NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3416 8.2644 123.5832 52.2298 19.0653 174.8347 3 R 4.2431 7.9662 118.3633 56.8911 32.0423 175.8999 4 K 4.0371 8.5118 119.0345 58.6991 33.3320 177.2478 5 A 4.3644 7.8463 120.2193 54.4016 19.3856 179.0958 6 L 4.2480 7.8590 117.1998 57.4787 41.5580 178.9995 7 I 4.0044 7.5476 111.2731 62.6497 37.9486 177.5617 8 E 4.1796 7.8235 120.6020 58.9983 29.6378 178.1577 9 K 3.8436 8.3018 118.4718 59.5484 32.2421 178.2981 10 A 3.7867 7.8044 119.9627 54.2112 18.2365 179.6437 11 K 4.0962 7.8749 117.2156 58.5162 32.3668 177.8757 12 R 3.8999 7.5347 118.1257 56.9837 30.1252 177.3710 13 T 4.3313 8.2552 121.5383 60.9735 67.5962 171.7633 14 P 4.9867 0.0000 0.0000 61.4551 34.4253 174.9448 15 K 3.0406 8.7551 113.7093 58.0358 30.7705 174.8476 16 F 3.9423 7.2457 117.6645 55.8840 37.4531 176.9174 17 K 3.9014 9.0829 125.7890 60.1173 32.3691 178.9301 18 V 3.6860 8.1361 111.7480 64.6037 31.7212 177.6614 19 R 4.0440 8.4910 117.9901 58.9348 30.0484 177.5127 20 A 4.0226 7.4325 119.7622 52.9011 18.7028 176.2237 21 Y 4.9716 7.7098 119.3165 54.6225 41.2980 175.3095 22 T 3.9841 8.5538 111.6967 61.8036 69.4067 173.8059 23 R 4.5738 8.2111 124.7373 54.2282 32.9897 174.1575 24 C 4.3021 8.7352 125.7362 59.8422 32.3229 173.3559 25 V 4.0124 7.8235 121.4024 65.1635 31.7876 177.8467 26 R 4.0495 8.1378 117.3426 58.7846 29.8802 176.3261 27 C 4.8723 7.6921 111.5466 55.7609 32.1717 174.9013 28 G 3.3003 9.1164 109.3270 48.5999 0.0000 174.0310 29 R 3.4460 6.9297 118.6972 53.7989 31.0430 175.9834 30 A 4.5650 8.6116 126.0988 52.2618 21.2292 176.5848 31 R 4.4930 7.7790 113.5619 55.7927 32.5899 175.9320 32 S 3.4189 8.3625 114.7481 59.7233 59.5126 172.3232 33 V 4.6363 7.3049 119.3345 61.0501 32.1805 174.5111 34 Y 4.1119 9.2127 127.3017 57.9528 37.9597 176.8804 35 R 4.1305 9.1084 125.0196 59.6767 30.4550 177.5148 36 F 4.1589 8.7527 117.8151 61.4904 39.2369 176.3575 37 F 4.5160 9.0235 116.6546 57.7894 39.4911 176.0239 38 G 4.0016 9.5331 109.5052 46.6061 0.0000 172.9749 39 L 5.0020 7.8236 117.4345 52.3485 45.9168 176.4430 40 C 4.9211 8.4842 116.5821 57.6792 30.4508 174.8341 41 R 4.1583 9.0874 118.4178 59.1592 28.7279 179.2747 42 I 3.6471 7.6466 120.5402 64.5882 37.5022 177.7320 43 C 4.1314 7.9973 116.9883 62.5539 28.0443 175.4433 44 L 3.7346 7.9895 122.1296 58.4558 41.3492 179.2904 45 R 3.7142 7.3905 118.0029 59.3560 29.8195 178.0533 46 E 3.9201 7.8477 117.3540 59.1344 29.6549 179.0848 47 L 4.2375 8.0308 118.3779 57.4123 42.2238 178.7964 48 A 3.9671 7.6834 120.5560 55.8467 18.0505 179.4068 49 H 4.2207 7.7436 113.2037 58.9494 28.7633 177.6966 50 K 4.2702 8.7438 118.8772 56.5780 31.9114 178.6080 51 G 3.8882 8.0513 107.9756 46.2240 0.0000 174.7749 52 Q 4.3610 7.6200 116.6629 55.8938 28.2067 176.1299 53 L 4.6328 7.4120 118.9314 51.9718 42.3743 174.2943 54 P 4.0223 0.0000 0.0000 63.9812 31.5667 178.6385 55 G 3.9813 8.9361 109.5269 46.3163 0.0000 174.0195 56 V 3.7763 7.6595 119.7045 62.9349 32.1039 175.1579 57 R 4.4983 8.3711 123.4442 54.8447 32.7029 174.2234 58 K 3.7727 8.6151 122.3958 57.0815 32.4611 175.8812 59 A 4.9029 8.3778 125.8515 51.0552 21.2025 175.9439 60 S 4.7779 7.9156 114.3760 57.3357 67.0275 174.8640 61 W 4.1290 8.2746 119.1259 57.5293 27.1948 174.2760 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 A 8.26 4.34 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 3 R 7.97 4.24 0.00 1.89 1.85 0.00 3.20 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 4 K 8.51 4.04 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 5 A 7.85 4.36 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 6 L 7.86 4.25 0.00 1.89 1.84 1.04 0.88 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 7 I 7.55 4.00 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.53 0.96 0.00 0.00 8 E 7.82 4.18 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 9 K 8.30 3.84 0.00 1.81 2.05 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 10 A 7.80 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.87 4.10 0.00 1.85 1.84 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.64 7.81 12 R 7.53 3.90 0.00 1.76 1.86 0.00 3.16 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 13 T 8.26 4.33 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 1.18 0.00 0.00 14 P 0.00 4.99 0.00 2.06 2.00 0.00 3.84 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 1.78 1.88 0.00 15 K 8.76 3.04 0.00 1.51 0.84 0.00 0.83 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.15 1.06 7.81 16 F 7.25 3.94 0.00 3.16 2.92 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 0.00 0.00 0.00 17 K 9.08 3.90 0.00 1.96 2.16 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.57 7.81 18 V 8.14 3.69 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 0.81 0.00 0.00 1.12 0.00 0.00 19 R 8.49 4.04 0.00 1.85 2.01 0.00 2.93 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 20 A 7.43 4.02 1.22 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 0.00 0.00 0.00 21 Y 7.71 4.97 0.00 3.03 2.85 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 22 T 8.55 3.98 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 1.25 0.00 0.00 23 R 8.21 4.57 0.00 1.59 1.67 0.00 3.57 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 24 C 8.74 4.30 0.00 3.01 3.09 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 25 V 7.82 4.01 2.12 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 0.85 0.00 0.00 1.09 0.00 0.00 26 R 8.14 4.05 0.00 1.87 1.99 0.00 3.24 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 27 C 7.69 4.87 0.00 3.09 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 28 G 9.12 3.30 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 0.00 29 R 6.93 3.45 0.00 1.83 1.84 0.00 3.11 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 30 A 8.61 4.56 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 31 R 7.78 4.49 0.00 1.79 1.83 0.00 3.32 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 32 S 8.36 3.42 0.00 4.04 3.92 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 0.00 0.00 0.00 33 V 7.30 4.64 2.10 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 0.89 0.00 0.00 0.99 0.00 0.00 34 Y 9.21 4.11 0.00 3.16 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 35 R 9.11 4.13 0.00 1.93 2.10 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 36 F 8.75 4.16 0.00 3.20 3.35 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 0.00 37 F 9.02 4.52 0.00 3.11 3.22 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 0.00 38 G 9.53 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 39 L 7.82 5.00 0.00 1.78 1.56 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.48 4.92 0.00 3.14 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 41 R 9.09 4.16 0.00 2.24 2.48 0.00 2.84 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 42 I 7.65 3.65 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.06 0.91 0.00 0.00 43 C 8.00 4.13 0.00 2.98 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 44 L 7.99 3.73 0.00 1.57 1.65 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.39 3.71 0.00 1.69 1.93 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 46 E 7.85 3.92 0.00 2.14 2.01 0.00 0.00 0.00 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 2.53 0.00 47 L 8.03 4.24 0.00 1.70 1.72 0.97 0.58 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 48 A 7.68 3.97 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 49 H 7.74 4.22 0.00 3.03 3.37 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.74 4.27 0.00 1.88 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.69 7.81 51 G 8.05 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 52 Q 7.62 4.36 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 53 L 7.41 4.63 0.00 1.67 1.82 0.94 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.02 0.00 2.18 2.04 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 55 G 8.94 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 0.00 0.00 0.00 56 V 7.66 3.78 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 0.73 0.00 0.00 1.15 0.00 0.00 57 R 8.37 4.50 0.00 1.77 1.73 0.00 3.34 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 58 K 8.62 3.77 0.00 1.79 1.81 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.42 7.81 59 A 8.38 4.90 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 60 S 7.92 4.78 0.00 3.91 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 61 W 8.27 4.13 0.00 3.29 3.05 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