NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4240 0.0000 0.0000 62.7689 32.7531 175.1124 3 Y 4.2822 8.0491 121.2438 55.6301 41.4056 171.8057 4 S 4.0627 7.3608 118.0961 58.8277 63.6679 173.5144 5 S 4.6848 8.5333 120.0161 58.2567 63.2623 173.6754 6 D 4.7957 7.7881 121.1590 53.2193 41.9022 176.5373 7 T 4.1438 8.2486 111.2554 62.2310 69.3605 173.7524 8 T 4.7195 8.1485 118.9383 60.9907 71.8886 172.1495 9 P 4.5759 0.0000 0.0000 62.7552 32.2839 176.2313 10 C 5.0102 8.5105 117.7382 55.2985 44.1841 173.7222 11 C 4.9282 8.1358 118.1216 55.4276 41.9702 174.1241 12 F 4.5614 8.4816 119.8011 56.8661 40.0262 174.6794 13 A 4.4283 7.3368 121.7397 51.0591 21.7901 175.3637 14 Y 5.1163 7.9798 117.7565 55.6503 40.7435 175.9485 15 I 3.8338 8.6491 124.3962 61.0219 38.6732 175.9383 16 A 4.1969 9.0285 133.1262 55.1784 18.5208 178.0838 17 R 4.6237 7.4437 110.9576 53.0186 33.4618 175.3709 18 P 2.0000 0.0000 0.0000 62.5788 31.4924 176.9697 19 L 4.1238 7.1103 122.3429 53.3415 42.6936 175.0536 20 P 4.2039 0.0000 0.0000 62.4844 31.8872 177.3405 21 R 3.2437 8.8251 123.8830 59.2865 29.8861 178.1452 22 A 4.0661 7.7407 118.2023 54.6633 18.6475 177.3878 23 H 4.7026 8.1501 112.2766 55.9295 29.2122 174.5376 24 I 4.9013 7.5640 121.8405 59.4498 38.5261 175.2986 25 K 4.6183 8.9130 124.1810 57.5945 34.9094 175.5767 26 E 5.1119 8.1168 118.4762 55.6224 34.5564 173.2430 27 Y 5.7552 8.4352 117.2664 57.2417 40.8923 173.8551 28 F 4.6573 7.8418 112.5935 56.1504 40.9095 172.5228 29 Y 4.8052 8.8898 119.2197 57.4750 38.8076 175.6384 30 T 4.4064 8.3593 113.9278 61.1404 70.1513 174.3326 31 S 4.2408 8.9954 116.9963 58.7768 62.7476 175.6385 32 G 3.8035 8.6048 114.3271 47.5870 0.0000 174.9524 33 K 3.9904 8.0307 119.4810 59.0991 32.2441 177.2975 34 C 4.5082 7.6865 115.8835 56.5061 40.6266 174.0907 35 S 4.1127 8.5867 116.9854 60.4182 62.9868 174.3131 36 N 5.0599 7.6070 116.9407 50.2472 40.9920 172.4392 37 P 4.4997 0.0000 0.0000 62.9541 32.6538 175.1247 38 A 4.5971 7.8911 118.6061 51.4220 22.6909 175.0081 39 V 4.0778 8.2387 120.0192 60.7257 34.4499 174.5637 40 V 4.4517 7.7711 128.0554 61.0635 33.3739 174.1952 41 F 5.1896 8.8911 127.8404 56.6239 40.9234 175.0488 42 V 4.8772 9.0505 124.2377 61.6029 33.2111 175.7494 43 T 5.0266 8.8687 119.1806 61.1201 70.3999 175.8616 44 R 4.0483 8.9459 122.6293 58.6991 30.1186 178.5567 45 K 4.3540 7.9668 117.9920 53.9045 31.8864 181.6091 46 N 4.4744 8.0783 114.6632 55.4626 36.3762 174.6515 47 R 4.5238 7.9049 116.6340 55.6999 32.2724 175.6004 48 Q 5.0932 8.6349 119.6209 54.3250 31.3523 175.0804 49 V 4.5004 8.8000 124.7538 61.1211 34.2941 174.0259 50 C 4.9968 8.8766 125.0299 56.8950 41.2815 172.4266 51 A 5.1015 9.1161 123.9599 50.1955 23.2195 174.7053 52 N 3.6833 8.0720 118.2249 51.4930 39.2273 174.5386 53 P 4.0524 0.0000 0.0000 65.6582 31.5883 177.9765 54 E 4.1310 8.5854 113.3250 57.1154 30.3780 182.8778 55 K 4.1217 7.4521 117.8531 56.2534 33.8155 177.6948 56 K 3.8522 8.5487 124.7701 59.4964 32.2390 179.2317 57 W 4.3485 8.1209 116.3829 59.3883 27.9043 178.3213 58 V 2.8124 6.5441 121.0826 66.2439 30.9620 178.7407 59 R 3.8931 7.5249 119.8920 61.3199 29.1258 180.4797 60 E 4.2304 8.3058 119.0583 59.6279 29.4598 178.9480 61 Y 4.1533 8.4809 116.9938 61.1554 37.9088 178.9144 62 I 3.3362 7.7960 120.6019 64.4325 36.9788 178.1957 63 N 4.3610 8.0165 115.9419 56.3075 38.5718 177.2185 64 S 4.2331 8.2562 114.6239 61.4581 61.1443 176.1885 65 L 4.0763 8.3355 122.0662 57.8054 41.1610 178.9063 66 E 4.3167 8.2591 116.5453 58.1328 29.4954 178.3876 67 M 4.2839 7.8227 118.7962 57.6179 32.7372 176.2123 68 S 4.3179 7.3184 115.9359 59.0007 63.0398 174.1842 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 2 P 0.00 4.42 0.00 2.09 2.08 0.00 3.72 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 1.95 2.10 0.00 3 Y 8.05 4.28 0.00 2.92 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 4 S 7.36 4.06 0.00 3.57 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.68 0.00 4.03 3.96 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 0.00 0.00 0.00 6 D 7.79 4.80 0.00 2.67 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 7 T 8.25 4.14 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 1.24 0.00 0.00 8 T 8.15 4.72 4.35 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 1.35 0.00 0.00 9 P 0.00 4.58 0.00 2.33 2.15 0.00 3.78 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 2.16 2.08 0.00 10 C 8.51 5.01 0.00 2.77 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.14 4.93 0.00 2.75 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 12 F 8.48 4.56 0.00 2.96 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 13 A 7.34 4.43 1.18 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 0.00 0.00 14 Y 7.98 5.12 0.00 3.01 2.78 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 0.00 0.00 0.00 0.00 15 I 8.65 3.83 2.04 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 1.45 0.82 1.35 0.00 0.00 16 A 9.03 4.20 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 17 R 7.44 4.62 0.00 1.79 1.66 0.00 3.28 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 18 P 0.00 2.00 0.00 1.37 0.65 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.00 19 L 7.11 4.12 0.00 1.67 1.61 1.16 1.12 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 20 P 0.00 4.20 0.00 1.75 1.74 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 21 R 8.83 3.24 0.00 1.16 1.66 0.00 2.45 0.00 0.00 2.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 22 A 7.74 4.07 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.15 4.70 0.00 3.35 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.56 4.90 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 1.06 0.00 0.00 25 K 8.91 4.62 0.00 1.77 1.94 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.46 7.81 26 E 8.12 5.11 0.00 2.02 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 0.00 2.36 2.38 0.00 27 Y 8.44 5.76 0.00 2.65 3.08 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 28 F 7.84 4.66 0.00 3.01 2.96 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 0.00 0.00 0.00 29 Y 8.89 4.81 0.00 2.90 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 30 T 8.36 4.41 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 1.21 0.00 0.00 31 S 9.00 4.24 0.00 4.02 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 32 G 8.60 3.80 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 0.00 0.00 0.00 33 K 8.03 3.99 0.00 1.55 1.66 0.00 1.37 0.00 0.00 1.46 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.36 7.81 34 C 7.69 4.51 0.00 3.01 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 35 S 8.59 4.11 0.00 4.01 4.06 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 36 N 7.61 5.06 0.00 2.67 2.78 0.00 0.00 6.93 8.02 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 37 P 0.00 4.50 0.00 2.20 2.06 0.00 3.88 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 1.97 0.00 38 A 7.89 4.60 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 39 V 8.24 4.08 1.42 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 -0.31 0.00 0.00 0.22 0.00 0.00 40 V 7.77 4.45 0.67 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 0.73 0.00 0.00 0.55 0.00 0.00 41 F 8.89 5.19 0.00 3.14 2.99 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 0.00 0.00 0.00 42 V 9.05 4.88 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 1.15 0.00 0.00 1.14 0.00 0.00 43 T 8.87 5.03 4.39 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 1.31 0.00 0.00 44 R 8.95 4.05 0.00 1.83 2.03 0.00 3.25 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 45 K 7.97 4.35 0.00 1.77 1.68 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.01 7.81 46 N 8.08 4.47 0.00 2.92 3.01 0.00 0.00 6.90 7.26 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 47 R 7.90 4.52 0.00 1.85 1.89 0.00 3.09 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 48 Q 8.63 5.09 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 49 V 8.80 4.50 2.31 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 1.25 0.00 0.00 1.04 0.00 0.00 50 C 8.88 5.00 0.00 3.04 3.10 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 51 A 9.12 5.10 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.07 3.68 0.00 1.62 2.22 0.00 0.00 6.97 7.71 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 53 P 0.00 4.05 0.00 2.01 2.15 0.00 3.43 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 54 E 8.59 4.13 0.00 1.94 1.86 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 2.25 2.15 0.00 55 K 7.45 4.12 0.00 1.30 1.34 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.24 1.49 7.81 56 K 8.55 3.85 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.51 7.81 57 W 8.12 4.35 0.00 3.26 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 58 V 6.54 2.81 1.67 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 0.59 0.00 0.00 -0.63 0.00 0.00 59 R 7.52 3.89 0.00 1.89 1.92 0.00 3.32 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 60 E 8.31 4.23 0.00 2.34 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 0.00 2.37 2.70 0.00 61 Y 8.48 4.15 0.00 3.16 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 62 I 7.80 3.34 1.89 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.85 0.65 0.00 0.00 63 N 8.02 4.36 0.00 2.87 2.91 0.00 0.00 7.06 7.18 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 64 S 8.26 4.23 0.00 3.87 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 65 L 8.34 4.08 0.00 1.95 1.96 1.26 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.26 4.32 0.00 2.17 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 2.68 2.62 0.00 67 M 7.82 4.28 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.93 0.00 68 S 7.32 4.32 0.00 3.86 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