 F 4.5553 8.3233 120.5487 58.0402 39.9124 175.0214 49 T 4.6844 8.6901 110.9060 60.4960 71.8049 173.3731 50 E 4.0465 8.8985 120.1446 59.6376 29.5557 178.2182 51 H 4.5557 8.1577 114.1545 56.4051 29.9181 174.2514 52 T 5.2819 8.2070 117.1481 61.7837 70.6615 174.6198 53 S 5.0699 8.9894 119.2745 57.9137 64.8144 173.3287 54 A 5.0918 7.9089 121.3473 51.0702 22.6841 175.2357 55 I 4.8771 8.5065 120.4430 59.3307 40.5037 174.7534 56 K 4.5706 8.8414 128.1945 54.4467 34.8937 174.6269 57 V 4.7861 8.3583 126.2788 61.0578 33.9023 174.4085 58 R 4.4817 8.9259 127.8297 55.4911 32.7296 174.5220 59 G 4.2181 9.1209 112.4012 43.7634 0.0000 172.4194 60 E 4.4463 9.4882 121.3232 56.0680 30.5807 175.4973 61 A 4.9669 8.7075 126.8338 50.8884 23.5108 174.3099 62 L 4.8010 8.6150 122.9220 53.8406 44.0273 175.3316 63 I 5.0201 8.8027 127.2499 59.6077 40.2534 174.5059 64 Q 5.2878 9.2200 125.7504 54.4737 32.1542 174.8357 65 T 4.9159 8.7776 112.0721 59.9002 72.4812 174.2881 66 A 3.8003 8.4122 123.5713 55.1332 18.1208 177.8963 67 Y 4.7361 7.2641 111.2458 57.5133 38.9723 174.5748 68 G 3.9247 7.6466 106.1055 44.1103 0.0000 172.4896 69 E 5.1722 8.5918 119.4082 55.2352 31.8808 175.5147 70 M 4.8336 8.8205 121.4770 53.8805 36.2768 173.3172 71 K 5.0813 8.6838 126.6055 54.6605 34.5239 175.4779 72 S 4.6396 8.7702 122.2394 57.8716 64.9456 173.4569 73 E 4.8543 8.5001 121.0237 54.5897 31.4584 175.8744 74 K 4.2018 8.6308 120.3967 56.7489 32.8481 177.4518 75 K 4.1443 8.8185 121.4020 57.2345 32.7401 176.7883 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 8 D 8.21 4.80 0.00 2.77 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 7.85 5.18 0.00 3.07 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 10 V 9.08 4.62 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 0.69 0.00 0.00 0.88 0.00 0.00 11 V 8.66 4.85 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 1.08 0.00 0.00 1.14 0.00 0.00 12 I 8.80 5.00 1.85 0.00 0.00 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 1.10 0.61 0.90 0.00 0.00 13 K 8.96 4.91 0.00 1.80 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.36 7.81 14 A 8.89 4.50 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 4.37 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 0.87 0.00 0.00 0.93 0.00 0.00 16 E 7.86 4.79 0.00 2.04 1.85 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 2.16 2.30 0.00 17 D 8.47 4.53 0.00 2.69 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 8.66 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 19 V 7.59 3.98 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 0.95 0.00 0.00 0.98 0.00 0.00 20 N 9.03 5.42 0.00 2.73 2.66 0.00 0.00 6.47 7.20 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 21 V 8.92 4.60 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 0.92 0.00 0.00 0.90 0.00 0.00 22 I 8.62 4.79 1.50 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.45 0.24 0.00 0.00 23 G 9.22 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 24 L 8.57 5.41 0.00 1.78 1.60 0.29 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.64 4.53 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 1.33 0.00 0.00 26 R 8.04 4.37 0.00 1.89 1.99 0.00 3.23 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.71 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 28 T 8.55 3.99 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 1.22 0.00 0.00 29 D 7.84 4.89 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.66 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 1.29 0.00 0.00 31 K 8.77 4.90 0.00 1.77 1.72 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.45 7.81 32 F 9.22 4.95 0.00 2.76 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 33 H 8.85 4.97 0.00 3.10 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.49 4.58 0.00 3.29 3.10 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 8.49 4.88 0.00 3.89 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 36 E 9.49 4.44 0.00 2.12 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 8.62 4.73 0.00 1.80 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.36 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.46 7.81 38 L 9.07 4.94 0.00 1.69 1.50 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.15 5.08 0.00 2.59 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 40 K 9.38 4.26 0.00 1.72 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 G 9.26 3.99 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 0.00 42 E 7.98 4.40 0.00 2.07 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 2.31 2.25 0.00 43 V 8.19 4.85 2.06 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 0.82 0.00 0.00 0.92 0.00 0.00 44 I 8.77 4.57 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.54 0.88 0.00 0.00 45 I 8.40 4.87 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.52 0.00 0.00 46 A 8.80 4.69 1.10 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 0.00 0.00 47 Q 8.56 4.85 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.32 4.56 0.00 3.05 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 49 T 8.69 4.68 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 1.27 0.00 0.00 50 E 8.90 4.05 0.00 1.82 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 0.00 2.30 2.39 0.00 51 H 8.16 4.56 0.00 3.20 3.27 0.00 5.75 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 8.21 5.28 4.34 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 1.27 0.00 0.00 53 S 8.99 5.07 0.00 3.82 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 54 A 7.91 5.09 1.26 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 0.00 0.00 0.00 55 I 8.51 4.88 1.82 0.00 0.00 0.24 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 0.57 0.81 0.00 0.00 56 K 8.84 4.57 0.00 1.62 1.38 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.31 7.81 57 V 8.36 4.79 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.93 4.48 0.00 1.92 1.73 0.00 3.16 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 59 G 9.12 4.22 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 0.00 60 E 9.49 4.45 0.00 2.16 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 2.31 2.27 0.00 61 A 8.71 4.97 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 62 L 8.61 4.80 0.00 1.80 1.54 0.93 0.85 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 63 I 8.80 5.02 2.01 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 1.22 0.84 0.90 0.00 0.00 64 Q 9.22 5.29 0.00 1.95 1.96 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 2.26 2.27 0.00 65 T 8.78 4.92 3.95 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 1.13 0.00 0.00 66 A 8.41 3.80 1.06 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 67 Y 7.26 4.74 0.00 3.00 2.91 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 0.00 0.00 0.00 68 G 7.65 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 69 E 8.59 5.17 0.00 1.87 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 2.24 2.29 0.00 70 M 8.82 4.83 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 71 K 8.68 5.08 0.00 1.79 1.67 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.56 7.81 72 S 8.77 4.64 0.00 4.02 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 8.50 4.85 0.00 1.87 1.92 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 2.26 2.28 0.00 74 K 8.63 4.20 0.00 1.64 1.77 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.67 1.47 7.81 75 K 8.82 4.14 0.00 1.87 1.80 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.44 7.81