NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6080 8.2233 120.1923 53.8202 43.0232 176.8687 4 D 4.2689 8.2576 120.5925 57.1053 40.5061 177.0834 5 M 4.0525 8.1854 118.9849 58.5082 32.4842 177.9823 6 E 3.9742 8.1498 118.8535 59.3336 29.6276 178.9085 7 R 4.0237 7.9357 117.4463 59.1927 30.4575 178.7869 8 I 3.9906 8.2308 120.0758 64.2965 37.1110 178.0353 9 F 4.0424 8.5202 121.7487 61.5154 38.9615 177.3309 10 K 4.0570 8.2053 116.5900 59.5909 31.8603 179.2524 11 R 4.0933 7.7905 117.6320 59.0480 30.0177 178.7650 12 F 4.1699 8.0864 116.5653 59.5885 40.6708 176.6239 13 D 4.4707 8.0158 119.9943 52.4194 37.8877 176.0923 14 T 3.8170 7.8554 120.4742 66.3387 68.9067 174.9866 15 N 4.5967 8.2713 114.4399 51.9964 37.6512 174.9147 16 G 4.0282 7.8689 106.8583 46.9534 0.0000 173.8683 17 D 4.6059 8.3078 116.5434 52.8006 39.6094 177.2954 18 G 4.2109 9.6321 108.7323 45.4225 0.0000 173.7880 19 K 4.7888 8.0134 117.1832 55.0521 35.6430 175.7934 20 I 4.3640 8.3871 122.3323 60.2263 37.9662 176.6751 21 S 4.5991 9.0149 122.0515 56.9149 65.8208 174.9394 22 L 3.9546 8.2607 122.3356 58.3638 41.7656 178.7951 23 S 4.1098 8.0043 113.7779 61.4989 63.0047 176.1827 24 E 3.9102 8.1349 121.9087 58.9032 29.1571 179.0643 25 L 4.0705 8.3044 120.7720 58.4664 42.2405 179.0583 26 T 3.8541 8.1179 115.8754 66.9287 67.9019 176.3624 27 D 4.3297 8.2920 120.5093 57.2025 40.7727 178.7756 28 A 3.7234 7.8393 121.4015 54.9245 18.3319 179.6969 29 L 3.9699 8.0594 117.6396 57.9239 41.4222 179.8075 30 R 3.9583 7.7908 117.3062 59.6160 30.2256 178.9503 31 T 4.0123 7.4452 114.4442 66.5691 68.2582 176.9064 32 L 4.1451 7.5834 119.4537 57.1537 41.6787 178.8075 33 G 4.0262 7.7189 102.7325 44.8018 0.0000 174.0651 34 S 4.8132 7.7046 116.9218 58.0972 63.6286 174.6666 35 T 4.2511 7.7886 110.0153 61.3880 69.4629 174.6674 36 S 4.4286 8.8730 118.4773 57.6887 65.4187 175.1719 37 A 3.9629 8.4827 124.2350 55.7780 18.0952 179.8817 38 D 4.3375 8.0277 116.6280 57.4236 40.9388 178.7032 39 E 4.0212 7.9764 119.2124 59.2195 29.3235 179.5020 40 V 3.6071 7.8109 118.5006 66.0003 31.5238 178.1237 41 Q 3.9499 8.1297 117.8853 59.0214 28.2879 179.0296 42 R 3.9264 7.8641 118.2639 59.4574 30.2362 178.7293 43 M 4.2011 7.9722 118.5991 58.3869 31.8815 178.3781 44 M 3.9351 8.2706 118.5067 58.6890 32.2001 178.0874 45 A 4.0238 7.9465 119.7105 55.2073 18.5269 178.9320 46 E 4.0368 7.7640 117.3594 58.8068 29.7916 177.9685 47 I 4.2672 7.4721 116.4655 61.4305 40.0695 176.1293 48 D 4.6982 8.2140 121.1181 53.5879 38.1966 176.2970 49 T 3.9415 8.0161 113.6818 63.6789 69.5290 175.9206 50 D 4.5662 8.7982 119.8415 52.5009 39.7696 176.5261 51 G 3.9813 7.8349 107.6605 46.9250 0.0000 174.2079 52 D 4.5983 8.4837 116.7958 53.0347 39.7678 177.3465 53 G 3.7890 9.1387 108.7977 45.4587 0.0000 173.0277 54 F 4.7822 8.3717 116.6152 55.5916 42.8801 174.3443 55 I 4.5041 8.3851 122.9672 60.0301 37.7283 176.3172 56 D 4.8462 9.0764 127.0428 52.0159 42.3103 176.9670 57 F 4.5936 8.7334 120.2585 61.5323 39.2103 176.4670 58 N 4.2590 8.3679 115.7277 56.5118 38.4560 177.0618 59 E 4.0285 9.0253 120.3085 59.2258 29.4353 179.2544 60 F 4.3441 8.4499 120.8447 61.3568 39.4606 177.2589 61 I 3.3604 7.8704 119.7371 64.3809 36.8860 178.5089 62 S 4.0627 8.1237 115.9980 61.6190 62.6739 176.6289 63 F 4.0117 8.3150 123.1877 61.4507 38.9078 176.9671 64 C 3.9433 7.8432 115.4511 62.8603 27.9420 175.5682 65 N 4.3462 8.2157 117.2229 55.9748 38.1690 176.7883 66 A 4.2542 7.5942 120.4913 52.7939 20.2571 177.4062 67 N 4.7551 7.4392 114.8952 49.3933 39.2141 173.0872 68 P 4.2778 0.0000 0.0000 65.5462 31.4668 178.5667 69 G 3.6681 7.9519 104.6218 46.6772 0.0000 175.3753 70 L 3.9800 8.0046 123.2396 58.6194 41.9729 178.7227 71 M 4.2911 7.8421 116.3129 57.4583 32.5786 177.5367 72 K 4.1196 7.9994 119.2048 58.3231 32.4948 176.6119 73 D 4.7827 7.9520 116.1351 55.7317 42.7277 178.5062 74 V 3.4913 7.5766 117.4034 66.1609 31.8459 178.0730 75 A 3.8709 8.4630 120.6383 54.8166 17.9676 179.3672 76 K 4.0252 7.4940 116.0466 58.6800 32.0643 179.2764 77 V 3.6453 7.1732 118.5919 65.8726 31.6306 175.5723 78 F 4.6744 7.0975 119.8307 57.9135 38.7272 175.0534 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 D 8.22 4.61 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.26 4.27 0.00 2.82 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 5 M 8.19 4.05 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 6 E 8.15 3.97 0.00 1.99 2.21 0.00 0.00 0.00 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 7 R 7.94 4.02 0.00 2.07 2.03 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 8 I 8.23 3.99 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.24 1.05 0.00 0.00 9 F 8.52 4.04 0.00 3.15 3.29 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 10 K 8.21 4.06 0.00 2.05 1.91 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.82 1.71 7.81 11 R 7.79 4.09 0.00 2.17 1.99 0.00 3.33 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 12 F 8.09 4.17 0.00 2.84 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 13 D 8.02 4.47 0.00 1.93 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 0.00 0.00 0.00 0.00 14 T 7.86 3.82 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 1.18 0.00 0.00 15 N 8.27 4.60 0.00 2.86 2.91 0.00 0.00 7.13 6.37 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 16 G 7.87 4.03 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 0.00 0.00 0.00 17 D 8.31 4.61 0.00 2.77 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 18 G 9.63 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.79 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 20 I 8.39 4.36 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.43 1.01 0.00 0.00 21 S 9.01 4.60 0.00 4.03 4.02 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 22 L 8.26 3.95 0.00 1.79 1.71 0.93 0.80 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 23 S 8.00 4.11 0.00 4.08 4.10 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 0.00 0.00 0.00 0.00 24 E 8.13 3.91 0.00 2.30 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 0.00 2.30 2.30 0.00 25 L 8.30 4.07 0.00 1.88 1.84 1.11 0.88 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 26 T 8.12 3.85 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 1.21 0.00 0.00 27 D 8.29 4.33 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 28 A 7.84 3.72 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.97 0.00 1.87 1.74 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.79 3.96 0.00 1.97 1.98 0.00 3.32 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 31 T 7.45 4.01 4.30 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 1.16 0.00 0.00 32 L 7.58 4.15 0.00 1.82 1.77 1.01 1.21 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 33 G 7.72 4.03 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 0.00 0.00 0.00 34 S 7.70 4.81 0.00 3.92 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 35 T 7.79 4.25 4.30 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 1.29 0.00 0.00 36 S 8.87 4.43 0.00 4.07 4.02 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 37 A 8.48 3.96 1.32 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 38 D 8.03 4.34 0.00 2.69 2.72 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 0.00 0.00 0.00 39 E 7.98 4.02 0.00 2.12 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 0.00 2.33 2.31 0.00 40 V 7.81 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 41 Q 8.13 3.95 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 42 R 7.86 3.93 0.00 1.98 2.00 0.00 3.17 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 43 M 7.97 4.20 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 44 M 8.27 3.94 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 45 A 7.95 4.02 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 46 E 7.76 4.04 0.00 1.94 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 47 I 7.47 4.27 1.34 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.87 0.00 0.00 48 D 8.21 4.70 0.00 2.81 2.65 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 0.00 0.00 0.00 0.00 49 T 8.02 3.94 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 1.26 0.00 0.00 50 D 8.80 4.57 0.00 2.81 2.84 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 0.00 0.00 0.00 51 G 7.83 3.98 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 0.00 0.00 0.00 52 D 8.48 4.60 0.00 2.98 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 53 G 9.14 3.79 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 0.00 0.00 0.00 54 F 8.37 4.78 0.00 2.95 2.95 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 55 I 8.39 4.50 1.92 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 1.48 0.58 1.03 0.00 0.00 56 D 9.08 4.85 0.00 3.02 2.88 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 57 F 8.73 4.59 0.00 3.08 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 58 N 8.37 4.26 0.00 2.99 2.87 0.00 0.00 7.16 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 59 E 9.03 4.03 0.00 2.23 2.24 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 2.39 2.52 0.00 60 F 8.45 4.34 0.00 3.19 3.29 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 61 I 7.87 3.36 1.77 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.27 0.75 0.00 0.00 62 S 8.12 4.06 0.00 4.04 3.92 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 63 F 8.32 4.01 0.00 3.25 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 64 C 7.84 3.94 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.22 4.35 0.00 2.72 2.80 0.00 0.00 7.04 6.89 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 66 A 7.59 4.25 1.17 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 0.00 0.00 0.00 67 N 7.44 4.76 0.00 2.32 2.44 0.00 0.00 6.56 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 68 P 0.00 4.28 0.00 2.21 2.26 0.00 3.58 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 2.01 1.98 0.00 69 G 7.95 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.98 0.00 1.82 1.75 1.12 1.04 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 71 M 7.84 4.29 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 72 K 8.00 4.12 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.40 7.81 73 D 7.95 4.78 0.00 2.82 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 74 V 7.58 3.49 2.25 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 0.97 0.00 0.00 0.95 0.00 0.00 75 A 8.46 3.87 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.49 4.03 0.00 1.81 1.88 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.62 7.81 77 V 7.17 3.65 1.78 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 0.68 0.00 0.00 0.84 0.00 0.00 78 F 7.10 4.67 0.00 3.18 2.86 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