NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.9284 8.2876 117.8744 55.5527 30.5120 175.0636 2 P 4.3057 0.0000 0.0000 64.0060 30.7441 172.5531 3 V 3.5168 8.5227 119.1302 65.1179 32.0369 178.0318 4 Y 4.1675 7.7958 115.7382 60.5112 37.7141 177.6678 5 T 4.0725 8.5372 117.3183 66.2239 68.4883 177.0035 6 I 3.9565 7.3828 121.5083 64.0165 36.9637 178.3479 7 L 4.0090 7.7213 119.5427 57.3927 41.0872 179.4425 8 A 4.0412 7.7645 120.7395 55.2472 18.3756 179.7135 9 V 3.4872 7.5248 114.1348 64.8686 31.2540 178.0036 10 A 4.0398 7.7568 120.9208 55.0722 17.9820 178.7538 11 S 4.7699 7.6606 109.9207 58.5778 63.1592 175.5441 12 A 4.4179 7.2704 125.5230 54.5283 19.5825 180.1600 13 T 3.9146 7.6399 114.0769 66.5631 68.7054 177.1607 14 V 3.6942 7.4539 119.1938 64.8434 31.5132 178.0436 15 A 4.0180 7.3327 121.0895 55.4361 18.3421 178.8489 16 M 4.2963 7.8881 113.7206 56.7309 32.5301 177.7513 17 M 4.3104 7.6374 119.5182 57.7109 33.0975 178.4239 18 I 4.0322 7.7670 119.5601 64.1755 36.7451 178.9394 19 G 3.5841 8.1499 106.9761 47.4986 0.0000 175.7723 20 V 3.8591 7.6670 119.5755 65.2036 31.7274 178.1578 21 T 3.9224 8.3667 116.2708 66.4798 67.9724 176.8210 22 V 3.6413 7.8678 119.5773 65.2854 31.1730 177.6298 23 A 4.1321 7.7066 119.4521 53.6978 18.4289 179.1332 24 V 3.9911 7.7189 116.4771 65.1191 32.2212 178.0360 25 L 4.0133 8.0147 118.8518 57.9411 41.4446 179.0252 26 C 4.1124 7.9422 118.0081 62.0014 31.5155 175.3817 27 A 4.0898 7.4633 122.9779 54.8926 17.9160 179.4495 28 C 4.1150 8.5137 115.9218 62.9859 28.2299 176.2889 29 L 3.9913 8.2263 120.4658 57.5382 40.9153 179.3739 30 A 4.0162 7.8733 120.2579 54.7188 18.6000 179.2702 31 R 4.1682 7.8204 115.6160 58.1739 30.0268 179.0441 32 R 4.1352 8.1718 118.4052 58.3839 30.1914 177.6670 33 E 4.4971 8.1604 115.7179 56.6764 29.4164 176.7737 34 C 4.7144 7.8281 116.8809 61.0659 30.8005 175.5423 35 L 4.1509 7.7154 118.0726 57.4758 41.5683 177.1803 36 T 4.1057 7.4548 119.0556 63.7575 68.3326 174.2201 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 1 H 8.29 4.93 0.00 3.25 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.31 0.00 2.36 2.34 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 3 V 8.52 3.52 1.77 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 0.81 0.00 0.00 0.87 0.00 0.00 4 Y 7.80 4.17 0.00 3.21 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 5 T 8.54 4.07 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 1.24 0.00 0.00 6 I 7.38 3.96 1.94 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 1.53 1.41 0.90 0.00 0.00 7 L 7.72 4.01 0.00 1.72 1.68 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.76 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.52 3.49 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 1.01 0.00 0.00 0.97 0.00 0.00 10 A 7.76 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.77 0.00 3.92 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 12 A 7.27 4.42 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.64 3.91 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 14 V 7.45 3.69 2.16 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 1.01 0.00 0.00 0.95 0.00 0.00 15 A 7.33 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.89 4.30 0.00 2.02 2.12 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 2.76 2.57 0.00 17 M 7.64 4.31 0.00 2.02 2.18 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 2.69 2.56 0.00 18 I 7.77 4.03 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 1.45 1.09 0.91 0.00 0.00 19 G 8.15 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 0.00 0.00 0.00 20 V 7.67 3.86 2.22 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 1.07 0.00 0.00 0.95 0.00 0.00 21 T 8.37 3.92 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 1.21 0.00 0.00 22 V 7.87 3.64 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 1.01 0.00 0.00 0.99 0.00 0.00 23 A 7.71 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.99 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 1.10 0.00 0.00 0.94 0.00 0.00 25 L 8.01 4.01 0.00 1.85 1.70 0.92 0.70 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 26 C 7.94 4.11 0.00 3.06 2.99 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 27 A 7.46 4.09 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 28 C 8.51 4.11 0.00 3.12 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 29 L 8.23 3.99 0.00 1.68 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.87 4.02 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 31 R 7.82 4.17 0.00 1.94 1.98 0.00 3.12 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 32 R 8.17 4.14 0.00 1.89 1.96 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 33 E 8.16 4.50 0.00 2.08 1.96 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 2.33 2.36 0.00 34 C 7.83 4.71 0.00 2.99 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 35 L 7.72 4.15 0.00 1.70 1.73 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.45 4.11 4.35 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 1.21 0.00 0.00