NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4806 8.1927 115.4202 57.6555 64.7157 174.2049 2 L 3.9393 8.4592 121.9809 57.9310 41.7506 175.5564 3 E 3.9675 8.9997 119.3755 59.7371 29.9157 178.7456 4 E 4.0687 8.1369 117.9118 59.3667 29.5394 179.6525 5 R 4.0292 8.2889 118.3024 59.1764 30.1390 179.2737 6 V 3.9279 8.2136 118.0973 66.1621 31.5352 178.2155 7 K 4.0892 8.2855 118.2615 59.5080 31.8204 178.9690 8 E 3.9786 8.4799 119.6202 59.3035 29.5737 178.8944 9 I 4.0090 7.8024 121.1057 63.9346 37.0757 178.5267 10 I 3.8071 8.0917 120.4747 64.3568 37.0099 178.3543 11 A 4.0335 8.3551 121.8211 55.1269 18.0458 179.5387 12 E 3.9154 8.4047 117.2060 59.5377 29.3321 179.4746 13 Q 3.9629 7.8306 118.1787 59.1106 28.2117 177.5130 14 L 4.4132 8.4082 119.3471 54.2484 41.8254 177.9481 15 G 3.8310 7.9821 106.3282 46.2401 0.0000 173.6834 16 V 4.3046 6.9275 115.8076 59.5385 33.4034 175.5716 17 E 4.2480 8.4143 121.2894 55.8588 30.3491 178.2831 18 K 4.0015 8.7631 122.0408 59.4831 32.3743 179.0670 19 E 4.0315 8.2156 117.2243 58.7926 29.4363 177.8205 20 K 4.2821 7.9530 116.1932 57.1397 32.9448 177.6821 21 I 4.1091 7.3558 122.2111 59.8849 35.6460 174.9537 22 T 4.5598 7.2454 113.6794 58.8240 71.7304 174.7687 23 P 4.2118 0.0000 0.0000 65.8607 31.3165 177.9296 24 E 4.1937 7.9470 113.5374 56.1668 30.0302 176.1283 25 A 4.2102 7.7686 124.5625 51.7024 19.1121 177.1421 26 K 4.5582 9.3599 123.9019 55.5678 33.2276 177.9872 27 F 4.1909 8.6823 123.4366 60.9416 38.9835 177.8402 28 V 3.9029 7.8100 119.6692 65.8997 31.8501 177.8082 29 E 4.1234 8.1882 118.7834 58.7590 29.6782 177.7210 30 D 4.6982 8.1794 117.0095 54.9209 42.1826 177.1594 31 L 4.4677 7.9449 115.7009 53.7705 42.1505 176.5344 32 G 3.8971 7.8663 104.7553 46.1647 0.0000 173.9201 33 A 4.2477 8.2696 123.3776 51.7320 18.9260 179.0265 34 D 4.8079 9.0685 124.3064 51.9120 42.8093 177.6093 35 S 4.1118 8.4662 113.5673 61.7129 62.5586 176.2210 36 L 3.9149 7.8819 123.2974 57.8556 41.8758 178.2876 37 D 4.2886 9.0334 119.2370 57.5243 40.8100 179.1393 38 V 3.3854 7.7454 118.5383 65.8416 31.5151 178.2004 39 V 3.5436 7.5340 117.6986 66.1375 31.3722 177.9475 40 E 3.9460 8.3845 118.4833 59.0491 29.1241 179.4098 41 L 3.4630 8.0154 119.5677 57.5569 41.6562 179.4560 42 I 3.8051 7.5254 119.6460 64.7311 37.0553 178.2770 43 M 4.1935 7.9619 119.1860 58.4704 31.7310 178.7748 44 A 3.8995 7.7932 120.7155 55.1473 18.5101 179.7225 45 F 4.6388 8.0144 116.5983 60.7540 39.0785 177.7663 46 E 4.2569 8.3943 119.5866 59.0554 29.0470 179.0991 47 E 3.9630 8.2299 119.3206 59.0746 29.4503 178.4479 48 E 3.6743 8.2185 118.5516 58.9594 29.8554 178.0081 49 F 4.7002 8.0065 114.1610 56.0702 39.6731 175.7610 50 G 4.0098 7.8308 106.5836 46.6199 0.0000 173.1240 51 I 4.7844 7.8012 110.6129 58.8501 41.2099 173.5148 52 E 4.9545 8.6294 119.0659 54.6558 31.6331 176.5526 53 I 4.4916 8.8489 124.3130 58.1259 37.8742 174.3066 54 P 4.3899 0.0000 0.0000 62.5694 33.0525 176.1357 55 D 4.3636 8.8075 119.3706 57.9313 40.7859 178.8229 56 E 3.9789 8.1685 115.7848 59.7835 29.6576 178.3977 57 D 4.4145 8.0310 118.8824 56.7334 41.0672 178.2481 58 A 3.9201 8.2607 121.7215 55.2850 18.1299 179.5800 59 E 3.9568 8.0896 115.7990 59.0704 29.6267 178.1212 60 K 4.1716 7.7176 115.8990 56.5597 32.4308 176.9152 61 I 4.1772 7.3862 121.1699 60.4639 36.4948 174.9590 62 Q 4.6527 9.4399 125.8106 55.8243 30.8843 176.0923 63 T 4.6839 7.6657 106.2001 58.7254 72.1125 174.8812 64 V 3.4428 7.7917 121.3865 66.0627 31.2939 178.3569 65 G 3.6014 8.3638 105.8004 47.7991 0.0000 175.3065 66 D 4.3715 7.8964 121.0392 57.1420 40.7731 179.0894 67 V 3.4612 7.5465 118.4845 65.9888 31.4758 178.1055 68 I 3.5399 7.6704 119.3537 64.5409 36.7666 178.2233 69 N 4.2849 8.2692 116.2355 56.3114 38.6231 176.6655 70 Y 4.1646 8.2016 120.9316 60.7903 38.9340 177.9756 71 L 3.7871 8.1664 120.1985 57.7381 41.4574 179.7161 72 K 4.0021 7.9769 117.1029 58.5651 32.0093 178.1398 73 E 4.3254 7.5867 116.7691 56.3462 29.8801 176.4781 74 K 4.3556 7.9966 117.5741 55.9837 34.3143 175.8961 75 V 4.5550 7.3489 109.9673 59.3443 35.3961 175.3931 76 G 3.6972 8.5747 108.6166 46.1416 0.0000 174.2953 77 G 4.0148 8.2452 113.1561 45.7091 0.0000 173.2793 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 S 8.19 4.48 0.00 4.15 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 3.94 0.00 1.84 1.69 0.66 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.00 3.97 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 4 E 8.14 4.07 0.00 2.19 2.04 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 2.36 2.52 0.00 5 R 8.29 4.03 0.00 2.32 2.13 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 6 V 8.21 3.93 2.29 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 1.06 0.00 0.00 0.99 0.00 0.00 7 K 8.29 4.09 0.00 2.06 1.91 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.63 7.81 8 E 8.48 3.98 0.00 2.14 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 0.00 2.33 2.54 0.00 9 I 7.80 4.01 2.30 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.70 0.00 0.00 10 I 8.09 3.81 2.20 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.28 1.14 0.00 0.00 11 A 8.36 4.03 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 12 E 8.40 3.92 0.00 2.19 2.00 0.00 0.00 0.00 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 2.61 0.00 13 Q 7.83 3.96 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 14 L 8.41 4.41 0.00 1.85 1.73 1.15 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.98 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.93 4.30 2.12 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 0.80 0.00 0.00 0.96 0.00 0.00 17 E 8.41 4.25 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 18 K 8.76 4.00 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.50 7.81 19 E 8.22 4.03 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 20 K 7.95 4.28 0.00 1.76 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 21 I 7.36 4.11 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.96 0.00 0.00 22 T 7.25 4.56 4.21 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 1.23 0.00 0.00 23 P 0.00 4.21 0.00 2.16 2.12 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 24 E 7.95 4.19 0.00 1.91 1.94 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 2.24 2.26 0.00 25 A 7.77 4.21 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 26 K 9.36 4.56 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.53 7.81 27 F 8.68 4.19 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.90 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 1.03 0.00 0.00 1.00 0.00 0.00 29 E 8.19 4.12 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 30 D 8.18 4.70 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.47 0.00 1.92 1.77 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.87 3.90 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 0.00 0.00 0.00 33 A 8.27 4.25 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 34 D 9.07 4.81 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.11 0.00 4.06 4.17 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 36 L 7.88 3.91 0.00 1.76 1.85 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.03 4.29 0.00 2.91 2.67 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 0.00 0.00 0.00 0.00 38 V 7.75 3.39 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 0.92 0.00 0.00 0.96 0.00 0.00 39 V 7.53 3.54 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 0.94 0.00 0.00 0.92 0.00 0.00 40 E 8.38 3.95 0.00 2.06 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 2.27 2.50 0.00 41 L 8.02 3.46 0.00 1.46 1.16 0.55 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.53 3.81 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.02 0.94 0.00 0.00 43 M 7.96 4.19 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 44 A 7.79 3.90 1.09 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 0.00 0.00 45 F 8.01 4.64 0.00 3.30 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 46 E 8.39 4.26 0.00 2.27 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 0.00 2.57 2.49 0.00 47 E 8.23 3.96 0.00 2.12 1.92 0.00 0.00 0.00 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 2.44 0.00 48 E 8.22 3.67 0.00 1.93 1.80 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 1.79 1.47 0.00 49 F 8.01 4.70 0.00 3.31 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 4.01 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 0.00 0.00 0.00 51 I 7.80 4.78 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.09 1.04 0.00 0.00 52 E 8.63 4.95 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 53 I 8.85 4.49 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 0.79 0.00 0.00 54 P 0.00 4.39 0.00 2.28 2.23 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 55 D 8.81 4.36 0.00 2.80 2.74 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 0.00 0.00 0.00 0.00 56 E 8.17 3.98 0.00 2.16 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 0.00 2.29 2.43 0.00 57 D 8.03 4.41 0.00 2.79 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.26 3.92 1.35 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 0.00 0.00 0.00 59 E 8.09 3.96 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 60 K 7.72 4.17 0.00 1.84 1.82 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 61 I 7.39 4.18 1.99 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 0.50 1.03 0.00 0.00 62 Q 9.44 4.65 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 63 T 7.67 4.68 4.30 0.00 0.00 0.00 0.00 0.00 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 64 V 7.79 3.44 2.12 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 0.97 0.00 0.00 0.65 0.00 0.00 65 G 8.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.90 4.37 0.00 2.94 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 67 V 7.55 3.46 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 0.12 0.00 0.00 1.07 0.00 0.00 68 I 7.67 3.54 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.85 0.00 0.00 69 N 8.27 4.28 0.00 2.70 2.88 0.00 0.00 7.07 7.19 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 70 Y 8.20 4.16 0.00 3.10 3.07 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 71 L 8.17 3.79 0.00 1.61 1.22 0.32 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.98 4.00 0.00 1.79 1.81 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.63 7.81 73 E 7.59 4.33 0.00 1.89 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 2.45 2.41 0.00 74 K 8.00 4.36 0.00 1.56 1.67 0.00 1.43 0.00 0.00 1.27 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.98 0.82 7.81 75 V 7.35 4.55 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 0.78 0.00 0.00 0.87 0.00 0.00 76 G 8.57 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.25 4.01 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 0.00 0.00 0.00