NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1087 8.4401 120.1932 55.7672 30.1761 174.3305 2 A 3.9707 8.4460 129.6382 52.6599 18.9563 174.0690 3 E 3.8551 8.8856 119.1359 58.7571 30.6393 175.3770 4 A 4.5337 7.8835 121.4602 51.6192 18.0332 176.2198 5 E 4.5964 8.6108 121.0908 57.2117 32.2067 177.1309 6 F 4.1566 8.1545 120.7979 58.1177 39.8918 175.3690 7 T 3.9743 7.2396 124.6863 62.9445 67.0719 173.9092 8 D 4.8169 8.2325 126.2985 52.6230 42.8451 176.8062 9 A 4.0863 8.7588 124.3880 55.3768 18.3157 178.9399 10 C 4.5580 8.9533 110.1500 58.3218 41.8094 175.3799 11 V 3.6319 7.7325 119.5297 64.7652 31.3931 175.9782 12 L 4.1692 7.7018 122.2733 53.5877 42.4101 174.7386 13 P 4.2191 0.0000 0.0000 62.9229 31.8548 175.7019 14 A 4.3552 7.9268 123.2411 51.2121 19.9994 176.8940 15 V 4.6420 7.8395 117.5782 61.3900 35.0988 175.5540 16 Q 4.2426 8.8993 124.8366 59.7733 28.7015 176.1854 17 G 4.3609 8.5256 101.2683 44.4269 0.0000 172.2040 18 P 4.2154 0.0000 0.0000 64.0905 31.5247 177.1863 19 C 4.5163 7.3200 116.9465 56.9640 40.8080 173.2671 20 R 3.5652 7.7524 115.8573 55.3245 31.7540 175.9729 21 G 3.4115 6.7681 107.4333 43.7643 0.0000 173.1253 22 W 5.1763 8.0034 119.9834 54.8321 31.8330 174.5827 23 E 4.6194 9.2208 128.3856 53.5404 30.6254 173.3030 24 P 4.7127 0.0000 0.0000 63.1297 32.2358 175.7089 25 R 4.8916 8.4218 122.1790 54.2752 35.1082 173.6294 26 W 5.4106 9.3474 118.3101 55.3413 32.5329 175.2334 27 A 5.4231 9.1383 124.0770 50.4094 22.3648 174.6593 28 Y 4.3999 9.1975 122.5410 57.3901 40.1207 175.0369 29 S 4.7001 8.2881 122.8117 56.0425 65.0629 173.4395 30 P 4.3988 0.0000 0.0000 65.5815 31.5047 178.6857 31 L 4.0413 7.9385 117.6108 56.6407 41.5970 177.4196 32 L 4.4239 7.5822 115.7185 53.5783 42.7310 175.6715 33 Q 3.2146 7.6502 118.6755 56.1017 28.2150 172.3264 34 Q 4.5109 7.1245 114.0732 55.3927 33.3260 171.7243 35 C 5.4309 9.3934 120.2987 55.9894 42.6348 173.2160 36 H 5.2039 9.0226 116.2398 53.2480 31.9894 171.1500 37 P 3.9482 0.0000 0.0000 62.6777 32.1902 175.1292 38 F 4.8425 8.7034 115.3420 55.9830 41.6845 173.1023 39 V 4.1165 8.3405 120.0991 62.4977 32.1693 174.3329 40 Y 4.9849 8.9341 128.5692 55.8673 42.3209 175.5084 41 G 4.0398 7.3968 106.4317 45.0758 0.0000 175.2464 42 G 3.9621 5.7773 108.2451 45.1437 0.0000 171.6871 43 C 5.1521 6.6041 112.0399 53.0858 39.3017 172.6608 44 E 3.8909 8.1528 116.8070 56.8465 29.3620 177.1238 45 G 4.4067 8.2215 110.3794 45.6448 0.0000 171.7964 46 N 4.7735 8.5856 117.6086 51.6932 40.0276 175.7520 47 G 3.6553 8.3284 106.9459 47.4757 0.0000 174.5375 48 N 4.5773 7.6958 119.5863 52.1939 37.0297 172.3640 49 N 4.9642 7.0154 116.4891 51.8819 41.7686 173.1926 50 F 4.6900 9.2639 124.3345 56.0129 42.3225 175.8990 51 H 4.7245 8.3458 118.8702 56.9837 29.1304 175.2723 52 S 4.1737 7.4435 112.3914 55.9969 65.3779 176.2853 53 R 2.5335 6.7872 119.7770 59.3535 29.5259 177.1209 54 E 3.7058 7.8779 118.3168 59.8772 29.4028 178.6300 55 S 4.2767 8.2030 113.5036 61.6428 63.0164 176.0130 56 C 2.6905 7.6821 121.6401 59.2581 38.7175 175.4902 57 E 3.8424 8.0865 120.1852 59.2127 28.7395 178.7767 58 D 4.2470 8.3299 117.7220 57.1922 41.2954 177.9759 59 A 4.2501 7.5497 120.3731 53.8916 19.5912 177.1374 60 C 4.6004 7.5082 114.7439 54.2011 40.4481 172.1179 61 P 4.8023 0.0000 0.0000 61.2307 32.4510 176.5860 62 V 4.2640 8.0166 118.5791 61.4507 32.7972 175.0238 63 V 4.5063 7.8928 124.4685 60.2758 34.7812 174.3831 64 D 4.4549 8.4564 122.2330 54.8306 41.7560 177.1905 65 H 4.7976 8.5451 123.6372 56.1929 26.7606 176.5987 66 H 4.6245 7.8007 120.4861 54.6437 26.7609 173.9251 67 H 4.5675 8.4766 114.7974 55.0028 27.6354 175.6285 68 H 4.3119 8.4815 123.0524 58.6061 28.8262 176.3506 69 H 4.5689 7.7884 114.4949 54.4442 29.4560 174.5721 70 H 4.2461 8.9674 118.2540 56.9072 29.5013 174.4803 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 E 8.44 4.11 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 2.19 2.24 0.00 2 A 8.45 3.97 1.36 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 3 E 8.89 3.86 0.00 2.00 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 0.00 2.27 2.23 0.00 4 A 7.88 4.53 1.22 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 0.00 0.00 0.00 5 E 8.61 4.60 0.00 2.03 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 2.22 2.53 0.00 6 F 8.15 4.16 0.00 3.00 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 7 T 7.24 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 8 D 8.23 4.82 0.00 2.95 2.60 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 9 A 8.76 4.09 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 10 C 8.95 4.56 0.00 3.02 3.41 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 11 V 7.73 3.63 2.19 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 0.84 0.00 0.00 0.99 0.00 0.00 12 L 7.70 4.17 0.00 1.63 1.77 0.91 0.75 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 13 P 0.00 4.22 0.00 2.05 1.96 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 14 A 7.93 4.36 0.39 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 15 V 7.84 4.64 2.19 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 1.01 0.00 0.00 1.00 0.00 0.00 16 Q 8.90 4.24 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 5.11 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 17 G 8.53 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 18 P 0.00 4.22 0.00 2.19 2.20 0.00 3.79 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 1.98 2.10 0.00 19 C 7.32 4.52 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.75 3.57 0.00 1.45 1.60 0.00 3.23 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 21 G 6.77 3.41 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 0.00 22 W 8.00 5.18 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.22 4.62 0.00 1.99 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 2.41 2.48 0.00 24 P 0.00 4.71 0.00 2.10 2.02 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 25 R 8.42 4.89 0.00 0.91 1.94 0.00 3.46 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 26 W 9.35 5.41 0.00 3.63 3.30 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 0.00 27 A 9.14 5.42 0.73 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 0.00 0.00 28 Y 9.20 4.40 0.00 2.91 3.05 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 0.00 0.00 0.00 0.00 29 S 8.29 4.70 0.00 3.77 3.68 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 30 P 0.00 4.40 0.00 2.29 2.52 0.00 3.74 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 31 L 7.94 4.04 0.00 1.63 1.75 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.58 4.42 0.00 1.61 1.60 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.65 3.21 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 34 Q 7.12 4.51 0.00 2.22 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 35 C 9.39 5.43 0.00 3.00 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 36 H 9.02 5.20 0.00 3.10 3.34 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 3.95 0.00 1.54 1.16 0.00 3.39 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 0.00 38 F 8.70 4.84 0.00 3.02 3.03 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 0.00 0.00 0.00 39 V 8.34 4.12 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 0.73 0.00 0.00 0.78 0.00 0.00 40 Y 8.93 4.98 0.00 2.42 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.40 4.04 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 0.00 0.00 0.00 42 G 5.78 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 0.00 0.00 0.00 43 C 6.60 5.15 0.00 3.08 3.03 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 0.00 0.00 0.00 44 E 8.15 3.89 0.00 2.15 1.99 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 2.44 2.47 0.00 45 G 8.22 4.41 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 0.00 46 N 8.59 4.77 0.00 2.71 2.77 0.00 0.00 7.09 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 47 G 8.33 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 48 N 7.70 4.58 0.00 2.99 2.70 0.00 0.00 7.08 8.24 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 49 N 7.02 4.96 0.00 2.58 2.32 0.00 0.00 6.05 5.12 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 50 F 9.26 4.69 0.00 3.48 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 51 H 8.35 4.72 0.00 3.17 3.44 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.44 4.17 0.00 3.70 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 6.79 2.53 0.00 0.67 1.24 0.00 3.00 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 54 E 7.88 3.71 0.00 1.92 1.72 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 2.32 2.33 0.00 55 S 8.20 4.28 0.00 4.34 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 0.00 56 C 7.68 2.69 0.00 3.12 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 57 E 8.09 3.84 0.00 1.98 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 2.43 2.35 0.00 58 D 8.33 4.25 0.00 2.60 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 59 A 7.55 4.25 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 60 C 7.51 4.60 0.00 2.04 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 0.00 0.00 0.00 61 P 0.00 4.80 0.00 2.15 2.08 0.00 3.26 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 62 V 8.02 4.26 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 0.90 0.00 0.00 1.01 0.00 0.00 63 V 7.89 4.51 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 0.88 0.00 0.00 0.92 0.00 0.00 64 D 8.46 4.45 0.00 2.67 2.54 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 65 H 8.55 4.80 0.00 3.17 3.40 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.80 4.62 0.00 3.12 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.48 4.57 0.00 2.86 3.26 0.00 5.33 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.48 4.31 0.00 3.25 3.48 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.79 4.57 0.00 3.32 3.70 0.00 5.56 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.97 4.25 0.00 3.18 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00