NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.1371 8.4549 115.4435 54.1669 40.7965 172.3677 7 P 3.7573 0.0000 0.0000 61.2689 30.5139 175.1918 8 L 4.2881 8.5156 125.1862 56.1440 43.1179 176.7072 9 S 4.6066 7.3878 109.3825 59.4034 64.4840 174.1227 10 H 3.9955 8.5545 119.2231 58.2921 29.4196 173.4334 11 D 4.2855 9.1748 119.1217 53.3349 37.0236 172.6431 12 G 4.2466 8.5664 110.0215 45.7855 0.0000 172.4285 13 Y 3.8565 8.2478 121.8064 60.2674 39.0533 176.8157 14 C 4.3068 8.0449 115.9341 56.5620 35.8901 173.7502 15 L 4.0361 8.6103 124.5009 55.1294 43.5467 175.8583 16 H 3.8541 8.8738 108.6136 59.3585 25.0942 174.2127 17 D 4.2508 7.6262 122.7131 54.9405 38.9079 174.0961 18 G 4.2167 7.5153 104.8670 44.8882 0.0000 174.4764 19 V 4.6048 8.0797 118.7205 59.8105 34.6252 173.9912 20 C 4.9925 9.0415 126.2503 56.9096 38.6966 172.1792 21 M 4.5094 8.7371 122.4093 55.1576 34.9180 172.3484 22 Y 3.8678 8.0801 120.3529 56.4670 39.9556 175.1352 23 I 4.1871 7.9646 130.2535 59.8731 37.3464 176.5060 24 E 3.9076 9.0154 128.8191 59.1954 29.5852 179.0390 25 A 3.4276 8.0433 119.3569 54.5592 18.3253 177.7736 26 L 4.4150 7.6641 112.9785 54.0389 42.5962 176.0430 27 D 4.2781 8.4317 118.5935 53.2217 39.0440 172.6640 28 K 4.4305 6.5585 115.7913 55.8404 37.6769 175.7961 29 Y 4.6513 8.6166 118.9909 56.7900 38.1231 174.7640 30 A 4.8980 8.3381 125.6811 49.8884 23.6239 173.4367 31 C 4.7204 8.8026 115.5810 57.0654 36.0687 174.7499 32 N 4.7365 8.9467 124.2126 52.1248 37.6568 173.4365 33 C 4.8697 8.3729 120.9417 56.0350 36.9003 173.0919 34 V 4.1091 8.3848 119.5776 60.7630 32.2898 175.7596 35 V 2.8856 7.8621 114.4223 61.9301 31.7653 174.7277 36 G 3.2058 5.6436 116.5572 46.1008 0.0000 173.7102 37 Y 4.6487 7.4225 116.8725 57.1009 38.9108 174.6183 38 I 4.7356 8.8684 115.1074 59.4886 41.3293 174.5508 39 G 4.5671 8.9998 106.0561 45.4464 0.0000 174.4747 40 E 3.9426 8.7355 119.1152 59.1937 29.5618 179.1655 41 R 4.3753 7.5020 114.6286 55.6913 31.0177 176.6792 42 C 4.6473 8.0586 113.1938 57.8889 32.5237 175.7412 43 Q 3.6831 7.7159 121.2411 58.4863 28.7629 175.9696 44 Y 5.2532 6.8399 112.4267 56.6889 40.4532 174.7484 45 R 4.4291 8.5460 121.0905 54.5322 33.1167 174.6628 46 D 4.7015 8.3675 126.2254 52.6420 41.8096 176.5607 47 L 4.2118 8.5328 124.9718 55.5926 41.8489 177.7973 48 K 4.4226 8.2192 119.4068 55.8497 32.8428 175.4589 49 W 4.8877 7.6820 128.1642 55.9743 31.6430 175.3111 50 W 4.3385 8.7473 124.8793 56.8843 29.5191 175.2353 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 6 C 8.45 4.14 0.00 3.12 3.31 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 7 P 0.00 3.76 0.00 1.92 1.94 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.80 0.00 8 L 8.52 4.29 0.00 1.51 1.63 0.98 1.09 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 9 S 7.39 4.61 0.00 3.85 3.78 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 10 H 8.55 4.00 0.00 3.10 3.41 0.00 6.13 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.17 4.29 0.00 2.89 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 12 G 8.57 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 13 Y 8.25 3.86 0.00 2.78 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 14 C 8.04 4.31 0.00 2.99 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 15 L 8.61 4.04 0.00 1.53 1.17 0.71 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.87 3.85 0.00 2.13 2.40 0.00 6.04 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.63 4.25 0.00 2.66 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 7.52 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 19 V 8.08 4.60 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 0.68 0.00 0.00 0.96 0.00 0.00 20 C 9.04 4.99 0.00 3.12 3.11 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 0.00 0.00 0.00 0.00 21 M 8.74 4.51 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 22 Y 8.08 3.87 0.00 1.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 4.19 1.68 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 1.05 0.33 0.84 0.00 0.00 24 E 9.02 3.91 0.00 2.08 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 2.66 2.37 0.00 25 A 8.04 3.43 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 26 L 7.66 4.41 0.00 1.56 1.55 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.43 4.28 0.00 2.61 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 28 K 6.56 4.43 0.00 1.51 1.61 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.65 7.81 29 Y 8.62 4.65 0.00 2.88 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 30 A 8.34 4.90 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.80 4.72 0.00 3.02 3.06 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 32 N 8.95 4.74 0.00 2.76 2.83 0.00 0.00 6.84 7.74 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 33 C 8.37 4.87 0.00 3.03 3.09 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 34 V 8.38 4.11 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 0.78 0.00 0.00 0.92 0.00 0.00 35 V 7.86 2.89 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.80 0.00 0.00 36 G 5.64 3.21 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 0.00 37 Y 7.42 4.65 0.00 3.01 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 38 I 8.87 4.74 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 1.09 0.00 0.00 39 G 9.00 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.74 3.94 0.00 1.88 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 0.00 2.34 2.45 0.00 41 R 7.50 4.38 0.00 1.50 1.59 0.00 2.61 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.32 0.00 42 C 8.06 4.65 0.00 3.06 3.22 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 43 Q 7.72 3.68 0.00 1.43 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.85 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 44 Y 6.84 5.25 0.00 3.05 2.80 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 0.00 0.00 0.00 45 R 8.55 4.43 0.00 1.62 1.58 0.00 2.97 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 46 D 8.37 4.70 0.00 2.90 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 47 L 8.53 4.21 0.00 1.75 1.91 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.22 4.42 0.00 1.85 1.87 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.55 7.81 49 W 7.68 4.89 0.00 3.22 2.85 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 50 W 8.75 4.34 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00