NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.5984 8.1449 121.6980 57.7474 39.9885 173.3869 12 Q 4.2019 7.8564 124.7304 55.8476 30.6241 173.9345 13 T 3.9161 7.1009 109.5621 60.3937 70.8655 172.0606 14 A 3.7641 8.6416 128.4264 52.2251 18.4688 176.2468 15 P 4.6546 0.0000 0.0000 61.4728 32.7094 175.7065 16 F 4.2009 8.6852 120.7031 58.3437 39.7686 173.9570 17 D 4.5861 7.3855 125.9685 51.8756 42.1897 175.6750 18 S 3.9266 8.6256 122.6173 61.4065 62.6869 175.9761 19 R 4.0068 7.7299 114.1046 56.9884 29.6233 177.2784 20 F 4.9737 8.3048 117.7032 56.3610 40.4134 172.3568 21 P 4.7832 0.0000 0.0000 63.0315 32.6807 176.2745 22 N 5.0805 7.7717 116.5934 51.0959 41.3994 174.9167 23 Q 3.9548 8.8315 120.3694 59.3200 28.9593 176.7715 24 N 4.6388 7.7588 115.4299 53.3232 38.9496 174.8186 25 Q 4.5932 8.5774 123.7138 55.7814 29.7679 177.1587 26 T 4.2537 8.1293 118.5929 67.3812 68.3561 176.0441 27 R 4.2155 8.1100 119.1249 59.1280 29.8661 178.1453 28 N 3.1400 7.7459 116.9090 56.6062 38.8319 175.7277 29 C 4.4379 8.2107 119.2325 59.2549 40.0096 174.7357 30 W 4.2921 8.6126 129.3470 60.7842 30.3506 177.7496 31 Q 3.8732 9.1970 120.1761 59.5621 28.6029 178.2833 32 N 4.6707 7.9549 116.7196 56.2639 38.3900 176.8927 33 Y 3.4716 7.9285 121.1068 60.2029 38.7319 177.7489 34 L 3.6409 7.5165 119.8885 57.7676 41.8034 178.7665 35 D 4.0773 8.1906 119.1051 57.7599 40.7060 178.9195 36 F 4.2742 8.0517 120.6209 61.7288 39.4502 176.7667 37 H 3.6581 7.9738 115.5325 58.6715 28.4669 178.1420 38 R 3.8253 7.9368 120.1809 58.9048 29.9095 178.1334 39 C 4.1605 7.9026 118.3082 59.5449 38.1799 174.8380 40 E 3.6462 7.9156 121.2707 59.3370 28.9811 178.5672 41 K 3.7465 7.9100 119.0429 59.9750 31.9303 177.8558 42 A 3.9383 7.8582 119.6687 55.2967 18.3425 178.9476 43 M 3.9803 8.1746 117.6452 58.5286 32.5663 179.3530 44 T 4.0580 7.6470 115.2531 66.0960 69.2040 176.5795 45 A 4.5528 7.9387 121.5149 51.4683 18.3818 176.7585 46 K 4.0704 8.1398 125.0394 56.1012 36.8337 173.5501 47 G 3.7701 7.5403 108.8196 41.9509 0.0000 173.4580 48 G 3.9437 8.6143 105.6671 46.5504 0.0000 173.0340 49 D 4.2160 8.4044 109.5156 54.7981 38.9761 174.6544 50 V 3.4539 7.8448 109.4263 61.9213 29.8676 174.2614 51 S 4.3745 7.7085 112.2230 58.4909 63.5841 173.8934 52 V 4.5165 7.8860 114.2014 59.8570 35.2589 175.7774 53 C 4.6969 8.5850 119.6138 54.5888 41.4273 173.3380 54 E 4.0617 8.2436 127.5799 59.6385 29.8458 177.0261 55 W 4.2995 8.2903 128.1025 61.1328 30.4484 177.3639 56 Y 4.3351 7.6838 115.7226 61.2217 37.3441 178.4074 57 R 3.1759 7.8790 119.0958 58.7464 30.0675 178.6787 58 R 3.3376 7.5726 118.2108 58.8966 29.9882 178.8914 59 V 3.3881 7.1079 117.9958 66.2512 31.4833 177.6763 60 Y 4.3471 8.2870 117.5412 60.1075 37.4136 178.5564 61 K 3.7170 6.9785 119.5084 59.0156 32.0703 179.3242 62 S 4.2091 7.5389 114.7559 61.6679 62.9555 176.3000 63 L 4.1397 7.6669 120.0148 56.4296 41.9243 177.2971 64 C 4.3248 7.9611 116.6364 55.4522 38.7864 171.9134 65 P 4.2287 0.0000 0.0000 62.2739 31.9441 176.9238 66 I 3.6153 8.5124 122.6321 65.0566 37.0201 178.6434 67 S 4.3295 8.0523 113.9464 61.1939 62.5034 176.4941 68 W 3.5454 7.9213 122.5369 59.4536 28.6792 178.3654 69 V 3.6352 7.5800 117.5443 66.3782 30.7764 177.9918 70 S 4.1819 8.6592 115.1487 61.9067 62.7771 176.6027 71 T 3.9365 8.0356 112.3743 64.7797 68.1190 176.3320 72 W 4.6218 8.4208 121.8935 59.9206 29.0892 177.9151 73 D 4.5109 8.6163 119.0140 57.7209 40.2602 178.6305 74 D 4.4548 8.5391 119.4430 57.7641 40.9387 179.2092 75 R 4.0459 8.3133 118.1684 59.6286 30.0002 179.3574 76 R 4.0642 8.5742 117.8227 59.0511 29.7516 178.9472 77 A 4.0321 7.9908 120.1551 55.1333 18.6573 179.0548 78 E 4.2391 8.3464 112.9893 56.4776 29.9129 176.8559 79 G 3.9495 7.8457 108.0059 47.5501 0.0000 174.2683 80 T 4.5567 8.4086 107.1101 60.6856 69.2946 173.3414 81 F 4.4582 8.3482 125.5323 57.6522 39.2756 174.1686 82 P 4.1427 0.0000 0.0000 64.2896 31.3799 176.7317 83 G 3.8125 5.9155 107.8638 44.5377 0.0000 173.2074 84 K 4.5017 8.4225 119.5626 54.7593 33.2252 177.0903 85 I 4.0619 8.3392 123.8626 61.3937 37.5527 175.4554 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 11 Y 8.14 4.60 0.00 3.07 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 12 Q 7.86 4.20 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 13 T 7.10 3.92 4.12 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 1.11 0.00 0.00 14 A 8.64 3.76 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 15 P 0.00 4.65 0.00 2.36 2.23 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 16 F 8.69 4.20 0.00 3.04 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 17 D 7.39 4.59 0.00 2.73 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 18 S 8.63 3.93 0.00 4.13 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 0.00 19 R 7.73 4.01 0.00 1.48 1.89 0.00 2.98 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.76 0.00 20 F 8.30 4.97 0.00 2.90 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 21 P 0.00 4.78 0.00 2.38 2.49 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 22 N 7.77 5.08 0.00 2.83 2.82 0.00 0.00 6.68 7.74 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 23 Q 8.83 3.95 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 24 N 7.76 4.64 0.00 2.85 2.81 0.00 0.00 7.11 6.96 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 25 Q 8.58 4.59 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.53 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 26 T 8.13 4.25 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 27 R 8.11 4.22 0.00 2.09 2.46 0.00 3.64 0.00 0.00 3.67 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 28 N 7.75 3.14 0.00 2.26 2.63 0.00 0.00 6.83 6.93 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 29 C 8.21 4.44 0.00 3.17 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.61 4.29 0.00 3.59 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 31 Q 9.20 3.87 0.00 2.50 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.73 2.75 0.00 32 N 7.95 4.67 0.00 2.95 3.11 0.00 0.00 6.75 7.14 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 33 Y 7.93 3.47 0.00 2.90 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 34 L 7.52 3.64 0.00 1.57 1.43 0.66 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.19 4.08 0.00 2.20 1.54 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 36 F 8.05 4.27 0.00 3.45 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 37 H 7.97 3.66 0.00 2.83 3.07 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.94 3.83 0.00 1.82 1.86 0.00 3.06 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 39 C 7.90 4.16 0.00 3.11 3.18 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 0.00 0.00 0.00 0.00 40 E 7.92 3.65 0.00 1.16 1.57 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 2.12 2.13 0.00 41 K 7.91 3.75 0.00 1.89 1.84 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 42 A 7.86 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 43 M 8.17 3.98 0.00 2.10 2.14 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 2.71 2.99 0.00 44 T 7.65 4.06 4.38 0.00 0.00 0.00 0.00 0.00 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 45 A 7.94 4.55 1.30 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 0.00 0.00 46 K 8.14 4.07 0.00 1.64 1.88 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.32 7.81 47 G 7.54 3.77 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 0.00 0.00 0.00 48 G 8.61 3.94 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 0.00 0.00 0.00 49 D 8.40 4.22 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 50 V 7.84 3.45 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 0.64 0.00 0.00 0.93 0.00 0.00 51 S 7.71 4.37 0.00 4.01 3.87 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 52 V 7.89 4.52 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 0.83 0.00 0.00 0.96 0.00 0.00 53 C 8.59 4.70 0.00 3.38 3.27 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 54 E 8.24 4.06 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 2.33 2.34 0.00 55 W 8.29 4.30 0.00 3.28 2.71 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 56 Y 7.68 4.34 0.00 3.47 3.43 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 57 R 7.88 3.18 0.00 0.67 1.53 0.00 2.82 0.00 0.00 2.90 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.72 0.00 58 R 7.57 3.34 0.00 1.25 0.66 0.00 2.95 0.00 0.00 2.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 0.00 59 V 7.11 3.39 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 1.04 0.00 0.00 0.12 0.00 0.00 60 Y 8.29 4.35 0.00 3.34 3.39 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 61 K 6.98 3.72 0.00 1.61 1.62 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.67 1.17 7.81 62 S 7.54 4.21 0.00 3.99 3.90 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 63 L 7.67 4.14 0.00 1.66 1.69 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.96 4.32 0.00 3.21 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 65 P 0.00 4.23 0.00 1.67 1.64 0.00 2.48 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 66 I 8.51 3.62 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.48 0.89 0.00 0.00 67 S 8.05 4.33 0.00 4.12 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 68 W 7.92 3.55 0.00 2.90 1.74 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 69 V 7.58 3.64 2.30 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 1.46 0.00 0.00 1.29 0.00 0.00 70 S 8.66 4.18 0.00 3.86 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 71 T 8.04 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 1.22 0.00 0.00 72 W 8.42 4.62 0.00 3.34 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 73 D 8.62 4.51 0.00 2.94 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 74 D 8.54 4.45 0.00 3.03 2.81 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 75 R 8.31 4.05 0.00 2.51 2.39 0.00 3.29 0.00 0.00 3.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 76 R 8.57 4.06 0.00 1.98 1.89 0.00 2.63 0.00 0.00 2.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.49 0.00 77 A 7.99 4.03 1.40 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 78 E 8.35 4.24 0.00 2.16 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 2.62 2.38 0.00 79 G 7.85 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 80 T 8.41 4.56 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 1.31 0.00 0.00 81 F 8.35 4.46 0.00 3.15 3.04 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 82 P 0.00 4.14 0.00 2.03 2.02 0.00 3.17 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 1.56 1.71 0.00 83 G 5.92 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 0.00 0.00 0.00 84 K 8.42 4.50 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.51 7.81 85 I 8.34 4.06 1.85 0.00 0.00 0.51 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 0.71 0.80 0.00 0.00