NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4143 8.0393 113.9975 61.7838 33.4998 173.9205 2 K 4.1897 8.6806 119.0109 55.5663 35.1540 173.7838 3 D 4.6042 8.6851 120.6124 52.4177 44.1805 175.6516 4 G 2.3774 5.7624 105.5557 42.6789 0.0000 172.4577 5 Y 5.0316 7.5083 117.4796 56.8040 38.8038 176.6417 6 I 4.3680 8.2530 118.1241 61.3310 38.6121 174.1983 7 A 4.8860 8.2891 122.2595 51.0821 22.5472 175.4496 8 D 4.8021 8.2688 119.2561 51.6544 41.6851 176.7993 9 D 4.2806 8.5947 117.3840 56.9727 41.3019 177.0738 10 R 4.3615 8.3988 117.5191 55.4301 30.0763 176.0320 11 N 4.2686 8.0417 114.3120 54.6374 38.0914 173.2630 12 C 4.6736 7.4388 112.6800 53.8527 42.0216 171.7112 13 P 4.7526 0.0000 0.0000 62.9798 31.7771 176.4391 14 Y 4.4734 7.7063 114.9453 54.9921 37.8206 173.1604 15 F 4.5844 7.6064 118.8310 58.2369 39.5763 173.6790 16 C 5.3870 8.4332 121.3401 54.9453 44.2359 173.4962 17 G 4.2724 8.3908 105.4522 43.9386 0.0000 174.1110 18 R 4.5185 7.7424 116.2498 53.6410 34.8270 174.4976 19 N 4.3937 9.0369 121.8131 56.5959 38.6686 176.9439 20 A 4.0316 8.1455 121.2504 55.4987 18.4892 178.5202 21 Y 4.1894 8.2139 117.1747 61.4904 38.8174 179.0956 22 C 4.2701 8.4704 117.0682 60.1598 41.4154 175.3286 23 D 4.4127 8.5626 120.1689 57.3439 40.7796 178.3320 24 G 3.6599 8.3393 105.8988 47.8087 0.0000 174.7599 25 E 3.6526 7.9388 121.4625 59.3049 29.5449 178.1674 26 C 4.1837 8.1536 118.2428 59.4679 44.6607 175.7291 27 K 3.9002 8.1568 120.1142 59.5457 31.5050 179.5859 28 K 3.9836 8.1381 117.4610 58.9994 31.9481 178.1841 29 N 4.5839 7.6483 114.3425 52.3475 38.8976 174.9216 30 R 3.7017 7.9608 118.1697 57.5623 27.9134 175.3449 31 A 5.1743 7.7695 118.6676 49.5073 21.6459 177.5221 32 E 4.1536 9.1262 120.0370 58.4471 29.4551 176.7954 33 S 4.7647 7.8237 113.4180 57.4126 67.6379 173.2373 34 G 4.5393 8.7632 109.9750 44.7526 0.0000 171.3568 35 Y 5.2032 8.2148 119.5822 55.4915 42.1191 173.1360 36 C 5.2763 9.0541 118.6484 56.7495 42.3533 172.9177 37 Q 4.9849 9.6108 124.9639 53.9813 32.7667 174.0109 38 W 5.3098 8.1395 121.8584 55.5964 29.3945 174.2237 39 A 4.1135 9.2443 127.6688 52.5136 22.2278 176.4244 40 S 3.8666 8.1309 115.3563 57.1537 62.4875 171.7690 41 K 3.8772 8.8886 120.8000 59.8574 31.7154 177.6872 42 Y 4.0682 8.2763 114.6881 58.8519 39.2565 177.8493 43 G 3.8541 7.9005 108.2227 46.4934 0.0000 175.5258 44 N 5.2985 9.1693 126.8344 53.4580 39.1094 172.1961 45 A 4.6142 9.1120 127.1544 51.6256 24.1055 173.9310 46 C 5.1024 8.4060 120.8930 55.4113 45.6483 172.1773 47 W 4.3415 9.1347 135.0000 56.8157 31.6355 174.1742 48 C 5.1471 7.8399 124.5573 55.1970 43.4444 171.9743 49 Y 4.6832 8.6262 124.1030 56.5720 40.9477 172.3306 50 K 3.7769 8.7635 131.7693 56.1638 30.7400 173.8573 51 L 4.9526 8.2009 124.3801 51.3678 45.3123 175.0478 52 P 4.7232 0.0000 0.0000 62.1958 32.0896 176.8828 53 D 4.2597 8.4830 118.1814 57.1880 41.1834 176.9882 54 D 4.3324 8.0391 117.0950 56.0467 41.4780 176.0079 55 A 4.3363 7.5208 122.7795 50.6907 17.4170 176.5551 56 R 4.2479 7.8049 121.6642 55.2214 31.5869 175.8063 57 I 4.2384 7.7544 114.4512 59.9694 39.1118 174.6911 58 M 4.1314 8.5904 124.7708 56.5102 32.2419 175.3805 59 K 4.9315 8.9243 125.3687 53.9543 35.6530 174.3334 60 P 4.4603 0.0000 0.0000 62.6035 31.9885 175.0492 61 G 3.5017 8.2176 112.1705 45.4575 0.0000 173.3570 62 R 4.7281 7.1691 120.1005 56.1328 31.6991 175.0799 63 C 4.9408 7.5442 112.8686 58.0064 47.0275 175.8372 64 N 4.2524 8.3962 117.6130 56.8168 38.7977 176.4483 65 G 3.5917 8.2231 105.0892 46.8684 0.0000 173.6337 66 G 4.2002 7.3163 114.5949 45.7093 0.0000 173.1811 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 V 8.04 4.41 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 0.86 0.00 0.00 0.87 0.00 0.00 2 K 8.68 4.19 0.00 1.73 1.74 0.00 1.26 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.31 7.81 3 D 8.69 4.60 0.00 2.34 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 0.00 0.00 0.00 0.00 4 G 5.76 2.38 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 0.00 5 Y 7.51 5.03 0.00 2.71 2.82 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 6 I 8.25 4.37 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.80 0.00 0.00 7 A 8.29 4.89 1.21 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 0.00 0.00 8 D 8.27 4.80 0.00 2.75 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 0.00 0.00 0.00 0.00 9 D 8.59 4.28 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 4.36 0.00 1.93 1.82 0.00 3.31 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 11 N 8.04 4.27 0.00 2.79 2.82 0.00 0.00 6.99 8.46 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 12 C 7.44 4.67 0.00 3.25 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.75 0.00 1.65 1.97 0.00 3.49 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.87 0.00 14 Y 7.71 4.47 0.00 2.97 2.80 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 0.00 0.00 0.00 15 F 7.61 4.58 0.00 3.16 3.02 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 0.00 0.00 0.00 16 C 8.43 5.39 0.00 3.33 3.35 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 17 G 8.39 4.27 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 0.00 18 R 7.74 4.52 0.00 1.84 1.88 0.00 3.35 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 19 N 9.04 4.39 0.00 2.88 2.97 0.00 0.00 7.07 7.92 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 20 A 8.15 4.03 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 21 Y 8.21 4.19 0.00 3.04 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 22 C 8.47 4.27 0.00 3.38 3.39 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 23 D 8.56 4.41 0.00 2.90 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 24 G 8.34 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 E 7.94 3.65 0.00 1.91 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 1.92 2.01 0.00 26 C 8.15 4.18 0.00 3.21 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 27 K 8.16 3.90 0.00 2.06 1.81 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.74 7.81 28 K 8.14 3.98 0.00 1.82 1.80 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 29 N 7.65 4.58 0.00 2.88 2.77 0.00 0.00 7.11 7.53 0.00 0.00 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 R 7.96 3.70 0.00 1.93 2.00 0.00 3.11 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 31 A 7.77 5.17 1.28 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 0.00 0.00 0.00 32 E 9.13 4.15 0.00 2.20 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 2.40 2.39 0.00 33 S 7.82 4.76 0.00 3.87 3.85 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 0.00 0.00 0.00 34 G 8.76 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.21 5.20 0.00 3.15 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 36 C 9.05 5.28 0.00 3.09 3.29 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 0.00 37 Q 9.61 4.98 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.51 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 38 W 8.14 5.31 0.00 3.54 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 9.24 4.11 1.10 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 0.00 0.00 40 S 8.13 3.87 0.00 4.20 4.18 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 0.00 0.00 0.00 41 K 8.89 3.88 0.00 1.72 1.74 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.98 1.32 7.81 42 Y 8.28 4.07 0.00 2.56 2.37 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 43 G 7.90 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.17 5.30 0.00 2.88 2.88 0.00 0.00 6.63 8.02 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 45 A 9.11 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.41 5.10 0.00 3.21 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 47 W 9.13 4.34 0.00 3.19 2.39 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 48 C 7.84 5.15 0.00 2.71 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 49 Y 8.63 4.68 0.00 3.21 2.87 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 50 K 8.76 3.78 0.00 2.21 1.84 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.43 7.81 51 L 8.20 4.95 0.00 1.66 1.37 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.72 0.00 2.18 2.15 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 53 D 8.48 4.26 0.00 2.61 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 54 D 8.04 4.33 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.52 4.34 1.23 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 0.00 0.00 0.00 56 R 7.80 4.25 0.00 1.75 1.81 0.00 3.20 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 57 I 7.75 4.24 1.76 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.63 0.00 0.00 58 M 8.59 4.13 0.00 2.27 2.27 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 2.73 2.71 0.00 59 K 8.92 4.93 0.00 1.78 1.79 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.48 7.81 60 P 0.00 4.46 0.00 2.19 2.10 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 61 G 8.22 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.17 4.73 0.00 1.72 1.83 0.00 3.22 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 63 C 7.54 4.94 0.00 2.95 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 64 N 8.40 4.25 0.00 2.64 2.84 0.00 0.00 6.90 7.94 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 65 G 8.22 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.32 4.20 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 0.00