NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9302 8.3549 109.7371 45.1867 0.0000 177.1037 3 K 3.9862 8.6978 123.1466 54.9747 32.6572 170.5371 4 V 4.5018 8.5084 121.0308 61.5963 35.8281 173.7191 5 Y 5.0074 8.8535 124.1383 56.1945 41.2497 174.4010 6 K 4.5742 8.3334 120.2642 54.7222 36.1903 174.8842 7 K 5.0025 8.4084 123.1083 54.5961 35.5423 175.9465 8 V 4.5465 8.7632 117.1289 59.4970 35.3691 174.0625 9 E 5.0118 8.7678 124.9779 54.8932 30.8707 174.8379 10 L 4.8994 9.2403 126.1176 52.9147 46.4969 175.9244 11 V 4.7118 8.2441 119.2906 61.1250 33.3394 174.8670 12 G 4.0377 8.7141 115.9212 45.9374 0.0000 171.0400 13 T 5.8115 7.9137 112.1436 58.7780 72.3659 172.9835 14 S 4.7149 8.0768 113.7916 58.4673 65.1227 176.9926 15 E 4.6633 9.1676 124.1632 57.1549 30.0941 177.5793 16 E 4.0961 8.3154 119.2897 57.1321 30.1257 176.9677 17 G 3.2167 6.9732 103.8450 44.1875 0.0000 173.3692 18 L 3.8335 7.5619 118.1526 57.9660 41.4844 179.4040 19 E 3.8961 8.0414 117.7479 59.1574 29.3539 179.1317 20 A 3.8833 7.8238 120.0253 55.1756 18.6206 179.2031 21 A 4.0975 7.9278 119.1741 55.4121 18.4046 179.8965 22 I 3.4265 7.6106 118.0360 64.5783 37.1157 178.4142 23 Q 3.8789 8.1014 118.7078 59.0115 28.5710 178.8767 24 A 4.0024 8.2889 121.6877 55.4314 18.3620 179.5635 25 A 3.9056 7.8210 118.7726 55.2483 18.3303 179.8891 26 L 3.8478 7.9166 117.2550 57.7266 41.4535 179.1946 27 A 3.9439 8.4634 120.4131 55.6033 18.3760 179.5589 28 R 3.9061 8.0503 116.2888 59.2470 30.0971 178.6416 29 A 4.0193 7.8825 120.9995 54.8891 18.1581 179.4964 30 R 3.8454 8.0644 116.6531 59.3446 30.1093 178.6249 31 K 4.1594 7.5847 116.7659 58.4152 32.1276 177.6073 32 T 4.5026 7.6810 105.1241 60.7281 70.0460 173.4276 33 L 4.4736 7.7397 122.0856 52.8801 44.4071 175.8905 34 R 4.4562 7.9279 120.6202 55.8161 32.9815 175.2023 35 H 4.1627 8.5803 115.3743 56.8982 25.3570 175.3408 36 L 4.5585 8.0871 118.8889 55.4428 42.2212 175.9109 37 D 5.1772 9.2987 123.2090 55.2090 42.6394 176.4296 38 W 5.4761 7.9457 113.2865 54.9014 32.2259 172.8435 39 F 5.3219 8.1242 113.7966 55.2996 40.9589 173.7373 40 E 4.8156 9.2606 118.8843 54.6808 33.3208 175.0135 41 V 4.1552 8.7748 124.8992 62.8768 31.7977 175.3407 42 K 4.5069 9.5207 128.0668 57.8831 33.6608 176.5163 43 E 4.8721 7.9112 116.7351 54.8984 34.6220 174.7264 44 I 5.0622 8.2424 121.3323 60.1639 40.7212 174.6097 45 R 4.4539 9.4304 125.7447 57.3183 32.7489 174.1007 46 G 4.3312 8.1200 107.1108 47.1818 0.0000 171.7215 47 T 4.7175 7.8851 110.4399 60.0924 71.7350 173.5900 48 I 4.8493 8.2129 122.3619 59.7437 40.2628 175.3944 49 G 4.3734 9.1277 116.7334 43.7649 0.0000 172.9662 50 E 3.9125 8.8557 117.1920 58.8055 29.5339 177.7064 51 A 4.5495 7.8000 119.1858 51.7528 20.4463 176.3627 52 G 3.9616 7.4763 103.6253 43.8605 0.0000 176.8136 53 V 3.5771 8.3324 127.9921 63.0055 30.7655 175.0829 54 K 4.2680 8.2089 130.5356 58.2390 31.9804 176.2511 55 E 4.9033 8.3671 116.8333 54.7026 33.6068 173.2050 56 Y 4.7373 9.4166 120.4605 57.2048 39.9438 174.4373 57 Q 5.0451 9.0527 122.6628 54.0511 32.5459 174.5213 58 V 4.6601 8.7560 124.4478 61.0143 34.1604 174.4207 59 V 4.6011 8.6550 129.5809 62.2275 32.7176 174.8348 60 L 5.2312 9.3089 127.3738 54.5290 44.6152 174.4094 61 E 5.1097 9.2731 119.5170 54.6277 32.4663 175.1759 62 V 4.5384 8.9800 124.1861 61.0049 34.1370 174.3187 63 G 3.3223 8.4388 115.5452 43.9334 0.0000 172.1793 64 F 5.6499 7.9260 117.9867 54.8728 41.9895 173.6453 65 R 4.1303 8.7518 120.6758 56.1759 30.5530 175.7578 66 L 4.7312 8.2293 125.9391 53.7514 43.1916 176.4445 67 E 4.4899 8.6232 121.7687 55.6903 31.2082 176.3369 68 E 4.3216 8.2948 117.0437 57.1555 29.0422 175.2237 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 2 G 8.35 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 3.99 0.00 1.85 1.41 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.47 7.81 4 V 8.51 4.50 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 1.01 0.00 0.00 0.92 0.00 0.00 5 Y 8.85 5.01 0.00 3.04 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 6 K 8.33 4.57 0.00 1.54 0.74 0.00 1.62 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.15 1.31 7.81 7 K 8.41 5.00 0.00 1.56 1.54 0.00 1.98 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.95 1.31 7.81 8 V 8.76 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 0.85 0.00 0.00 1.11 0.00 0.00 9 E 8.77 5.01 0.00 1.98 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 2.22 2.46 0.00 10 L 9.24 4.90 0.00 1.51 1.48 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.24 4.71 2.08 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 0.80 0.00 0.00 0.93 0.00 0.00 12 G 8.71 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 13 T 7.91 5.81 4.37 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 1.26 0.00 0.00 14 S 8.08 4.71 0.00 3.88 3.76 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 15 E 9.17 4.66 0.00 2.04 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 0.00 2.29 2.35 0.00 16 E 8.32 4.10 0.00 1.94 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 2.35 2.26 0.00 17 G 6.97 3.22 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 0.00 18 L 7.56 3.83 0.00 1.59 1.66 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.90 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 20 A 7.82 3.88 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 21 A 7.93 4.10 1.48 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 0.00 0.00 22 I 7.61 3.43 1.84 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 1.32 0.83 0.30 0.00 0.00 23 Q 8.10 3.88 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 24 A 8.29 4.00 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 25 A 7.82 3.91 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 26 L 7.92 3.85 0.00 1.79 1.69 0.76 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.46 3.94 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.05 3.91 0.00 1.92 1.91 0.00 3.11 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 29 A 7.88 4.02 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 30 R 8.06 3.85 0.00 1.89 2.07 0.00 3.26 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 31 K 7.58 4.16 0.00 1.92 1.82 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 32 T 7.68 4.50 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 1.16 0.00 0.00 33 L 7.74 4.47 0.00 1.39 0.71 0.64 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.93 4.46 0.00 1.61 1.43 0.00 3.19 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 35 H 8.58 4.16 0.00 3.65 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 4.56 0.00 1.70 1.70 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.30 5.18 0.00 3.16 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 38 W 7.95 5.48 0.00 3.18 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 39 F 8.12 5.32 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.26 4.82 0.00 1.98 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 2.40 2.51 0.00 41 V 8.77 4.16 2.18 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 0.83 0.00 0.00 1.09 0.00 0.00 42 K 9.52 4.51 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.57 7.81 43 E 7.91 4.87 0.00 1.88 1.79 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 2.31 2.35 0.00 44 I 8.24 5.06 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.99 0.00 0.00 45 R 9.43 4.45 0.00 1.80 2.00 0.00 2.93 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 46 G 8.12 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.89 4.72 4.19 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 1.18 0.00 0.00 48 I 8.21 4.85 1.83 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 1.21 0.63 0.92 0.00 0.00 49 G 9.13 4.37 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 0.00 0.00 0.00 50 E 8.86 3.91 0.00 1.96 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 2.30 2.30 0.00 51 A 7.80 4.55 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 52 G 7.48 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 53 V 8.33 3.58 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 -0.37 0.00 0.00 0.71 0.00 0.00 54 K 8.21 4.27 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.36 7.81 55 E 8.37 4.90 0.00 2.08 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 2.14 2.24 0.00 56 Y 9.42 4.74 0.00 2.98 2.90 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 57 Q 9.05 5.05 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 58 V 8.76 4.66 2.06 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 0.94 0.00 0.00 0.94 0.00 0.00 59 V 8.65 4.60 2.18 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 1.00 0.00 0.00 0.94 0.00 0.00 60 L 9.31 5.23 0.00 1.94 1.72 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.27 5.11 0.00 1.90 1.82 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 2.23 2.24 0.00 62 V 8.98 4.54 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 1.00 0.00 0.00 0.93 0.00 0.00 63 G 8.44 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 0.00 0.00 0.00 64 F 7.93 5.65 0.00 3.39 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 65 R 8.75 4.13 0.00 1.85 1.90 0.00 3.09 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 66 L 8.23 4.73 0.00 1.64 1.58 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.62 4.49 0.00 1.99 1.90 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 2.30 2.39 0.00 68 E 8.29 4.32 0.00 2.01 1.84 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 2.13 2.25 0.00