NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3927 8.2493 123.5833 51.7088 20.7713 176.5925 2 E 4.4289 7.7217 112.1558 55.4689 32.3126 173.8761 3 G 3.9312 9.2402 108.9878 45.6599 0.0000 174.4165 4 D 4.7634 7.6796 118.0418 54.5409 43.6315 177.5204 5 D 4.3913 8.3918 119.0874 57.3489 40.7191 176.5604 6 P 4.5171 0.0000 0.0000 63.1024 31.3371 177.1097 7 A 4.5218 8.3567 120.9288 52.1295 19.9618 179.0604 8 K 3.9518 7.8350 118.3174 59.3827 32.3270 178.7511 9 A 4.0751 8.0213 120.1325 54.4571 18.3622 179.2363 10 A 3.8218 7.5085 120.0339 55.4816 18.3694 179.8978 11 F 4.6241 7.9414 115.5396 60.9206 39.2045 177.6485 12 D 4.1719 8.3359 118.3704 57.5962 40.3101 179.2107 13 S 4.1888 7.9701 114.9188 60.9833 63.2155 176.2606 14 L 4.2387 7.5754 120.5372 57.6264 41.6049 179.1962 15 Q 3.9733 8.9355 118.4025 59.1112 28.5768 178.8893 16 A 4.0410 8.3263 121.7071 55.1854 18.3434 179.7760 17 S 4.0257 7.9487 113.1829 61.1268 62.8775 176.5074 18 A 3.9214 7.9494 123.6255 55.7088 17.7731 179.7655 19 T 3.7512 7.9833 113.4487 66.6892 68.1504 176.6188 20 E 3.8757 7.2924 119.4311 59.7831 29.9337 178.9077 21 M 3.4429 7.7236 117.9676 57.5201 32.1727 178.8377 22 I 3.9343 8.4557 121.0264 64.2711 37.2315 178.5252 23 G 3.8132 7.8428 105.2929 47.7576 0.0000 175.3124 24 Y 4.4215 8.1642 118.9437 60.8731 37.5177 177.7793 25 A 4.2978 8.1700 121.3113 54.6261 18.2823 179.7045 26 W 3.9971 8.3836 117.2212 60.0964 29.3136 178.7939 27 A 4.1602 8.3173 120.3911 54.8604 17.7781 179.5189 28 M 3.9709 8.5239 118.1799 58.6202 32.0062 178.7548 29 V 3.5372 7.3709 116.9618 66.3122 31.6357 178.2244 30 V 3.2238 7.5565 117.5786 65.9993 31.0406 178.0993 31 V 3.5829 8.0756 117.7356 65.7228 31.5582 177.9260 32 I 3.8887 7.7260 119.5346 64.3775 37.2300 178.3582 33 V 3.9482 8.0918 121.5533 65.0883 31.2561 177.9864 34 G 3.7772 8.3797 105.7882 48.0680 0.0000 175.3773 35 A 4.0230 7.8695 122.7026 54.4560 18.7488 179.3251 36 T 3.8069 7.8737 114.5383 67.0493 68.5793 176.6377 37 I 3.8701 8.2441 121.6533 64.2902 37.3780 178.3647 38 G 3.8853 7.8551 106.1500 48.3422 0.0000 175.6306 39 I 3.4299 8.4289 122.4223 63.3311 36.9627 178.8490 40 K 4.0342 8.4740 120.2061 59.4509 31.9730 179.1371 41 L 4.2153 8.0491 118.7039 58.1111 41.1442 179.2004 42 F 3.4687 8.3670 117.5425 60.6971 38.8368 177.9173 43 K 3.9214 7.9456 117.2565 58.7679 31.9047 179.6081 44 K 4.0620 8.2663 119.0946 59.6863 31.8590 179.1912 45 F 4.1220 9.1491 116.9121 60.7385 38.7594 177.8417 46 T 4.1637 7.2501 114.3918 66.8302 68.7535 177.0175 47 S 4.3562 8.2613 116.5309 60.9648 62.6676 176.8955 48 K 4.0890 8.1421 120.8687 59.1795 31.8289 178.7323 49 A 4.1036 8.0879 119.7791 54.9145 18.2336 177.3731 50 S 4.2526 7.5291 116.1431 58.9667 62.8858 174.0356 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 A 8.25 4.39 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 2 E 7.72 4.43 0.00 2.11 1.87 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 2.17 2.37 0.00 3 G 9.24 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 4 D 7.68 4.76 0.00 2.74 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 5 D 8.39 4.39 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.02 2.06 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 7 A 8.36 4.52 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 8 K 7.84 3.95 0.00 1.90 1.96 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.49 7.81 9 A 8.02 4.08 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 10 A 7.51 3.82 1.09 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 0.00 0.00 11 F 7.94 4.62 0.00 3.11 2.93 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 12 D 8.34 4.17 0.00 2.74 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 13 S 7.97 4.19 0.00 4.12 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 14 L 7.58 4.24 0.00 2.15 1.82 0.99 0.90 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 15 Q 8.94 3.97 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 16 A 8.33 4.04 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 17 S 7.95 4.03 0.00 4.13 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 18 A 7.95 3.92 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 19 T 7.98 3.75 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 1.17 0.00 0.00 20 E 7.29 3.88 0.00 2.19 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 2.31 2.50 0.00 21 M 7.72 3.44 0.00 1.94 1.98 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 2.39 2.38 0.00 22 I 8.46 3.93 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 1.13 0.00 0.00 23 G 7.84 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 24 Y 8.16 4.42 0.00 3.13 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 25 A 8.17 4.30 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 26 W 8.38 4.00 0.00 3.42 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 27 A 8.32 4.16 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 28 M 8.52 3.97 0.00 2.01 2.36 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 2.64 2.85 0.00 29 V 7.37 3.54 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 0.94 0.00 0.00 0.84 0.00 0.00 30 V 7.56 3.22 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 1.07 0.00 0.00 1.01 0.00 0.00 31 V 8.08 3.58 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 0.87 0.00 0.00 1.02 0.00 0.00 32 I 7.73 3.89 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.88 0.00 0.00 33 V 8.09 3.95 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 1.38 0.00 0.00 0.93 0.00 0.00 34 G 8.38 3.78 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 0.00 0.00 0.00 35 A 7.87 4.02 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 36 T 7.87 3.81 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 1.19 0.00 0.00 37 I 8.24 3.87 1.88 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 1.47 0.63 0.95 0.00 0.00 38 G 7.86 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 0.00 0.00 0.00 39 I 8.43 3.43 1.85 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 1.29 0.16 0.80 0.00 0.00 40 K 8.47 4.03 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 41 L 8.05 4.22 0.00 2.06 1.99 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.37 3.47 0.00 3.11 3.03 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 43 K 7.95 3.92 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.65 7.81 44 K 8.27 4.06 0.00 2.23 1.96 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.80 7.81 45 F 9.15 4.12 0.00 2.91 3.11 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 0.00 0.00 0.00 0.00 46 T 7.25 4.16 4.43 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 1.25 0.00 0.00 47 S 8.26 4.36 0.00 3.91 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 48 K 8.14 4.09 0.00 1.70 1.83 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 49 A 8.09 4.10 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 50 S 7.53 4.25 0.00 3.93 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