NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.1450 8.1631 115.1891 61.8786 68.3879 172.4775 9 G 4.0157 7.5831 115.4115 42.2310 0.0000 171.4651 10 K 3.8731 9.0346 121.4732 58.0562 33.3982 175.1842 11 K 4.2499 7.7668 127.0740 56.5213 32.0346 177.0047 12 N 4.7264 8.6385 117.4416 53.1912 37.5796 175.3527 13 L 4.5902 7.9141 120.9956 56.2405 45.0757 176.2291 14 V 4.1809 7.9662 117.6752 60.1665 38.8770 177.1001 15 V 3.6968 9.3617 124.0606 62.2631 30.4241 175.6137 16 N 3.8227 8.3897 120.1025 55.4796 36.0612 173.1936 17 S 4.6157 8.1064 123.8250 57.6928 65.9892 173.3300 18 V 4.5356 8.1968 113.7240 60.7322 35.4883 173.9160 19 I 3.5553 7.4405 115.5378 57.0390 39.6132 174.9815 20 R 4.4746 8.3430 121.0979 54.9092 32.5417 174.1198 21 R 4.6343 8.6976 125.5090 55.2403 32.2946 177.1597 22 G 4.0265 8.3385 108.6727 44.9250 0.0000 172.2224 23 K 5.1816 8.4980 126.7809 56.0204 35.6014 174.7378 24 A 4.5066 8.9950 120.9463 51.8004 23.0596 177.4784 25 R 3.6920 8.5853 114.4303 56.4278 27.6768 175.5844 26 A 3.7133 7.7272 121.6370 52.6527 17.6101 173.2573 27 D 4.4835 8.8732 129.5776 54.6898 39.5804 173.7595 28 G 4.1898 8.1892 113.8876 43.3703 0.0000 169.8025 29 G 3.8651 8.5309 108.7383 46.0524 0.0000 174.8765 30 V 3.8914 8.2684 123.6993 63.2226 31.9156 172.8890 31 G 4.2476 8.5540 106.2144 45.3636 0.0000 171.1654 32 R 4.7341 8.3451 125.6495 55.8488 28.2611 177.3836 33 K 4.2531 8.8492 113.2749 57.6257 33.1544 175.8951 34 T 3.9810 6.6306 110.4511 62.8668 71.5522 171.8749 35 T 4.3899 8.6695 118.6596 61.7407 70.6195 173.4288 36 G 3.9566 8.4919 115.2010 45.1951 0.0000 172.1603 37 I 4.6128 8.3680 127.6592 61.1705 37.8635 176.0562 38 T 4.6502 8.9338 114.3492 60.1086 70.1780 174.4791 39 K 4.2915 8.2064 118.7092 55.3400 31.7361 176.6879 40 R 3.9917 8.7771 134.9623 57.0173 28.3462 175.3490 41 V 4.6020 8.5578 115.2841 60.8127 34.6277 177.3082 42 Q 5.1178 8.6210 126.0802 56.8570 32.2974 173.8944 43 R 4.7958 8.2870 120.8388 55.2763 34.5890 173.5035 44 A 4.7620 8.2933 119.1624 51.2913 22.6045 175.6436 45 N 4.8875 9.5631 116.2405 51.6516 42.4956 173.8995 46 L 4.7158 8.2118 124.0244 54.5479 44.6465 173.4522 47 H 4.8226 7.7613 124.5931 56.2213 35.2335 176.4109 48 K 4.7577 8.2203 133.6706 59.3445 34.1924 173.1448 49 K 4.6099 8.5552 113.8821 57.3554 34.0685 173.6206 50 A 4.5223 8.1944 121.8931 50.3470 22.0762 176.3784 51 I 4.4120 8.1927 122.0817 61.4638 37.7844 175.7727 52 R 4.7071 8.6378 125.2027 56.9057 33.3242 173.8445 53 E 5.4871 6.8855 122.4389 57.2003 32.0007 175.6115 54 N 5.1509 7.7974 119.6210 51.8732 42.2046 175.8117 55 G 4.1556 8.7469 110.9157 45.3260 0.0000 174.5356 56 Q 4.5872 9.0030 113.9821 56.5490 33.5737 173.2733 57 V 4.6833 7.9959 116.9673 63.4143 32.7653 176.9828 58 K 4.3757 9.8649 125.0266 57.0661 36.4473 174.1347 59 T 4.5651 8.8522 107.9986 64.2769 75.7538 175.0373 60 V 3.1267 7.6426 110.4114 61.1428 30.5348 173.3589 61 W 4.1776 8.4398 122.2107 56.6124 29.6686 175.8159 62 L 4.8290 8.5202 124.1693 53.2593 44.2592 175.5332 63 S 4.2761 9.0358 121.6878 58.2273 64.2997 174.5697 64 A 3.7793 8.9408 123.2888 55.8522 17.8629 179.2907 65 N 4.4156 8.2669 113.4557 55.2665 38.9010 176.7935 66 A 4.3013 9.0918 122.5843 54.1099 19.7122 179.0412 67 L 4.4605 7.8443 117.8949 57.7060 42.3796 178.3266 68 R 4.0646 8.6434 119.8960 59.2413 29.8737 178.1229 69 T 3.9872 7.7522 116.0819 66.7116 68.5680 175.9030 70 L 4.2290 8.6866 122.5976 57.5774 42.0011 178.7534 71 S 3.9202 7.8450 113.5249 60.8695 63.1473 175.9230 72 K 4.8021 7.7423 123.2060 54.2613 31.8258 178.9691 73 G 3.4363 8.4063 119.5272 45.9162 0.0000 170.8879 74 P 4.1136 0.0000 0.0000 62.6216 32.1948 175.9528 75 Y 4.5535 7.7672 117.4354 56.7839 39.4506 176.7756 76 K 3.6685 9.0390 127.0956 56.6086 31.6349 176.6342 77 G 4.3190 8.7896 104.9161 44.1524 0.0000 172.5404 78 I 4.5855 8.0186 121.7445 58.3440 41.2419 175.1487 79 E 4.2324 8.8211 127.0214 56.9069 29.4923 176.9310 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 T 8.16 4.15 4.17 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 0.00 0.00 0.00 1.06 0.00 0.00 9 G 7.58 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 10 K 9.03 3.87 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 11 K 7.77 4.25 0.00 1.78 1.76 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 12 N 8.64 4.73 0.00 2.89 2.96 0.00 0.00 6.71 6.74 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 13 L 7.91 4.59 0.00 1.57 1.60 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.97 4.18 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 0.55 0.00 0.00 0.92 0.00 0.00 15 V 9.36 3.70 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 0.69 0.00 0.00 0.89 0.00 0.00 16 N 8.39 3.82 0.00 2.77 3.07 0.00 0.00 6.51 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 17 S 8.11 4.62 0.00 3.93 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 18 V 8.20 4.54 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 0.72 0.00 0.00 0.93 0.00 0.00 19 I 7.44 3.56 1.87 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 1.29 0.50 1.03 0.00 0.00 20 R 8.34 4.47 0.00 1.85 1.79 0.00 3.16 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 21 R 8.70 4.63 0.00 1.73 1.83 0.00 3.22 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 22 G 8.34 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 23 K 8.50 5.18 0.00 1.83 1.86 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 24 A 8.99 4.51 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.59 3.69 0.00 1.98 2.08 0.00 3.26 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 26 A 7.73 3.71 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 27 D 8.87 4.48 0.00 2.84 2.78 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 0.00 0.00 0.00 28 G 8.19 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.53 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 30 V 8.27 3.89 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 0.77 0.00 0.00 0.93 0.00 0.00 31 G 8.55 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 0.00 0.00 0.00 0.00 32 R 8.35 4.73 0.00 1.93 1.05 0.00 3.37 0.00 0.00 3.33 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 33 K 8.85 4.25 0.00 1.76 1.89 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.35 7.81 34 T 6.63 3.98 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 35 T 8.67 4.39 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 36 G 8.49 3.96 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 0.00 0.00 0.00 37 I 8.37 4.61 1.87 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 1.40 0.58 0.91 0.00 0.00 38 T 8.93 4.65 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 39 K 8.21 4.29 0.00 1.75 0.92 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.58 7.81 40 R 8.78 3.99 0.00 2.02 2.12 0.00 3.27 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 41 V 8.56 4.60 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 0.71 0.00 0.00 0.98 0.00 0.00 42 Q 8.62 5.12 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 43 R 8.29 4.80 0.00 1.61 1.80 0.00 3.19 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 44 A 8.29 4.76 1.14 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 0.00 0.00 45 N 9.56 4.89 0.00 2.54 2.65 0.00 0.00 7.14 6.71 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 46 L 8.21 4.72 0.00 1.42 1.25 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.76 4.82 0.00 3.17 2.28 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.22 4.76 0.00 1.86 1.77 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.51 7.81 49 K 8.56 4.61 0.00 1.83 1.95 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.60 7.81 50 A 8.19 4.52 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.41 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.90 0.00 0.00 52 R 8.64 4.71 0.00 1.73 1.98 0.00 3.50 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 53 E 6.89 5.49 0.00 2.43 2.15 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 2.04 1.97 0.00 54 N 7.80 5.15 0.00 2.71 2.69 0.00 0.00 7.08 8.28 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 55 G 8.75 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 56 Q 9.00 4.59 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 57 V 8.00 4.68 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 1.10 0.00 0.00 0.98 0.00 0.00 58 K 9.86 4.38 0.00 1.67 1.62 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.35 7.81 59 T 8.85 4.57 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 1.15 0.00 0.00 60 V 7.64 3.13 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 0.71 0.00 0.00 0.94 0.00 0.00 61 W 8.44 4.18 0.00 3.25 3.27 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 62 L 8.52 4.83 0.00 1.82 1.51 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.04 4.28 0.00 3.91 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 64 A 8.94 3.78 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 65 N 8.27 4.42 0.00 2.82 2.91 0.00 0.00 6.71 7.54 0.00 0.00 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 A 9.09 4.30 1.42 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 0.00 0.00 0.00 67 L 7.84 4.46 0.00 1.68 1.85 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.64 4.06 0.00 1.95 2.06 0.00 3.18 0.00 0.00 3.18 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 69 T 7.75 3.99 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 70 L 8.69 4.23 0.00 1.91 1.97 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.84 3.92 0.00 4.09 4.21 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 0.00 0.00 0.00 0.00 72 K 7.74 4.80 0.00 1.79 1.32 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.61 7.81 73 G 8.41 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.11 0.00 2.07 1.95 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 75 Y 7.77 4.55 0.00 3.10 2.88 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 76 K 9.04 3.67 0.00 1.98 2.00 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.50 7.81 77 G 8.79 4.32 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 0.00 78 I 8.02 4.59 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 1.31 1.71 0.94 0.00 0.00 79 E 8.82 4.23 0.00 1.91 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 2.41 2.33 0.00