NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.6485 8.4549 118.1658 56.7054 41.5792 172.9017 9 S 4.3084 8.2129 117.8909 56.5058 62.9929 172.5369 10 Q 4.0203 9.1905 123.3635 57.6177 30.2716 175.1411 11 N 4.0374 8.7916 119.2671 54.1013 36.2727 173.3776 12 E 5.1833 7.5785 111.3206 54.9552 34.2623 174.9883 13 Y 4.9548 8.4628 119.1537 54.9527 41.9057 174.4534 14 F 4.2485 8.9074 123.5565 57.9287 40.4228 174.2280 15 D 4.6632 7.6014 127.2468 53.5219 41.3216 177.3233 16 S 4.2303 8.8094 122.7691 60.3919 63.0610 176.0259 17 L 4.1265 7.8507 123.1978 57.9425 42.1456 178.1106 18 L 4.1838 7.9284 114.9183 54.2368 43.1595 175.9189 19 H 3.5957 7.5488 115.1513 55.3381 27.0044 173.5906 20 A 4.3853 5.8280 117.5456 51.1917 22.7917 177.7623 21 C 4.7731 8.8058 117.7434 56.9629 36.5284 173.4959 22 I 4.6407 7.8924 123.2727 58.5214 40.9397 173.5217 23 P 4.6471 0.0000 0.0000 62.7958 32.0259 178.3647 24 C 4.4463 8.3800 119.1929 59.6953 36.5863 176.3398 25 Q 4.1220 8.1906 119.8188 59.1930 28.1126 178.4489 26 L 4.3159 7.7198 117.4781 56.1273 41.7217 177.7640 27 R 4.5934 7.7642 117.2387 56.0638 30.9047 176.4785 28 C 4.5735 8.0223 115.8041 58.3229 40.4304 174.7001 29 S 4.1897 7.8798 113.6532 59.8607 63.5107 175.1313 30 S 4.2774 7.4368 116.7208 58.3207 63.2162 173.9443 31 N 4.3526 8.9572 121.7481 56.2859 38.3199 175.7552 32 T 4.4049 7.4579 116.7865 60.7552 69.7392 172.1217 33 P 4.3677 0.0000 0.0000 61.2016 32.4580 174.9890 34 P 4.4031 0.0000 0.0000 62.3202 31.7679 177.9473 35 L 4.0510 8.3921 120.1309 58.0886 41.3599 179.6361 36 T 4.0416 7.8841 107.6314 63.8892 69.0194 176.1030 37 C 4.6924 7.9863 120.8900 58.8072 40.6874 176.3696 38 Q 4.0089 7.7700 124.2271 60.7461 27.7356 184.1997 39 R 4.3286 7.9375 120.8404 61.3851 29.6673 180.5616 40 Y 4.4439 7.9830 119.0558 60.8979 38.7141 177.9189 41 C 4.6101 7.9340 115.5927 58.2227 40.0787 174.0669 42 N 4.5216 7.7014 123.3438 52.5614 37.1061 179.0572 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 C 8.45 4.65 0.00 3.02 3.12 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 0.00 9 S 8.21 4.31 0.00 3.93 3.81 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 0.00 0.00 0.00 0.00 10 Q 9.19 4.02 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.40 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 11 N 8.79 4.04 0.00 2.79 2.26 0.00 0.00 6.82 7.66 0.00 0.00 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 E 7.58 5.18 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 13 Y 8.46 4.95 0.00 3.03 2.95 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 8.91 4.25 0.00 3.02 3.08 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 0.00 0.00 0.00 15 D 7.60 4.66 0.00 2.16 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 0.00 0.00 0.00 0.00 16 S 8.81 4.23 0.00 3.94 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 17 L 7.85 4.13 0.00 1.65 1.86 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.93 4.18 0.00 1.48 1.59 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 19 H 7.55 3.60 0.00 3.23 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 5.83 4.39 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.81 4.77 0.00 2.84 3.12 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 0.00 22 I 7.89 4.64 1.18 0.00 0.00 0.59 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 0.96 0.91 0.00 0.00 23 P 0.00 4.65 0.00 2.17 1.93 0.00 3.56 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 24 C 8.38 4.45 0.00 2.23 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 25 Q 8.19 4.12 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 26 L 7.72 4.32 0.00 1.75 1.77 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.76 4.59 0.00 1.73 1.77 0.00 3.30 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.37 0.00 28 C 8.02 4.57 0.00 3.00 3.17 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 0.00 29 S 7.88 4.19 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.44 4.28 0.00 3.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.96 4.35 0.00 2.70 2.88 0.00 0.00 6.76 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 32 T 7.46 4.40 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 33 P 0.00 4.37 0.00 1.99 2.06 0.00 3.66 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 2.01 2.19 0.00 34 P 0.00 4.40 0.00 1.86 1.75 0.00 3.23 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.61 0.00 35 L 8.39 4.05 0.00 1.68 1.71 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.88 4.04 4.28 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 0.00 0.00 0.00 1.24 0.00 0.00 37 C 7.99 4.69 0.00 3.10 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 38 Q 7.77 4.01 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 39 R 7.94 4.33 0.00 1.90 1.88 0.00 3.24 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 40 Y 7.98 4.44 0.00 3.01 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 41 C 7.93 4.61 0.00 3.00 3.12 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 0.00 42 N 7.70 4.52 0.00 2.69 2.59 0.00 0.00 6.76 8.17 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