NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9910 8.0393 114.0476 60.1914 32.9792 174.8374 2 P 4.2400 0.0000 0.0000 62.1842 31.8413 172.7315 3 V 4.5227 8.0798 116.2081 60.6347 34.7470 175.7052 4 G 3.8470 7.9144 115.7178 45.6586 0.0000 172.1334 5 S 3.9052 8.0395 107.0585 58.9890 60.9555 171.6512 6 D 4.8625 7.4272 118.6186 54.3416 42.7722 175.3074 7 C 4.8276 7.6595 115.9305 55.2643 46.3438 172.3784 8 E 4.7242 8.3852 122.8224 53.3651 31.8000 173.9065 9 P 4.3227 0.0000 0.0000 63.1372 30.7789 175.7167 10 K 4.5152 8.1420 121.4508 55.2885 33.7881 176.1737 11 L 4.7798 7.5029 114.6931 54.4399 43.3134 171.3501 12 C 4.9819 8.0513 117.2100 54.8052 39.0099 172.9923 13 T 4.9187 8.1683 108.3714 59.8448 71.5640 173.7913 14 M 4.7436 8.6515 121.5932 55.1843 33.0174 173.6649 15 D 4.3471 7.6198 117.2860 53.8841 44.4745 174.9832 16 L 4.7981 8.4022 119.5660 55.0114 42.0247 177.5233 17 V 4.4281 7.3847 119.0110 59.9046 32.3020 170.7106 18 P 5.0062 0.0000 0.0000 62.8295 32.1770 175.4801 19 H 4.8127 9.3697 121.0481 53.8942 33.3867 171.4044 20 C 4.8407 7.5664 116.6544 55.6696 43.2113 173.5949 21 F 4.6693 8.8159 120.7109 55.4950 43.5955 173.0833 22 L 5.1198 8.6393 122.1630 53.6461 43.5408 175.0256 23 N 5.2851 8.9269 124.0476 50.8147 40.7363 174.3134 24 P 4.4878 0.0000 0.0000 64.6495 31.7665 176.6338 25 E 4.5658 8.0753 116.5075 56.4115 30.2998 175.7256 26 K 4.5545 7.9700 116.7306 55.9360 37.5093 176.5602 27 G 4.0777 7.9246 104.1613 44.0536 0.0000 175.9590 28 I 4.0986 8.6743 131.5810 61.1725 38.2327 173.7861 29 V 4.5427 8.9262 130.3032 61.2109 34.8004 174.0057 30 V 5.3527 8.4084 127.5522 59.7044 33.0011 175.5782 31 V 4.7485 8.5876 116.7032 60.2893 36.2999 172.8743 32 H 5.5546 7.9755 117.8927 53.9293 31.2636 173.4386 33 G 4.0650 9.2979 108.1002 44.2052 0.0000 175.3270 34 G 4.1219 8.9540 112.0184 47.0732 0.0000 176.5362 35 C 4.2059 8.1665 117.9855 60.1475 34.5167 175.8374 36 A 3.6953 7.6933 121.6032 54.6780 17.5383 179.5024 37 L 4.0378 7.5336 118.5263 58.2526 42.2648 179.1315 38 S 4.1614 8.5552 115.3460 61.6194 62.8810 176.6842 39 K 3.8820 8.4574 121.4490 59.7212 31.7958 178.5254 40 Y 4.3244 7.7043 119.2318 60.8993 38.4961 178.3317 41 K 3.7885 7.8958 119.9649 58.8145 31.9891 178.1187 42 C 4.2376 7.5406 118.4747 59.4043 43.8269 174.9356 43 Q 4.4290 8.1685 119.4510 57.6395 29.5483 176.8475 44 N 4.7465 7.7648 119.3209 50.1973 39.4312 172.9940 45 P 4.5233 0.0000 0.0000 63.4585 31.9937 177.7224 46 N 4.6312 7.7383 115.3393 54.4966 39.5001 174.9661 47 H 4.5676 7.5843 114.6014 55.2031 29.5230 174.0772 48 E 4.6176 8.4900 120.9688 53.8848 31.3755 174.9497 49 K 3.6570 9.1350 127.4618 56.2240 31.8290 176.0501 50 L 3.9197 7.9079 127.5422 55.6536 41.7109 178.2475 51 G 4.0149 8.4028 110.2478 45.1943 0.0000 172.4784 52 Y 4.5491 7.6171 118.3557 57.4131 39.5951 173.8053 53 T 4.5874 7.8043 114.4648 61.8281 69.8299 175.8802 54 H 4.3245 8.8265 121.5101 58.7810 28.9297 177.3644 55 E 4.1083 8.0771 117.2277 58.4096 29.8122 178.3287 56 C 4.4709 8.4942 118.0691 56.9679 38.1042 174.1955 57 E 3.7030 7.8533 120.6003 60.2896 29.0665 178.5903 58 E 3.9495 8.1423 118.0064 59.2026 29.5451 178.7388 59 A 4.0293 8.0549 120.6820 54.8733 18.0337 179.5685 60 I 3.5830 7.1242 118.0819 64.4878 37.2731 178.0843 61 K 4.1727 7.8326 117.4032 59.7066 33.0525 178.4881 62 N 4.4059 8.0484 116.3167 54.4231 38.6713 175.1590 63 A 4.5556 7.3907 122.8254 49.5404 20.5854 174.9040 64 P 4.3508 0.0000 0.0000 62.5462 31.8974 176.1889 65 R 4.6696 8.1667 119.0463 53.0640 32.1576 173.9862 66 P 4.3861 0.0000 0.0000 63.1867 31.3620 176.1983 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 3.99 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 0.84 0.00 0.00 0.89 0.00 0.00 2 P 0.00 4.24 0.00 2.21 2.09 0.00 3.20 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 3 V 8.08 4.52 2.07 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 0.63 0.00 0.00 0.97 0.00 0.00 4 G 7.91 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 5 S 8.04 3.91 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.43 4.86 0.00 2.90 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 7 C 7.66 4.83 0.00 2.92 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 8 E 8.39 4.72 0.00 2.05 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 2.14 2.24 0.00 9 P 0.00 4.32 0.00 2.18 2.12 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 10 K 8.14 4.52 0.00 1.66 1.73 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.43 7.81 11 L 7.50 4.78 0.00 1.63 1.56 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.05 4.98 0.00 2.91 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 13 T 8.17 4.92 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 1.21 0.00 0.00 14 M 8.65 4.74 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 15 D 7.62 4.35 0.00 2.75 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 16 L 8.40 4.80 0.00 1.58 1.56 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.38 4.43 2.16 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 1.00 0.00 0.00 1.00 0.00 0.00 18 P 0.00 5.01 0.00 2.11 2.13 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 19 H 9.37 4.81 0.00 2.96 2.40 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.57 4.84 0.00 2.94 2.79 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 21 F 8.82 4.67 0.00 2.77 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 22 L 8.64 5.12 0.00 1.88 1.82 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.93 5.29 0.00 2.84 2.79 0.00 0.00 6.42 8.08 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 24 P 0.00 4.49 0.00 2.19 2.20 0.00 3.77 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 2.08 2.10 0.00 25 E 8.08 4.57 0.00 1.97 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 2.34 2.20 0.00 26 K 7.97 4.55 0.00 1.70 1.71 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.39 7.81 27 G 7.92 4.08 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 0.00 0.00 0.00 28 I 8.67 4.10 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.84 0.92 0.00 0.00 29 V 8.93 4.54 2.16 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 1.07 0.00 0.00 1.00 0.00 0.00 30 V 8.41 5.35 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 0.65 0.00 0.00 0.94 0.00 0.00 31 V 8.59 4.75 2.05 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 0.67 0.00 0.00 0.97 0.00 0.00 32 H 7.98 5.55 0.00 3.20 3.38 0.00 5.31 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.30 4.07 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 0.00 34 G 8.95 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 0.00 0.00 0.00 0.00 35 C 8.17 4.21 0.00 2.93 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 A 7.69 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.53 4.04 0.00 1.89 1.88 1.21 1.29 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 38 S 8.56 4.16 0.00 4.01 3.88 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 39 K 8.46 3.88 0.00 1.84 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 40 Y 7.70 4.32 0.00 2.87 3.15 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 41 K 7.90 3.79 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 42 C 7.54 4.24 0.00 2.93 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 43 Q 8.17 4.43 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.14 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 44 N 7.76 4.75 0.00 2.33 2.12 0.00 0.00 6.65 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 45 P 0.00 4.52 0.00 2.12 2.23 0.00 3.25 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 46 N 7.74 4.63 0.00 2.77 2.92 0.00 0.00 6.98 8.13 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 47 H 7.58 4.57 0.00 3.10 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.49 4.62 0.00 1.94 1.87 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 2.24 2.31 0.00 49 K 9.13 3.66 0.00 1.92 1.78 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.66 7.81 50 L 7.91 3.92 0.00 1.47 1.58 0.90 1.00 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 51 G 8.40 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 52 Y 7.62 4.55 0.00 2.92 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 53 T 7.80 4.59 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 1.26 0.00 0.00 54 H 8.83 4.32 0.00 3.26 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.08 4.11 0.00 1.96 2.01 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 2.34 2.31 0.00 56 C 8.49 4.47 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.85 3.70 0.00 2.32 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 2.29 2.35 0.00 58 E 8.14 3.95 0.00 2.08 1.97 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 2.39 2.43 0.00 59 A 8.05 4.03 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 60 I 7.12 3.58 1.94 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 1.53 0.80 0.87 0.00 0.00 61 K 7.83 4.17 0.00 1.89 1.92 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 62 N 8.05 4.41 0.00 2.87 2.93 0.00 0.00 6.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.39 4.56 1.26 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 0.00 0.00 0.00 64 P 0.00 4.35 0.00 2.16 2.04 0.00 3.67 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 1.94 1.90 0.00 65 R 8.17 4.67 0.00 1.88 1.90 0.00 3.35 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 66 P 0.00 4.39 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00