NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1876 8.2993 121.7859 55.2954 32.3244 175.2287 2 P 4.2789 0.0000 0.0000 62.0413 32.0080 174.1626 3 D 4.6442 8.7049 119.5081 54.1465 42.8014 176.5579 4 A 4.8946 7.9159 121.7735 49.8653 22.0563 174.4608 5 P 4.6832 0.0000 0.0000 62.9727 32.3510 174.9261 6 C 5.0687 8.3527 111.0329 54.6755 42.2198 175.0509 7 I 4.6198 7.2293 116.4054 61.7042 38.2330 176.1370 8 C 4.4339 8.0736 119.5561 59.8071 41.2792 173.9881 9 T 4.1245 6.9079 109.8454 62.6000 69.9522 172.7035 10 M 4.8085 8.6443 122.8480 55.5355 33.5372 177.1275 11 Q 4.3809 8.0314 116.8719 60.0391 26.9584 178.4841 12 Y 4.2211 6.3813 119.5768 55.5553 37.8546 174.0478 13 D 4.9240 9.6370 127.2344 50.8126 41.2384 172.0250 14 P 4.4191 0.0000 0.0000 63.4969 32.6031 176.5361 15 V 4.6828 9.1052 120.0891 59.8437 33.8538 174.7042 16 C 4.9780 9.7793 127.2509 56.3555 40.3652 172.2080 17 G 4.5455 9.3998 114.6151 44.1729 0.0000 170.6804 18 S 4.2661 8.8559 120.8460 59.4343 62.4340 174.5580 19 D 5.4385 9.1474 135.0000 54.5307 41.3538 178.1158 20 G 4.1335 8.2822 107.5424 45.4999 0.0000 173.1019 21 I 4.2314 7.7382 118.8191 59.2096 40.0760 175.2001 22 T 4.5366 7.8683 121.1943 62.0664 68.1027 173.6006 23 Y 4.2632 8.9679 126.2945 56.8859 38.3641 177.4257 24 G 3.6602 8.6078 114.8666 48.9752 0.0000 173.3874 25 N 5.0564 8.1925 114.6997 51.7483 43.4766 175.0641 26 A 4.1374 8.8656 125.6831 55.6241 18.4541 180.9184 27 C 4.3445 8.0624 114.4455 60.5920 41.6261 175.5638 28 M 3.8720 8.1289 119.7450 58.5359 31.3874 178.3553 29 L 3.5432 8.4108 120.4085 58.2990 42.1009 178.8809 30 L 3.8015 7.9668 118.9938 58.3081 41.5082 178.9172 31 C 5.0400 8.5562 119.2857 58.8973 42.9391 175.2794 32 A 3.9784 8.5859 123.1456 55.0594 17.8900 179.3740 33 S 3.9464 7.9990 110.0808 61.2916 62.3129 176.0848 34 A 4.8964 7.6909 124.4636 53.8677 19.2205 178.8642 35 R 4.5219 7.7771 111.9464 54.8780 29.3387 174.5356 36 S 4.3821 7.6582 113.3807 58.9605 63.6403 172.1443 37 D 4.5734 7.8499 123.7545 55.3071 47.0946 176.2029 38 T 4.5892 7.6102 112.3388 61.4123 72.3290 171.6658 39 P 4.3549 0.0000 0.0000 63.0796 29.9378 176.3641 40 I 4.5825 7.6958 116.0671 60.3433 39.2420 176.2620 41 E 4.4376 8.6306 122.4603 54.7603 32.2925 173.7360 42 L 4.1672 8.0914 126.0140 53.8309 43.1484 176.6257 43 V 4.5172 8.8078 114.8413 62.6114 36.8385 175.7943 44 H 4.7022 7.6584 115.9535 53.5837 31.3429 174.8238 45 K 4.5233 8.7681 125.3522 54.0960 29.7221 175.8916 46 G 4.3649 6.9964 105.7373 46.3330 0.0000 170.8909 47 R 4.1488 8.5533 116.4588 57.6165 29.0943 177.4104 48 C 4.7327 7.9722 118.7965 57.5451 41.4686 173.9108 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 K 8.30 4.19 0.00 1.69 1.81 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.48 7.81 2 P 0.00 4.28 0.00 2.29 2.08 0.00 3.80 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 1.98 2.04 0.00 3 D 8.70 4.64 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.92 4.89 1.19 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 5 P 0.00 4.68 0.00 2.20 2.11 0.00 3.71 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 1.99 1.95 0.00 6 C 8.35 5.07 0.00 3.10 3.19 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 7 I 7.23 4.62 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.92 0.00 0.00 8 C 8.07 4.43 0.00 2.97 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 9 T 6.91 4.12 4.26 0.00 0.00 0.00 0.00 0.00 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 10 M 8.64 4.81 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 11 Q 8.03 4.38 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 12 Y 6.38 4.22 0.00 2.85 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 13 D 9.64 4.92 0.00 3.03 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 1.97 1.86 0.00 3.51 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.42 0.00 15 V 9.11 4.68 2.11 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 0.77 0.00 0.00 1.03 0.00 0.00 16 C 9.78 4.98 0.00 3.40 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 17 G 9.40 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.86 4.27 0.00 3.85 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 19 D 9.15 5.44 0.00 2.98 2.81 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 20 G 8.28 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 4.23 1.19 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.25 0.00 0.00 22 T 7.87 4.54 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 1.20 0.00 0.00 23 Y 8.97 4.26 0.00 3.12 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.19 5.06 0.00 2.72 2.67 0.00 0.00 7.52 7.62 0.00 0.00 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 8.87 4.14 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 C 8.06 4.34 0.00 2.99 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 28 M 8.13 3.87 0.00 2.15 2.48 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.68 0.00 29 L 8.41 3.54 0.00 1.64 1.45 0.62 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.97 3.80 0.00 1.84 1.70 0.90 0.91 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 31 C 8.56 5.04 0.00 3.13 3.24 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 0.00 32 A 8.59 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 3.95 0.00 3.76 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 34 A 7.69 4.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 4.52 0.00 1.90 1.94 0.00 3.22 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 36 S 7.66 4.38 0.00 3.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.57 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.59 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 39 P 0.00 4.35 0.00 2.03 2.03 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 40 I 7.70 4.58 1.85 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.51 1.16 0.00 0.00 41 E 8.63 4.44 0.00 1.87 1.85 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 2.26 2.26 0.00 42 L 8.09 4.17 0.00 1.60 1.54 0.95 0.99 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 43 V 8.81 4.52 1.58 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 0.80 0.00 0.00 0.94 0.00 0.00 44 H 7.66 4.70 0.00 3.14 3.36 0.00 5.46 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.77 4.52 0.00 1.77 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 46 G 7.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.55 4.15 0.00 1.80 1.90 0.00 3.34 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 48 C 7.97 4.73 0.00 3.03 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