NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4211 8.2893 120.3485 55.0152 34.0627 175.1408 4 S 4.5246 7.6894 111.5102 55.4104 64.6822 171.1009 5 A 3.9332 8.3967 129.2597 52.1300 19.3286 178.2104 6 K 3.9457 8.2911 112.1314 55.6612 35.3600 173.9174 7 E 3.6660 8.9846 126.6297 56.8158 26.2260 173.6385 8 L 4.9315 7.8255 123.1071 52.8135 44.6103 176.5429 9 R 4.4378 7.9776 117.7712 55.3038 30.3453 174.7275 10 C 4.4526 8.2375 120.3280 55.9689 41.4651 174.1752 11 Q 3.9186 8.6476 124.2189 58.7631 28.9108 176.6833 12 C 4.8069 7.8533 117.5200 54.3862 45.0441 173.0561 13 V 3.8290 8.3088 127.2703 63.2367 31.9064 175.5869 14 K 3.7768 8.4124 128.5858 55.9185 31.4166 174.6700 15 T 4.2490 8.1429 115.9217 63.5727 70.0325 176.4084 16 T 4.3458 8.1597 125.5459 62.9655 67.2596 175.9532 17 S 4.3788 7.6606 115.0836 59.1920 63.2701 174.8847 18 Q 4.0208 7.4584 119.6715 59.3184 28.9128 176.8351 19 V 4.1278 7.1785 115.9216 61.5914 32.5854 175.0667 20 R 4.5845 8.1964 122.1467 53.7263 31.2491 174.0069 21 P 4.4160 0.0000 0.0000 62.5295 31.9106 174.3186 22 R 4.1519 7.5373 132.1945 57.0614 33.6148 174.1138 23 H 4.5688 7.0962 110.6551 55.4551 29.1420 174.7105 24 I 3.9912 6.9708 120.3508 62.6335 38.0021 174.8542 25 T 4.6018 8.3626 116.0716 63.1769 69.4940 173.7552 26 S 4.8361 7.7385 112.6354 57.6714 65.8376 174.0637 27 L 5.0555 8.3189 120.1007 54.4984 43.3620 175.2333 28 E 4.4555 8.8679 120.4729 55.7612 31.7360 175.8539 29 V 4.3794 8.2583 121.1932 61.3000 33.3609 173.9111 30 I 4.4901 8.2897 128.1713 59.1739 39.8375 176.1314 31 K 4.5972 8.4281 127.1346 55.4693 34.2767 175.6692 32 A 4.9051 7.9342 123.0467 51.2018 17.9951 178.4037 33 G 3.9484 8.3340 116.1917 45.7682 0.0000 170.2728 34 P 4.3921 0.0000 0.0000 66.0746 32.0839 178.0124 35 H 4.5030 8.1643 113.8701 56.5435 28.9124 175.2308 36 C 5.2695 7.8739 119.7653 54.4791 43.8898 172.0203 37 P 4.2069 0.0000 0.0000 64.2906 31.6519 177.1987 38 T 4.4636 7.5001 113.2353 60.5203 68.8068 174.0466 39 A 3.9937 8.5112 128.1679 52.4033 19.3364 177.0177 40 Q 4.3646 8.8539 124.2636 54.2375 30.7456 173.1951 41 L 4.9358 8.2317 128.1635 53.1508 44.7415 175.1319 42 I 4.7370 8.2525 125.4552 59.7326 41.4445 173.7725 43 A 5.0050 8.4207 123.3894 51.4130 23.3723 174.8874 44 T 5.4685 8.7056 112.9864 62.0126 73.2399 174.3928 45 L 4.7783 8.2376 127.3438 53.5266 44.1898 175.8978 46 K 4.0332 7.9242 118.2104 59.1808 32.1889 177.3927 47 N 4.5971 8.1310 117.3964 51.9202 37.3560 171.7913 48 G 4.5349 7.8413 114.9640 45.0061 0.0000 170.4069 49 R 4.7406 8.8751 121.8902 54.9462 33.1451 175.1584 50 K 5.3992 8.5668 115.4130 55.5086 37.0826 175.4324 51 I 4.7451 7.6439 117.9573 60.3901 41.3234 173.8203 52 C 5.1969 8.0556 109.3356 55.0096 45.1048 173.3649 53 L 5.2134 8.3341 120.3050 53.5859 45.5925 174.9278 54 D 4.7406 8.5620 119.3796 52.5529 41.3960 175.7926 55 L 3.2281 7.9398 116.5157 54.4350 42.9560 175.5688 56 Q 4.5840 8.1473 114.9597 54.9989 29.8323 174.0060 57 A 4.8076 7.8211 118.5307 48.7403 22.1186 175.3967 58 P 4.4414 0.0000 0.0000 63.6919 31.4239 178.0356 59 L 3.8339 7.5908 121.1584 58.7523 42.2550 178.3071 60 Y 4.2730 7.7600 114.7277 59.3292 38.0339 177.6245 61 K 3.3412 6.8987 121.4084 58.7525 32.1664 178.6387 62 K 4.0510 7.7890 118.7979 58.9355 31.9279 179.1181 63 I 3.7430 7.4278 120.2065 64.3033 37.2609 177.9937 64 I 3.7165 7.8749 120.3677 64.6204 37.0104 178.8022 65 K 3.9879 8.0463 119.1687 59.1698 31.6227 179.2121 66 K 4.8632 7.7269 120.1756 58.3219 32.1609 178.2888 67 L 4.2651 7.5800 118.3497 56.8962 41.6161 178.6606 68 L 4.1715 7.8641 119.6380 57.4504 41.6709 178.7671 69 E 3.9667 8.0701 117.6619 58.8267 28.8624 177.5037 70 S 4.3279 7.6079 118.9637 58.4932 63.4229 173.5921 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 3 M 8.29 4.42 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 4 S 7.69 4.52 0.00 4.06 3.81 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 5 A 8.40 3.93 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.29 3.95 0.00 1.64 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.40 7.81 7 E 8.98 3.67 0.00 2.13 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 2.22 2.31 0.00 8 L 7.83 4.93 0.00 1.60 1.74 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.98 4.44 0.00 1.74 1.81 0.00 3.42 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 10 C 8.24 4.45 0.00 2.97 2.94 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 0.00 0.00 0.00 11 Q 8.65 3.92 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 12 C 7.85 4.81 0.00 2.92 2.92 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 0.00 0.00 0.00 0.00 13 V 8.31 3.83 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 0.93 0.00 0.00 0.92 0.00 0.00 14 K 8.41 3.78 0.00 1.93 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.43 7.81 15 T 8.14 4.25 4.24 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 0.00 0.00 0.00 1.27 0.00 0.00 16 T 8.16 4.35 4.46 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 0.00 0.00 0.00 1.21 0.00 0.00 17 S 7.66 4.38 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 18 Q 7.46 4.02 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 19 V 7.18 4.13 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 0.98 0.00 0.00 0.95 0.00 0.00 20 R 8.20 4.58 0.00 1.93 1.89 0.00 2.99 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 21 P 0.00 4.42 0.00 2.20 2.11 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 22 R 7.54 4.15 0.00 1.74 1.59 0.00 3.11 0.00 0.00 3.28 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 23 H 7.10 4.57 0.00 3.34 3.51 0.00 5.55 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 6.97 3.99 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 1.14 0.91 0.93 0.00 0.00 25 T 8.36 4.60 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 1.30 0.00 0.00 26 S 7.74 4.84 0.00 3.89 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 0.00 27 L 8.32 5.06 0.00 1.76 1.64 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.87 4.46 0.00 1.96 1.89 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 2.29 2.25 0.00 29 V 8.26 4.38 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 0.86 0.00 0.00 0.95 0.00 0.00 30 I 8.29 4.49 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.92 0.00 0.00 31 K 8.43 4.60 0.00 1.76 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 32 A 7.93 4.91 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 33 G 8.33 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.39 0.00 2.23 2.30 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 35 H 8.16 4.50 0.00 3.54 3.57 0.00 5.44 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.87 5.27 0.00 2.70 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 37 P 0.00 4.21 0.00 2.21 2.30 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 38 T 7.50 4.46 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 1.18 0.00 0.00 39 A 8.51 3.99 1.16 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 0.00 0.00 40 Q 8.85 4.36 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 41 L 8.23 4.94 0.00 1.68 1.63 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.25 4.74 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.02 1.01 0.00 0.00 43 A 8.42 5.00 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 44 T 8.71 5.47 4.24 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 0.00 0.00 0.00 1.26 0.00 0.00 45 L 8.24 4.78 0.00 1.63 1.55 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.92 4.03 0.00 1.73 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.57 7.81 47 N 8.13 4.60 0.00 2.75 2.76 0.00 0.00 6.99 7.54 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 48 G 7.84 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.88 4.74 0.00 1.94 2.05 0.00 2.76 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 50 K 8.57 5.40 0.00 1.69 1.70 0.00 1.62 0.00 0.00 2.41 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.54 7.81 51 I 7.64 4.75 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.92 0.00 0.00 52 C 8.06 5.20 0.00 3.23 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 53 L 8.33 5.21 0.00 1.47 1.65 0.97 1.07 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 54 D 8.56 4.74 0.00 2.72 2.68 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 55 L 7.94 3.23 0.00 1.12 1.26 0.33 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.15 4.58 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 57 A 7.82 4.81 1.29 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 0.00 0.00 58 P 0.00 4.44 0.00 2.25 2.27 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 59 L 7.59 3.83 0.00 1.96 1.96 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.76 4.27 0.00 3.35 3.36 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 61 K 6.90 3.34 0.00 1.20 1.69 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.25 7.81 62 K 7.79 4.05 0.00 2.03 1.81 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 63 I 7.43 3.74 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.59 0.96 0.00 0.00 64 I 7.87 3.72 1.75 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.90 0.00 0.00 65 K 8.05 3.99 0.00 1.90 1.81 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 66 K 7.73 4.86 0.00 1.85 2.00 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.33 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 67 L 7.58 4.27 0.00 1.85 1.71 0.93 1.07 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 68 L 7.86 4.17 0.00 1.84 1.69 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.07 3.97 0.00 2.20 2.23 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 2.41 2.38 0.00 70 S 7.61 4.33 0.00 3.85 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