NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2432 8.2644 123.5762 51.0470 19.7892 177.3076 2 S 4.0622 7.7440 114.6180 57.4119 65.8609 170.5405 3 R 4.1880 9.4650 133.4660 57.4481 30.2710 177.7869 4 R 3.9845 7.4956 115.6025 58.6015 30.7500 178.9790 5 L 3.8592 7.7561 119.8457 57.7648 42.1415 178.4031 6 L 3.7432 7.1478 119.0436 58.7967 39.4178 178.9262 7 A 3.9299 7.4921 122.0822 55.1728 18.3565 179.2779 8 S 4.2409 8.0132 110.3665 61.5367 62.2544 176.6149 9 L 3.9963 7.8563 121.7502 57.1736 41.3033 179.0678 10 L 4.0927 7.8864 120.4340 57.8925 42.2242 178.9410 11 R 4.1719 9.1352 116.5180 59.2028 28.8019 178.2902 12 Q 4.0172 8.1533 120.2396 58.6906 28.8921 177.5794 13 S 4.2634 7.8388 115.4408 60.2818 62.8565 176.5120 14 A 4.0293 8.5399 124.8108 55.0738 18.1691 179.5773 15 Q 3.3426 7.6221 113.9094 58.6384 28.5878 177.3115 16 R 4.2948 7.3915 117.4315 55.7419 30.3611 175.3453 17 G 4.3385 8.5835 109.7356 45.6057 0.0000 174.0398 18 G 3.6919 6.8044 115.0022 45.4340 0.0000 171.2323 19 G 4.6790 7.1318 109.1493 44.2272 0.0000 171.8724 20 L 3.6974 8.4556 115.0318 54.6149 39.0809 176.2317 21 I 4.9314 7.6274 131.0226 62.9878 38.2619 175.9225 22 S 4.2448 7.7293 115.1593 60.9758 62.7484 175.7913 23 R 4.2710 7.8351 120.6064 56.5151 32.0315 177.2402 24 S 3.9397 8.0456 108.9192 62.9707 62.5482 175.6485 25 L 4.1587 8.5615 128.0952 57.4878 42.3654 178.9372 26 G 3.9384 7.4253 105.0676 46.2124 0.0000 174.3438 27 N 4.4824 8.2774 118.8716 56.0400 39.7741 175.4655 28 S 4.6955 7.5650 113.6665 57.4934 64.4094 175.5067 29 I 3.8812 7.7648 123.1359 63.2083 38.5687 175.6948 30 P 4.3310 0.0000 0.0000 65.0830 31.4495 176.8973 31 K 4.2496 7.9080 117.1243 56.1788 31.9607 176.6172 32 S 3.5286 7.8481 111.9735 59.4828 61.0665 169.7215 33 A 3.8643 8.7088 117.8889 52.4992 16.4149 180.4973 34 S 4.1182 7.5062 115.1819 62.6853 62.8891 174.9858 35 R 4.4421 7.2275 120.4924 54.3363 30.1052 174.5907 36 A 4.4565 8.0630 123.5404 50.9905 25.8834 176.4132 37 S 4.1446 8.7203 117.3201 57.7388 62.4044 172.1366 38 S 4.2802 7.8812 116.5583 61.6549 63.1608 176.0290 39 R 4.5917 7.6467 116.2098 54.3380 30.3014 174.8365 40 A 4.7080 7.7165 119.0512 51.7831 21.4204 178.8924 41 S 4.1742 8.1111 113.1326 60.9722 63.8547 174.9715 42 P 4.4361 0.0000 0.0000 65.2117 31.7666 178.2543 43 K 3.9676 8.0931 117.8297 58.2654 32.8284 179.0185 44 G 3.6513 8.1234 106.3276 47.9388 0.0000 175.2146 45 F 3.6973 7.9044 122.5974 60.7527 39.3738 176.7050 46 L 4.4327 7.6568 117.3788 57.0201 41.6269 178.2631 47 L 4.2937 8.3149 119.0552 56.9433 41.7101 178.3732 48 N 4.2235 8.9279 118.3020 56.2384 38.7992 176.9463 49 R 3.9141 7.7519 118.7743 58.9954 29.9104 178.2816 50 A 4.0665 7.5306 118.8715 54.8826 18.3996 179.2191 51 V 3.8295 7.0987 115.5841 65.2764 31.7339 177.8893 52 Q 4.0383 7.9009 118.9444 59.4736 29.1068 175.4555 53 Y 4.2339 8.0342 120.9065 58.4044 37.8798 176.5626 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 8.26 4.24 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.74 4.06 0.00 3.87 3.71 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 3 R 9.46 4.19 0.00 2.10 1.99 0.00 3.26 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 4 R 7.50 3.98 0.00 1.84 1.92 0.00 3.32 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 5 L 7.76 3.86 0.00 1.58 1.33 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.15 3.74 0.00 1.91 1.03 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.49 3.93 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 8 S 8.01 4.24 0.00 3.85 3.85 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 9 L 7.86 4.00 0.00 1.78 1.72 0.94 0.43 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 10 L 7.89 4.09 0.00 1.74 1.88 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.14 4.17 0.00 2.08 2.30 0.00 2.80 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 12 Q 8.15 4.02 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 13 S 7.84 4.26 0.00 4.06 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 14 A 8.54 4.03 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 15 Q 7.62 3.34 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 16 R 7.39 4.29 0.00 1.96 1.95 0.00 3.33 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 17 G 8.58 4.34 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 0.00 0.00 0.00 18 G 6.80 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.13 4.68 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 0.00 0.00 0.00 20 L 8.46 3.70 0.00 1.79 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.63 4.93 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 1.50 0.26 0.93 0.00 0.00 22 S 7.73 4.24 0.00 3.99 4.23 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 23 R 7.84 4.27 0.00 1.88 1.91 0.00 3.26 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 24 S 8.05 3.94 0.00 4.02 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 4.16 0.00 1.69 1.73 0.94 0.95 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 26 G 7.43 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 27 N 8.28 4.48 0.00 2.96 2.86 0.00 0.00 6.92 7.27 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 28 S 7.56 4.70 0.00 3.92 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 29 I 7.76 3.88 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 1.50 1.36 0.92 0.00 0.00 30 P 0.00 4.33 0.00 2.22 2.16 0.00 3.69 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 1.98 1.98 0.00 31 K 7.91 4.25 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 32 S 7.85 3.53 0.00 3.97 3.99 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 33 A 8.71 3.86 1.37 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 34 S 7.51 4.12 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 35 R 7.23 4.44 0.00 1.90 1.86 0.00 3.40 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 36 A 8.06 4.46 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 37 S 8.72 4.14 0.00 4.06 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 38 S 7.88 4.28 0.00 3.85 3.97 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 39 R 7.65 4.59 0.00 1.74 1.83 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 40 A 7.72 4.71 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 41 S 8.11 4.17 0.00 3.92 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 42 P 0.00 4.44 0.00 2.22 2.29 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 43 K 8.09 3.97 0.00 1.84 1.92 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.37 7.81 44 G 8.12 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 3.70 0.00 3.17 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 46 L 7.66 4.43 0.00 1.99 1.85 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.31 4.29 0.00 1.83 1.71 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.93 4.22 0.00 2.72 2.62 0.00 0.00 6.61 5.12 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 49 R 7.75 3.91 0.00 2.11 2.00 0.00 3.36 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 50 A 7.53 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.10 3.83 2.20 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 0.92 0.00 0.00 0.99 0.00 0.00 52 Q 7.90 4.04 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.38 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 53 Y 8.03 4.23 0.00 3.16 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