NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8203 8.3549 109.7364 44.8633 0.0000 175.0730 2 S 3.4505 9.2368 114.8242 58.3439 60.9275 170.3059 3 S 4.5753 7.9867 114.6124 57.2305 64.0029 171.6683 4 G 3.9449 7.8899 114.5476 44.6652 0.0000 172.0644 5 S 4.5556 8.0643 123.7052 56.3781 64.3175 174.7894 6 S 4.5445 8.1590 123.3623 55.7885 61.6864 173.0890 7 G 4.4209 7.7874 109.6235 44.5256 0.0000 171.0221 8 V 3.7961 8.2064 119.3411 62.2236 32.6671 175.4358 9 C 5.1342 8.1442 116.9580 58.3931 32.5826 173.1321 10 F 5.6012 8.7615 118.5296 55.1839 42.9818 174.5569 11 V 4.7292 8.1650 111.4660 60.2398 36.3738 173.0133 12 K 4.8669 8.7420 125.4712 54.5025 34.3044 175.1731 13 A 4.3347 8.7668 129.8920 52.0734 17.7903 177.4186 14 L 3.7434 8.6277 122.2656 58.3565 42.3203 178.0267 15 Y 4.9256 7.7338 114.2751 55.4668 41.2948 175.3431 16 D 4.6216 9.1338 122.9485 54.6915 39.7892 175.2097 17 Y 4.7567 8.8504 124.2220 55.9529 41.1550 174.3216 18 E 4.3566 8.2048 126.7536 53.8254 29.5707 174.9051 19 G 3.3741 7.8141 110.1998 46.7153 0.0000 170.9659 20 Q 4.1209 8.8394 124.3766 58.4306 29.3142 176.0233 21 T 4.7239 8.3327 106.3840 59.2387 72.1375 174.3372 22 D 4.3349 8.8808 120.6483 57.7075 41.1110 177.6773 23 D 4.4638 8.4023 117.9368 57.5225 41.0853 176.4632 24 E 4.9338 7.7561 116.4387 55.3231 30.9469 175.8555 25 L 4.9008 8.6385 122.0372 53.4108 44.6732 175.4863 26 S 4.6002 8.8418 120.7081 55.5875 64.6241 173.2562 27 F 4.7790 7.0907 119.2451 53.7350 41.2937 172.6559 28 P 4.7174 0.0000 0.0000 62.2651 32.6431 175.3873 29 E 3.9463 8.6890 120.9199 59.3841 29.4411 177.1337 30 G 3.9992 9.0885 120.4639 45.9164 0.0000 171.7662 31 A 4.9086 7.7212 119.4979 49.9028 22.2029 177.0910 32 I 4.6654 8.4557 122.3422 60.7538 38.6884 175.4564 33 I 4.6362 8.5795 126.2279 59.4823 41.2819 174.8333 34 R 3.0794 8.1109 126.3638 54.1797 30.7706 175.4062 35 I 3.8286 8.1327 128.5289 62.2247 37.0664 175.6825 36 L 4.5750 9.1008 126.5055 55.8017 43.7121 176.9263 37 N 4.9801 7.9497 114.7782 50.8015 42.8362 175.4023 38 K 3.9559 8.4406 123.2458 56.0920 33.0990 176.9080 39 E 4.4026 8.1048 120.1090 54.8410 28.8444 175.0350 40 N 4.8913 8.4049 119.6960 51.9472 41.5038 173.1816 41 Q 4.4121 8.7516 121.7369 57.7803 31.2448 176.2303 42 D 4.3666 8.2233 115.1168 57.2273 41.4816 176.0093 43 D 4.5017 7.9780 116.1716 54.0936 41.3310 176.3573 44 D 4.5128 8.8887 118.8842 58.1612 40.9919 177.3444 45 G 3.5358 7.6197 112.3490 45.5880 0.0000 172.2264 46 F 4.9576 7.9514 118.7096 54.8104 41.2215 176.2035 47 W 4.8905 7.5579 122.0418 55.3064 32.3218 174.1239 48 E 5.2406 8.0202 121.3608 53.7167 31.2014 174.9002 49 G 4.7125 9.0628 112.2810 45.0282 0.0000 170.8347 50 E 5.0649 8.6634 123.4178 54.9917 31.8657 174.8571 51 F 4.7300 9.4919 128.1077 57.4946 43.3954 173.7274 52 N 3.8584 9.1135 124.3866 54.4727 37.2300 173.3391 53 G 3.9285 8.2993 98.7903 46.3474 0.0000 174.4643 54 R 4.6126 8.1752 117.6591 54.1947 33.9634 174.5411 55 I 4.8227 8.5898 123.8222 59.7576 38.8837 174.8286 56 G 4.7499 8.4804 113.0006 44.8480 0.0000 171.0348 57 V 5.7207 8.9886 111.9302 58.5630 36.1466 174.8424 58 F 5.3694 8.1007 118.1347 54.2025 41.4575 173.8284 59 P 2.0000 0.0000 0.0000 62.1387 31.0173 176.6313 60 S 3.5856 7.5334 111.7225 59.3145 61.5950 173.2315 61 V 4.1261 6.9749 112.3388 62.4663 33.8235 176.4876 62 L 4.7509 7.6899 118.1377 54.6474 42.5054 176.4092 63 V 4.9855 7.6475 111.3412 59.4543 35.6817 174.3590 64 E 4.7856 8.8825 122.8464 54.1663 32.6881 175.0926 65 E 4.4507 8.9834 125.4734 56.6068 30.5860 176.5728 66 L 4.6892 8.5538 123.6182 53.2079 42.8584 176.3541 67 S 4.6453 8.5556 118.5481 57.4572 64.6444 173.8289 68 S 4.7628 8.3321 115.4221 58.1158 63.2705 174.6211 69 G 4.2427 7.6369 107.1462 43.1030 0.0000 171.6206 70 P 4.2841 0.0000 0.0000 62.0758 32.0321 176.0903 71 S 4.1799 8.6341 116.6843 58.2254 62.3941 173.3336 72 S 4.0109 8.6413 123.2485 61.7622 62.4334 174.3029 73 G 4.0528 8.1961 112.0332 45.7764 0.0000 173.1959 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 1 G 8.35 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 0.00 0.00 0.00 2 S 9.24 3.45 0.00 4.03 3.88 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 3 S 7.99 4.58 0.00 3.82 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 4 G 7.89 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 5 S 8.06 4.56 0.00 3.80 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 6 S 8.16 4.54 0.00 3.83 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 7 G 7.79 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.21 3.80 2.15 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 0.72 0.00 0.00 1.12 0.00 0.00 9 C 8.14 5.13 0.00 2.71 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 10 F 8.76 5.60 0.00 2.78 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 V 8.17 4.73 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.88 0.00 0.00 12 K 8.74 4.87 0.00 1.81 1.61 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.34 7.81 13 A 8.77 4.33 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.63 3.74 0.00 1.32 0.94 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.73 4.93 0.00 2.83 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 16 D 9.13 4.62 0.00 2.70 2.83 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 17 Y 8.85 4.76 0.00 3.13 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 0.00 0.00 0.00 0.00 18 E 8.20 4.36 0.00 1.66 1.68 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 2.11 2.14 0.00 19 G 7.81 3.37 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 20 Q 8.84 4.12 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 21 T 8.33 4.72 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 22 D 8.88 4.33 0.00 2.69 2.80 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 0.00 0.00 0.00 23 D 8.40 4.46 0.00 2.67 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 24 E 7.76 4.93 0.00 2.10 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 2.45 2.25 0.00 25 L 8.64 4.90 0.00 1.90 1.81 1.22 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.84 4.60 0.00 3.66 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.09 4.78 0.00 2.71 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 0.00 0.00 0.00 0.00 28 P 0.00 4.72 0.00 2.17 2.18 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 29 E 8.69 3.95 0.00 2.36 1.99 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 2.26 2.47 0.00 30 G 9.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 4.67 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 1.14 0.00 0.00 33 I 8.58 4.64 1.51 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.89 0.79 0.00 0.00 34 R 8.11 3.08 0.00 1.48 1.66 0.00 3.19 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.00 35 I 8.13 3.83 1.83 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.70 0.00 0.00 36 L 9.10 4.57 0.00 1.63 1.69 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.95 4.98 0.00 2.59 2.63 0.00 0.00 6.89 7.16 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 38 K 8.44 3.96 0.00 1.38 1.23 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.85 7.81 39 E 8.10 4.40 0.00 1.95 1.92 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 2.21 2.27 0.00 40 N 8.40 4.89 0.00 2.89 2.81 0.00 0.00 6.96 7.83 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 41 Q 8.75 4.41 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.10 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 42 D 8.22 4.37 0.00 2.69 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 43 D 7.98 4.50 0.00 2.74 2.67 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 44 D 8.89 4.51 0.00 2.63 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 45 G 7.62 3.54 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 0.00 0.00 0.00 46 F 7.95 4.96 0.00 2.72 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 47 W 7.56 4.89 0.00 2.50 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 48 E 8.02 5.24 0.00 2.02 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 2.28 2.40 0.00 49 G 9.06 4.71 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 50 E 8.66 5.06 0.00 2.06 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 2.31 2.31 0.00 51 F 9.49 4.73 0.00 3.08 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 52 N 9.11 3.86 0.00 1.72 2.61 0.00 0.00 7.24 7.99 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 53 G 8.30 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 54 R 8.18 4.61 0.00 2.27 1.91 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 55 I 8.59 4.82 1.94 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 1.42 0.62 0.99 0.00 0.00 56 G 8.48 4.75 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 0.00 0.00 0.00 57 V 8.99 5.72 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 0.96 0.00 0.00 1.10 0.00 0.00 58 F 8.10 5.37 0.00 3.06 3.34 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 59 P 0.00 2.00 0.00 1.60 1.50 0.00 3.49 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.29 0.00 60 S 7.53 3.59 0.00 2.72 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 61 V 6.97 4.13 1.93 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 0.40 0.00 0.00 0.69 0.00 0.00 62 L 7.69 4.75 0.00 1.63 1.84 0.80 0.94 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 63 V 7.65 4.99 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 0.34 0.00 0.00 1.04 0.00 0.00 64 E 8.88 4.79 0.00 2.00 1.71 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 2.18 2.30 0.00 65 E 8.98 4.45 0.00 1.94 1.92 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 2.41 2.47 0.00 66 L 8.55 4.69 0.00 1.54 1.62 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.56 4.65 0.00 3.97 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 68 S 8.33 4.76 0.00 3.86 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 69 G 7.64 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 0.00 0.00 0.00 0.00 70 P 0.00 4.28 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 71 S 8.63 4.18 0.00 3.85 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 72 S 8.64 4.01 0.00 3.86 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 73 G 8.20 4.05 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 0.00 0.00 0.00