NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3837 8.1693 120.7676 54.4242 42.6571 176.1313 10 V 4.2105 7.7730 118.7659 60.2631 33.8039 171.1288 11 D 4.4365 8.9655 122.6357 52.9544 44.6514 176.1037 12 L 4.2790 8.1407 124.9053 54.8235 41.7292 178.5574 13 S 4.5484 9.3818 120.3022 57.4986 65.7960 174.6620 14 F 4.4282 8.7517 122.5681 61.6452 39.0679 176.5890 15 E 3.9251 8.3520 116.6790 59.6649 29.1996 178.9318 16 Q 4.1736 8.0065 118.8915 58.6636 28.8418 178.3248 17 E 3.9462 8.0851 119.8509 58.9905 29.3952 179.1023 18 F 4.1270 7.8217 120.5563 61.3669 39.5082 177.1166 19 Q 3.7441 8.2135 117.7831 59.0863 28.5064 178.7346 20 M 4.0083 8.1217 120.0242 58.2790 31.7231 178.9798 21 R 3.9203 7.4539 117.3305 58.8082 30.4858 178.9501 22 V 3.5208 7.2819 118.3643 65.9878 31.4359 177.7066 23 M 3.9490 8.0341 118.1201 58.6789 31.4946 177.8241 24 E 3.8876 8.0218 118.7908 58.8623 30.0189 178.8361 25 E 3.9268 8.0217 118.9490 59.6132 29.4356 179.2373 26 Q 3.8635 7.8698 115.5941 58.2951 29.0916 178.2503 27 V 3.7852 8.0272 120.3342 65.5544 31.4168 178.0856 28 S 4.0614 7.7139 111.2705 60.4071 62.8588 174.7302 29 A 4.6685 7.2161 121.0163 51.9617 19.0331 175.8212 30 M 4.4250 7.7774 118.6010 55.5604 33.4173 177.3322 31 S 4.4724 8.2341 117.4681 57.6103 65.6009 175.1374 32 L 3.9536 8.3129 123.1895 58.1465 41.6678 178.7947 33 Q 3.9400 7.9267 119.0649 59.1967 29.2419 177.4347 34 E 3.8744 8.1607 120.1431 59.3971 29.7851 178.7076 35 A 4.0467 8.1508 120.5739 54.8819 18.3776 179.8664 36 R 3.9276 7.6445 116.9633 59.0603 30.2686 178.6326 37 E 3.8882 8.3522 119.2587 59.3232 29.6877 178.8139 38 L 3.9506 7.9223 118.9612 57.7559 41.6599 179.2307 39 L 3.9813 7.8120 119.8711 58.2487 42.0428 179.1138 40 L 4.0543 7.9095 118.8214 57.8880 41.6582 179.5212 41 Q 4.0291 8.3209 117.9764 58.6148 28.4955 178.6565 42 A 3.9969 8.3853 122.4989 55.2528 18.3422 179.8759 43 S 4.0480 8.4873 114.1948 61.5552 62.8440 176.9537 44 R 3.8536 7.9372 121.3276 59.4407 29.9808 178.3831 45 L 3.9950 7.8414 119.7921 58.0131 42.0446 178.9225 46 L 4.0092 8.0817 119.3257 58.1164 41.4732 179.4118 47 M 4.3883 7.7882 119.9060 58.0357 31.7507 178.6349 48 M 4.1884 8.1297 118.5750 57.5132 32.0537 178.6822 49 K 3.9722 7.7964 120.0093 59.4560 31.9459 178.4381 50 D 4.3845 8.0320 119.0634 57.6032 40.6898 178.6754 51 N 4.4431 8.0541 116.7192 56.0575 38.2711 177.7578 52 V 3.6030 7.3112 119.2207 65.9458 31.8400 177.8871 53 I 3.8072 7.9223 119.5849 64.3442 37.0134 178.1815 54 R 3.9079 8.4386 119.0936 59.8348 29.9693 179.1213 55 S 4.1315 8.0949 112.0888 60.8959 61.8099 175.6339 56 L 4.1164 8.0497 123.1972 57.4256 42.0842 178.7110 57 V 3.7210 7.6516 117.9096 65.5081 31.5615 178.0755 58 K 3.9323 8.1738 118.3923 59.5094 31.8586 179.2503 59 R 3.9475 7.6021 117.1599 58.8112 29.8883 177.9808 60 A 4.1996 7.2937 118.2833 54.9269 19.0681 178.6583 61 A 4.0657 7.4823 117.2500 55.4696 18.5519 177.7755 62 R 4.1056 7.8795 118.9743 56.4758 30.2711 176.6734 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 9 L 8.17 4.38 0.00 1.68 1.53 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.77 4.21 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 0.74 0.00 0.00 0.94 0.00 0.00 11 D 8.97 4.44 0.00 2.60 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 12 L 8.14 4.28 0.00 1.62 1.63 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 13 S 9.38 4.55 0.00 4.05 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 0.00 14 F 8.75 4.43 0.00 3.09 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 15 E 8.35 3.93 0.00 2.26 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 0.00 2.43 2.41 0.00 16 Q 8.01 4.17 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 17 E 8.09 3.95 0.00 2.15 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 2.50 2.49 0.00 18 F 7.82 4.13 0.00 2.68 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 19 Q 8.21 3.74 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 20 M 8.12 4.01 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.84 0.00 21 R 7.45 3.92 0.00 1.77 1.90 0.00 3.31 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 22 V 7.28 3.52 1.87 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 0.83 0.00 0.00 0.12 0.00 0.00 23 M 8.03 3.95 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 24 E 8.02 3.89 0.00 2.13 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 0.00 2.27 2.32 0.00 25 E 8.02 3.93 0.00 2.18 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 2.24 2.45 0.00 26 Q 7.87 3.86 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 27 V 8.03 3.79 2.12 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 1.03 0.00 0.00 0.95 0.00 0.00 28 S 7.71 4.06 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 29 A 7.22 4.67 1.27 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 0.00 0.00 0.00 30 M 7.78 4.42 0.00 2.00 2.19 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 2.88 2.64 0.00 31 S 8.23 4.47 0.00 4.04 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 32 L 8.31 3.95 0.00 1.77 1.70 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.93 3.94 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 34 E 8.16 3.87 0.00 2.08 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 2.30 2.33 0.00 35 A 8.15 4.05 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 36 R 7.64 3.93 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 37 E 8.35 3.89 0.00 2.06 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 2.30 2.43 0.00 38 L 7.92 3.95 0.00 1.78 1.69 0.91 0.29 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 39 L 7.81 3.98 0.00 2.04 1.77 0.91 0.48 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 40 L 7.91 4.05 0.00 2.11 1.69 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.32 4.03 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 42 A 8.39 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.05 0.00 3.84 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 44 R 7.94 3.85 0.00 1.90 2.14 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 45 L 7.84 3.99 0.00 2.03 1.81 0.92 0.54 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 46 L 8.08 4.01 0.00 1.92 1.70 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 M 7.79 4.39 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.43 0.00 48 M 8.13 4.19 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 49 K 7.80 3.97 0.00 2.19 1.79 0.00 1.53 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 50 D 8.03 4.38 0.00 2.93 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 51 N 8.05 4.44 0.00 2.87 2.86 0.00 0.00 6.62 9.03 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 52 V 7.31 3.60 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 0.83 0.00 0.00 1.04 0.00 0.00 53 I 7.92 3.81 2.03 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 1.52 0.61 0.91 0.00 0.00 54 R 8.44 3.91 0.00 1.80 2.01 0.00 3.13 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 55 S 8.09 4.13 0.00 3.91 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 56 L 8.05 4.12 0.00 2.14 1.72 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.65 3.72 2.21 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 1.02 0.00 0.00 0.97 0.00 0.00 58 K 8.17 3.93 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.63 7.81 59 R 7.60 3.95 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 60 A 7.29 4.20 1.38 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 61 A 7.48 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.88 4.11 0.00 1.83 1.85 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00