NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2435 8.1133 117.2706 56.0808 30.2198 177.0689 11 S 3.9698 8.5366 112.3601 58.6979 62.4244 173.9892 12 G 3.6624 7.7352 110.8785 47.3196 0.0000 175.7805 13 R 4.0157 7.6423 117.0258 58.8162 29.9061 177.9233 14 F 4.9948 8.2754 117.5048 58.6692 39.2370 176.4808 15 G 3.7108 8.0660 108.0307 47.1066 0.0000 174.1654 16 A 4.5060 8.5546 127.3445 52.1758 19.0054 177.2070 17 R 4.1097 7.4515 117.4501 57.3792 31.5504 176.5742 18 Y 3.9215 8.0275 116.8733 57.2919 36.5420 170.9417 19 G 4.0618 7.9091 103.3147 45.4277 0.0000 173.6661 20 R 3.9632 8.1290 116.8533 58.8284 29.8134 179.1343 21 V 3.8296 7.7491 116.9450 66.7257 31.4415 178.1397 22 S 4.1111 8.1624 113.9851 62.0036 62.8056 177.0149 23 R 4.2516 7.9897 118.4551 59.0095 29.4138 178.6711 24 R 3.9256 8.9576 121.0036 59.5228 30.1283 178.6242 25 R 4.0687 8.3572 117.6226 58.5000 30.0171 179.2308 26 V 3.5561 7.5603 118.5708 65.7263 31.5242 177.6855 27 A 3.9318 8.0664 120.4533 55.2761 18.2725 179.0320 28 E 3.9263 8.0682 116.6623 59.9117 29.6418 179.7197 29 I 3.6350 7.7252 119.1185 64.7526 37.2713 178.5058 30 E 4.0395 8.6127 119.4958 59.1849 28.9705 179.5674 31 S 4.0335 8.5219 113.1385 61.5264 62.7574 175.6042 32 E 4.1069 8.2582 121.9558 59.4152 29.1047 178.4219 33 M 4.6821 8.0879 119.0964 57.5291 32.3613 176.8993 34 N 4.9463 7.7287 114.0557 52.1684 39.1923 174.8905 35 E 4.2627 7.3188 121.0447 55.6978 30.3538 176.0887 36 D 4.5902 8.3226 120.4162 54.7769 41.7866 175.8342 37 H 5.0039 8.7302 119.2517 53.6695 32.5011 172.8715 38 A 4.4068 8.6727 124.6881 51.4393 18.3679 176.7469 39 C 3.9151 8.8531 123.0964 60.3437 31.9812 173.3474 40 P 4.0759 0.0000 0.0000 65.5714 30.6506 176.9124 41 N 4.0818 7.2570 116.0248 55.7908 40.9024 175.9760 42 C 4.4170 7.8485 115.6928 58.1770 28.2040 174.0820 43 G 4.1529 8.6836 104.2019 44.2022 0.0000 172.5399 44 E 4.0028 7.5891 122.3615 55.0789 30.6817 176.9254 45 D 5.6710 8.2020 127.5312 53.6871 38.0226 176.1613 46 R 4.7614 7.6312 114.3955 55.7861 33.2844 175.8801 47 V 4.8164 8.1681 119.4109 62.1549 32.5879 174.7342 48 D 5.3712 9.3679 127.2149 52.3297 45.0284 175.1120 49 R 3.7128 8.5005 120.1905 55.7925 30.6787 176.1695 50 Q 4.2184 9.5153 124.0409 54.8560 30.1276 175.8204 51 G 3.7441 7.3270 105.7256 44.4205 0.0000 170.3591 52 T 3.6867 7.8060 116.4835 64.4658 67.9675 174.3784 53 G 4.3526 8.5509 114.0178 46.4286 0.0000 171.2821 54 I 4.6653 7.5308 121.4066 58.9453 39.8080 174.8175 55 W 5.0093 8.5604 126.3323 54.9730 33.1179 174.2602 56 Q 5.1723 9.1982 122.6070 55.0375 32.7844 172.7977 57 C 5.2224 9.3923 127.1067 58.5922 32.3415 174.5298 58 S 4.3105 9.1617 121.5761 60.4800 63.0992 174.9789 59 Y 4.3360 8.0912 122.4685 60.0044 38.6965 175.4351 60 C 4.3200 8.0963 111.6717 57.3421 30.2785 174.6069 61 D 4.6689 8.4684 118.7847 54.6279 39.1826 173.2137 62 Y 4.3928 7.6250 120.6529 58.3938 39.7275 174.8050 63 K 5.0418 8.4841 128.0217 54.6060 34.3298 174.7343 64 F 5.0043 8.9534 121.9769 55.7485 42.1390 172.9105 65 T 4.9133 8.6479 109.0248 60.9623 70.2145 174.8859 66 G 4.3997 7.9654 110.0377 46.3762 0.0000 172.2411 67 G 4.0855 8.5502 110.4503 45.2890 0.0000 174.8675 68 S 4.0340 8.4449 114.8361 60.7424 62.8335 175.1069 69 Y 5.0536 7.8648 114.2135 57.1652 39.9677 174.9146 70 K 4.5981 8.0179 119.2176 53.6882 35.9593 175.2391 71 P 2.9700 0.0000 0.0000 63.6712 31.7684 175.7988 72 E 4.8537 7.5669 117.9315 54.0026 33.0537 175.3266 73 T 4.7246 8.0761 112.3614 59.0046 72.8310 173.2586 74 P 4.3074 0.0000 0.0000 65.9284 31.5483 178.9837 75 G 3.8257 8.0926 104.0396 47.8288 0.0000 175.9331 76 G 3.6857 8.2392 108.7424 47.3935 0.0000 175.9538 77 K 4.0434 8.3731 120.7768 59.3911 31.7872 179.5466 78 T 4.1473 7.4970 115.1749 65.9737 68.3811 176.8096 79 V 3.7155 7.2045 119.8751 66.0919 31.6626 177.6134 80 R 4.0804 8.0035 115.8220 58.5058 30.1428 177.7812 81 R 3.6390 7.8301 111.8908 59.3307 29.5322 176.9405 82 S 4.2825 8.8388 119.6263 58.9151 62.7866 175.2233 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 10 R 8.11 4.24 0.00 1.98 1.89 0.00 2.93 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 11 S 8.54 3.97 0.00 4.03 4.16 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 12 G 7.74 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 13 R 7.64 4.02 0.00 1.90 1.95 0.00 2.84 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.07 0.00 14 F 8.28 4.99 0.00 3.43 3.20 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 15 G 8.07 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 4.51 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 17 R 7.45 4.11 0.00 0.78 0.66 0.00 2.86 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 18 Y 8.03 3.92 0.00 3.01 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 19 G 7.91 4.06 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 0.00 0.00 0.00 20 R 8.13 3.96 0.00 1.88 1.96 0.00 3.18 0.00 0.00 3.28 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 21 V 7.75 3.83 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 1.15 0.00 0.00 0.94 0.00 0.00 22 S 8.16 4.11 0.00 4.05 3.82 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 23 R 7.99 4.25 0.00 2.31 2.64 0.00 3.05 0.00 0.00 3.50 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.75 0.00 24 R 8.96 3.93 0.00 1.86 2.25 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 25 R 8.36 4.07 0.00 1.94 1.93 0.00 3.17 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 26 V 7.56 3.56 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 1.14 0.00 0.00 1.19 0.00 0.00 27 A 8.07 3.93 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 28 E 8.07 3.93 0.00 2.04 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 2.35 2.48 0.00 29 I 7.73 3.63 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.50 0.00 0.00 30 E 8.61 4.04 0.00 2.00 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 2.31 2.51 0.00 31 S 8.52 4.03 0.00 3.93 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 32 E 8.26 4.11 0.00 2.14 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 2.39 2.52 0.00 33 M 8.09 4.68 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.62 0.00 34 N 7.73 4.95 0.00 2.80 2.87 0.00 0.00 7.06 7.68 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 35 E 7.32 4.26 0.00 1.74 1.81 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 2.35 2.51 0.00 36 D 8.32 4.59 0.00 2.53 2.59 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 37 H 8.73 5.00 0.00 3.22 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.67 4.41 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 39 C 8.85 3.92 0.00 3.18 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 40 P 0.00 4.08 0.00 1.77 1.84 0.00 3.50 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.73 0.00 41 N 7.26 4.08 0.00 2.06 2.55 0.00 0.00 6.96 7.65 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 42 C 7.85 4.42 0.00 3.18 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.15 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 0.00 0.00 0.00 44 E 7.59 4.00 0.00 1.94 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 1.69 2.16 0.00 45 D 8.20 5.67 0.00 2.59 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 46 R 7.63 4.76 0.00 1.82 1.97 0.00 3.28 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 47 V 8.17 4.82 2.41 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 1.14 0.00 0.00 1.26 0.00 0.00 48 D 9.37 5.37 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.50 3.71 0.00 1.15 1.48 0.00 2.95 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 50 Q 9.52 4.22 0.00 1.76 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 51 G 7.33 3.74 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 0.00 0.00 0.00 52 T 7.81 3.69 4.11 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 0.00 0.00 0.00 1.05 0.00 0.00 53 G 8.55 4.35 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 0.00 54 I 7.53 4.67 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.04 0.72 0.00 0.00 55 W 8.56 5.01 0.00 1.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.20 5.17 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.70 0.00 57 C 9.39 5.22 0.00 3.33 3.11 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 0.00 0.00 0.00 0.00 58 S 9.16 4.31 0.00 4.09 4.06 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 59 Y 8.09 4.34 0.00 2.92 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 60 C 8.10 4.32 0.00 3.10 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 61 D 8.47 4.67 0.00 2.91 2.91 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 62 Y 7.63 4.39 0.00 3.13 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 63 K 8.48 5.04 0.00 1.74 1.58 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.31 7.81 64 F 8.95 5.00 0.00 3.02 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 65 T 8.65 4.91 4.29 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 1.22 0.00 0.00 66 G 7.97 4.40 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 0.00 67 G 8.55 4.09 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 0.00 68 S 8.44 4.03 0.00 3.09 2.85 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 69 Y 7.86 5.05 0.00 3.17 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 70 K 8.02 4.60 0.00 1.81 1.55 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.51 7.81 71 P 0.00 2.97 0.00 1.84 0.57 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.20 0.00 72 E 7.57 4.85 0.00 1.83 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 2.16 2.18 0.00 73 T 8.08 4.72 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 1.24 0.00 0.00 74 P 0.00 4.31 0.00 2.05 2.19 0.00 3.70 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 2.05 2.18 0.00 75 G 8.09 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 76 G 8.24 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 4.04 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.63 7.81 78 T 7.50 4.15 4.44 0.00 0.00 0.00 0.00 0.00 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 79 V 7.20 3.72 2.22 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 0.84 0.00 0.00 1.01 0.00 0.00 80 R 8.00 4.08 0.00 1.93 2.01 0.00 3.28 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 81 R 7.83 3.64 0.00 2.07 1.77 0.00 3.20 0.00 0.00 3.27 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 82 S 8.84 4.28 0.00 3.98 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