NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3772 8.3049 120.3479 55.0762 33.7319 175.9824 2 L 3.9661 7.6178 118.1889 53.2867 43.5352 174.3365 3 S 4.1707 8.9709 108.4339 62.1847 59.5554 170.1068 4 V 3.1073 6.7212 120.5224 65.2303 32.7267 177.0019 5 A 3.8789 7.8584 120.1328 56.0395 18.2839 179.3599 6 A 4.0766 7.8799 117.5950 54.6453 18.3734 179.2657 7 R 4.0819 7.7386 113.3183 55.7522 30.1586 173.5764 8 S 3.6624 8.0921 118.1473 58.1238 63.0073 171.0317 9 G 4.5007 8.1787 114.6661 45.6794 0.0000 172.2483 10 P 4.5897 0.0000 0.0000 61.3316 32.3173 176.7304 11 F 3.9729 8.4885 119.1483 57.5801 39.7144 175.8727 12 A 4.5317 8.5007 124.6983 50.5838 21.1104 173.4622 13 P 4.9105 0.0000 0.0000 63.0313 32.6342 176.2864 14 V 4.5198 8.6383 123.1899 61.0226 34.4397 174.0314 15 L 5.1752 8.4028 127.4846 53.7361 45.4956 174.6518 16 S 4.5185 8.3406 115.2524 57.4113 65.4853 173.9709 17 A 4.2732 8.5238 125.2500 54.4873 19.0484 178.4321 18 T 4.2940 7.7415 107.6754 63.2643 68.8025 174.8416 19 S 4.7204 7.6512 117.4212 57.5001 64.9311 172.8067 20 R 4.6406 8.2616 120.1230 54.6023 32.6488 175.6689 21 G 3.7606 8.7396 108.8930 47.0747 0.0000 172.7411 22 V 4.6830 8.9317 125.2086 61.1571 35.1602 174.7313 23 A 4.9174 8.6302 126.3338 49.8402 20.7411 176.2949 24 G 4.2770 8.5095 111.5037 46.6445 0.0000 171.3007 25 A 4.2833 7.1475 125.1833 51.2042 21.3374 177.5712 26 L 4.7443 7.3167 112.7828 53.5234 45.7066 176.5605 27 R 4.7166 7.9664 117.8252 55.5013 31.9544 171.9907 28 P 4.6084 0.0000 0.0000 61.2444 32.5525 176.8687 29 L 5.6444 8.1066 131.8739 57.0600 41.2951 175.8317 30 V 3.5927 7.2608 118.3735 66.1498 31.6095 177.1455 31 Q 4.4628 8.0930 114.6788 56.2059 28.1016 176.1201 32 A 4.5903 7.8850 121.0039 52.0867 20.7778 177.9840 33 A 4.2281 7.6735 117.0808 53.3820 18.6081 178.5899 34 V 3.6861 7.1754 115.7575 64.5416 32.1681 174.1995 35 P 4.1837 0.0000 0.0000 62.6585 30.6867 176.3540 36 A 4.3702 7.9989 126.7846 51.2491 19.9740 176.2299 37 T 3.6972 8.3823 114.1960 64.3411 66.9513 173.5910 38 S 4.5656 7.8325 119.9715 56.2824 61.7598 174.0335 39 E 3.5535 8.1571 121.4689 56.1642 29.3891 178.7525 40 S 4.4653 8.5874 113.0089 58.5623 63.4193 167.8011 41 P 4.5620 0.0000 0.0000 62.3153 32.6596 176.8539 42 V 4.2185 7.8059 118.0967 61.9472 30.7379 175.1471 43 L 3.5131 7.5202 122.3489 55.4948 38.3809 174.3325 44 D 4.7783 7.5950 119.6247 52.7835 43.6773 175.2837 45 L 4.2647 8.2381 118.4260 55.3162 41.5381 177.2384 46 K 4.3177 7.5724 128.8340 54.9933 34.0876 174.3809 47 R 4.5787 8.9611 110.1546 54.1029 31.6457 175.2342 48 S 5.3562 7.7244 118.0753 57.2800 64.4385 176.9438 49 V 4.2399 7.7033 123.0691 61.8085 33.9051 174.9602 50 L 3.9449 8.8379 124.3198 54.4182 40.0904 175.2735 51 C 3.9375 7.8612 117.8267 58.9239 31.6792 171.5125 52 R 4.7256 8.9348 118.4682 54.6452 32.8320 173.6340 53 E 4.5377 7.9024 122.0655 55.9456 30.6042 176.8209 54 S 4.8776 7.3251 112.7144 57.1244 67.5248 173.9157 55 L 4.3898 7.2613 127.4168 54.4150 48.1440 178.6399 56 R 4.5426 8.0855 128.5562 57.6978 32.6385 173.2847 57 G 3.7407 8.2583 105.4086 45.5369 0.0000 171.9273 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 M 8.30 4.38 0.00 1.99 2.11 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 2.56 0.00 2 L 7.62 3.97 0.00 1.75 1.63 0.92 0.70 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 3 S 8.97 4.17 0.00 3.94 4.13 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 0.00 0.00 0.00 0.00 4 V 6.72 3.11 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 0.82 0.00 0.00 0.93 0.00 0.00 5 A 7.86 3.88 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 6 A 7.88 4.08 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 7 R 7.74 4.08 0.00 1.82 2.14 0.00 3.41 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 8 S 8.09 3.66 0.00 4.00 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 9 G 8.18 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.04 2.00 0.00 3.61 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 2.00 2.08 0.00 11 F 8.49 3.97 0.00 3.11 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 12 A 8.50 4.53 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 13 P 0.00 4.91 0.00 1.97 1.99 0.00 3.67 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 2.03 2.10 0.00 14 V 8.64 4.52 2.11 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 1.07 0.00 0.00 0.95 0.00 0.00 15 L 8.40 5.18 0.00 1.65 1.48 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.34 4.52 0.00 3.82 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 17 A 8.52 4.27 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.74 4.29 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 1.21 0.00 0.00 19 S 7.65 4.72 0.00 3.90 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 20 R 8.26 4.64 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 21 G 8.74 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 0.00 0.00 0.00 22 V 8.93 4.68 2.11 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 1.00 0.00 0.00 1.00 0.00 0.00 23 A 8.63 4.92 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.51 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 4.28 0.08 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 26 L 7.32 4.74 0.00 1.62 1.42 0.84 0.69 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 27 R 7.97 4.72 0.00 1.74 1.89 0.00 3.00 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 28 P 0.00 4.61 0.00 2.07 2.03 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 29 L 8.11 5.64 0.00 1.84 1.71 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.26 3.59 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 0.94 0.00 0.00 0.93 0.00 0.00 31 Q 8.09 4.46 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 A 7.89 4.59 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 33 A 7.67 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.18 3.69 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 0.83 0.00 0.00 0.97 0.00 0.00 35 P 0.00 4.18 0.00 2.08 2.03 0.00 3.83 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 2.03 2.08 0.00 36 A 8.00 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 3.70 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 1.21 0.00 0.00 38 S 7.83 4.57 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 39 E 8.16 3.55 0.00 1.95 1.83 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 2.33 2.33 0.00 40 S 8.59 4.47 0.00 4.07 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 41 P 0.00 4.56 0.00 2.06 2.36 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 42 V 7.81 4.22 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 0.84 0.00 0.00 0.93 0.00 0.00 43 L 7.52 3.51 0.00 1.84 1.73 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.59 4.78 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.26 0.00 1.62 1.67 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.57 4.32 0.00 1.64 1.64 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.41 7.81 47 R 8.96 4.58 0.00 1.89 1.72 0.00 3.40 0.00 0.00 3.28 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 S 7.72 5.36 0.00 4.11 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 49 V 7.70 4.24 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 0.86 0.00 0.00 0.94 0.00 0.00 50 L 8.84 3.94 0.00 1.86 1.83 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.86 3.94 0.00 3.07 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 52 R 8.93 4.73 0.00 1.79 1.77 0.00 3.26 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 53 E 7.90 4.54 0.00 2.05 2.16 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 2.11 2.04 0.00 54 S 7.33 4.88 0.00 3.90 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 55 L 7.26 4.39 0.00 1.59 0.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.09 4.54 0.00 1.88 1.77 0.00 3.17 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 57 G 8.26 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 0.00 0.00 0.00