NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3418 8.1593 117.3762 63.0310 69.4424 172.7694 5 I 3.7668 8.2189 120.6335 60.1332 37.2442 174.3441 6 S 4.5890 8.4491 113.8325 55.9789 64.5253 172.3677 7 C 5.1949 8.2864 121.5683 54.1964 44.9320 173.7337 8 T 4.1698 8.2023 106.1008 63.2133 70.1347 173.9872 9 N 4.6566 7.9271 121.6407 51.6040 40.1966 175.7233 10 E 4.1374 8.5049 120.3603 59.1056 29.7570 178.7392 11 K 2.8142 7.7337 119.4830 58.1520 31.9207 178.3847 12 Q 4.0654 7.5788 117.3115 58.8234 28.9489 176.5317 13 C 4.8385 7.9456 116.0999 57.1152 34.7391 175.2683 14 Y 4.3144 8.1049 122.4282 60.3163 37.6930 176.5248 15 P 4.4788 0.0000 0.0000 65.2165 31.8120 177.6484 16 H 4.2105 8.0871 118.3951 59.7516 30.0141 177.7309 17 C 4.3571 8.2681 117.8957 59.4629 41.2695 175.9522 18 K 4.2116 7.8254 122.5435 58.9372 31.5936 178.5892 19 K 4.0885 7.7851 117.4246 58.9827 32.1892 177.9507 20 E 4.1490 7.8279 118.7731 58.4437 29.6138 178.1460 21 T 4.3348 8.1212 110.3084 63.0665 69.9787 175.3618 22 G 4.5181 8.0951 106.2122 45.1560 0.0000 172.7448 23 Y 4.4565 8.1927 118.8406 55.5570 39.8301 175.0466 24 P 4.3164 0.0000 0.0000 64.7011 32.2706 175.2206 25 N 4.4050 7.9815 116.5751 53.3972 38.8950 173.8180 26 A 5.2449 8.0408 124.1334 49.3244 22.9230 174.5088 27 K 4.5352 8.3756 119.1429 54.6537 36.4030 175.6946 28 C 5.8798 8.7022 123.4501 53.9853 42.2566 172.4246 29 M 4.7582 8.0351 125.2383 54.6024 34.6550 174.9882 30 N 3.9487 9.3285 122.5626 54.8910 36.1461 174.6537 31 R 4.6732 8.4514 111.8445 56.0316 28.2660 175.7485 32 K 4.8857 7.7580 116.7636 55.2994 35.7337 174.2197 33 C 6.1737 8.6564 118.0020 54.6261 37.2587 173.3485 34 K 4.9298 8.5221 119.8130 54.8652 36.4271 175.6035 35 C 5.2341 8.8845 119.5046 55.4229 42.0460 173.7137 36 F 4.6701 9.1257 122.5146 56.9709 39.2918 176.6582 37 G 3.4573 7.7485 107.9790 44.3503 0.0000 173.8463 38 R 3.9864 8.0290 121.6806 56.1592 29.2156 176.1340 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 4 T 8.16 4.34 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 1.25 0.00 0.00 5 I 8.22 3.77 1.79 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 0.50 0.79 0.00 0.00 6 S 8.45 4.59 0.00 3.92 3.86 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 0.00 0.00 0.00 7 C 8.29 5.19 0.00 3.05 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 8 T 8.20 4.17 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 1.19 0.00 0.00 9 N 7.93 4.66 0.00 2.71 2.62 0.00 0.00 7.06 7.63 0.00 0.00 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 E 8.50 4.14 0.00 2.30 2.18 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 2.35 2.35 0.00 11 K 7.73 2.81 0.00 1.40 1.52 0.00 1.10 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.09 0.21 7.81 12 Q 7.58 4.07 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 13 C 7.95 4.84 0.00 3.08 3.16 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 14 Y 8.10 4.31 0.00 3.15 3.05 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 0.00 0.00 0.00 15 P 0.00 4.48 0.00 2.31 2.35 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 16 H 8.09 4.21 0.00 3.25 3.49 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.27 4.36 0.00 3.07 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 18 K 7.83 4.21 0.00 1.93 1.81 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.28 7.81 19 K 7.79 4.09 0.00 1.85 1.88 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 20 E 7.83 4.15 0.00 2.15 1.89 0.00 0.00 0.00 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 2.23 0.00 21 T 8.12 4.33 4.23 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 0.00 0.00 1.21 0.00 0.00 22 G 8.10 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.19 4.46 0.00 3.06 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 24 P 0.00 4.32 0.00 1.84 2.11 0.00 3.33 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 25 N 7.98 4.41 0.00 2.92 2.87 0.00 0.00 6.72 7.81 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 26 A 8.04 5.24 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 27 K 8.38 4.54 0.00 1.48 1.53 0.00 1.46 0.00 0.00 1.39 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.38 7.81 28 C 8.70 5.88 0.00 2.94 3.01 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 0.00 0.00 0.00 29 M 8.04 4.76 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 30 N 9.33 3.95 0.00 2.93 2.91 0.00 0.00 7.11 7.67 0.00 0.00 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 8.45 4.67 0.00 2.03 1.99 0.00 3.34 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 32 K 7.76 4.89 0.00 1.83 1.88 0.00 1.30 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 33 C 8.66 6.17 0.00 2.88 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 34 K 8.52 4.93 0.00 1.70 1.88 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 35 C 8.88 5.23 0.00 2.87 3.04 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 0.00 0.00 0.00 0.00 36 F 9.13 4.67 0.00 2.99 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 37 G 7.75 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.99 0.00 1.85 1.90 0.00 3.04 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00