NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2800 8.4293 120.2146 55.1381 31.1593 175.2079 2 P 4.1567 0.0000 0.0000 62.5549 32.4033 174.2521 3 R 4.1399 8.4440 122.3213 55.7393 31.1680 177.5901 4 A 4.1592 9.4234 125.6825 51.9786 19.5493 176.6062 5 E 4.6914 8.7005 121.1483 54.0374 31.4659 175.0090 6 D 4.8107 8.8567 124.7963 56.5336 41.2872 177.4803 7 G 4.0207 10.0631 112.1253 45.6175 0.0000 173.8393 8 H 4.0601 7.9391 118.3356 58.7097 30.2859 174.4464 9 A 4.4179 7.7349 120.1050 51.9539 22.3682 175.2310 10 H 3.9395 9.2795 115.4641 57.1988 26.4948 175.1485 11 D 4.5766 8.4683 112.2052 55.2623 38.2615 173.9717 12 Y 4.5895 8.0786 120.0137 58.0901 39.6215 175.5261 13 V 4.6218 7.6015 124.7678 60.0089 34.2963 176.0530 14 N 4.5286 8.7305 119.9167 54.3333 38.9667 175.1954 15 E 4.3378 7.4609 118.3168 52.6181 30.5032 175.0021 16 A 3.7258 8.8029 127.6599 55.1120 18.0105 178.8574 17 A 3.9655 7.9735 118.2477 55.3220 18.0466 179.2895 18 D 4.2479 8.5650 117.3671 56.6187 40.9607 177.6717 19 A 4.0895 7.7913 119.4580 52.8253 18.9373 179.0506 20 S 3.4065 6.7826 113.9035 61.4038 62.9363 177.2891 21 G 3.9229 7.5873 107.6562 46.2300 0.0000 172.4690 22 H 4.8005 7.8226 120.4183 52.9592 31.2853 173.0620 23 P 4.2435 0.0000 0.0000 66.0349 30.8611 177.3199 24 R 4.2666 8.2572 117.0846 58.0073 30.5512 175.8835 25 Y 3.9529 7.9310 119.3111 57.6054 38.8454 175.1129 26 Q 4.1858 7.3465 124.1556 53.3054 32.6615 174.6962 27 E 3.8049 8.1493 120.7147 57.7897 29.8134 177.5236 28 G 3.8629 8.8509 111.1350 45.1446 0.0000 173.0933 29 Q 4.2168 7.0182 118.5375 54.1731 29.1621 174.9745 30 L 5.1532 8.1499 122.3310 52.6293 45.7436 177.7504 31 C 4.3103 9.0061 118.8474 63.0185 28.4027 176.1891 32 E 2.5400 7.6932 120.0347 58.3007 29.2800 177.1154 33 N 4.7537 7.9052 114.1758 52.5269 37.7737 174.0213 34 C 4.4582 7.7612 119.7541 58.9914 32.2907 174.2218 35 A 3.9692 8.2085 127.9505 53.7627 17.9939 178.3134 36 F 4.6997 7.6481 113.0303 55.9792 39.6442 174.8900 37 W 4.1561 7.9258 132.2725 57.5616 29.9393 175.9216 38 G 3.6870 9.4178 118.0540 46.7223 0.0000 171.7758 39 E 4.7003 6.5724 114.5441 54.5258 32.6495 174.7431 40 A 4.5855 8.6902 123.8473 51.8553 20.0272 176.2937 41 V 4.1580 8.8396 117.3145 62.4292 33.7370 176.2372 42 Q 4.5671 8.5649 113.5045 55.5411 32.9190 175.4056 43 D 4.4368 10.1800 123.6126 55.4906 38.6235 174.3921 44 G 3.8808 8.2786 107.0288 44.8798 0.0000 172.8748 45 W 5.3272 8.0287 119.7059 56.1574 30.8246 175.9068 46 G 3.6861 9.6544 107.0854 45.8308 0.0000 171.2692 47 R 4.8911 7.7318 118.2035 54.3455 33.4717 174.8071 48 C 5.2455 8.4172 123.7579 58.0660 32.4401 174.3119 49 T 3.9952 10.6273 117.3105 64.2538 70.0535 174.4059 50 H 3.8569 7.8790 120.5835 55.9191 30.0476 173.7387 51 P 4.2209 0.0000 0.0000 65.9196 31.2853 177.2787 52 D 4.3612 8.3081 116.2265 56.1401 41.2564 176.7267 53 F 4.9278 8.2927 118.5712 57.0162 39.4372 176.8610 54 D 4.6183 8.3125 120.7778 55.3616 39.2854 176.3188 55 E 4.6604 8.1100 117.5333 55.8402 30.8282 174.9132 56 V 4.6901 7.3711 110.5598 59.5670 35.7009 174.6554 57 L 4.7955 8.8341 121.6418 53.4052 44.0030 176.6617 58 V 4.9708 8.9428 115.9396 59.6270 35.5759 174.2692 59 K 4.4902 9.0787 123.3492 54.9373 33.1671 176.8984 60 A 3.4844 9.1055 131.5003 55.3597 18.5610 178.5270 61 E 4.1963 7.9776 112.5357 56.3478 29.8668 176.2570 62 G 4.1927 8.0263 109.0425 45.6737 0.0000 172.4629 63 W 5.5405 8.8476 128.2211 56.6264 34.8022 173.0430 64 C 5.0565 7.5115 117.8395 56.2476 32.4153 174.9640 65 S 3.5453 8.2320 115.5017 60.1872 62.5059 175.1892 66 V 4.0826 7.0583 113.2948 61.0947 31.5594 175.0619 67 Y 3.9444 7.3259 121.7444 58.0238 39.0053 175.4452 68 A 4.6598 7.4124 127.4609 48.9177 22.9882 173.1275 69 P 4.4152 0.0000 0.0000 62.4774 31.8175 176.2696 70 A 4.1100 8.4281 126.6388 52.0232 19.2661 177.5790 71 S 4.2761 8.3802 113.7541 58.4059 63.4401 174.1805 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 E 8.43 4.28 0.00 1.90 2.06 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 2.18 2.33 0.00 2 P 0.00 4.16 0.00 2.11 2.10 0.00 3.79 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 2.02 2.01 0.00 3 R 8.44 4.14 0.00 1.20 1.04 0.00 2.49 0.00 0.00 2.71 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 4 A 9.42 4.16 1.10 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 0.00 0.00 5 E 8.70 4.69 0.00 2.13 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 2.45 0.00 6 D 8.86 4.81 0.00 2.79 2.72 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 7 G 10.06 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 7.94 4.06 0.00 3.41 3.44 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.73 4.42 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.28 3.94 0.00 3.50 3.37 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.47 4.58 0.00 3.01 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 12 Y 8.08 4.59 0.00 3.66 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 13 V 7.60 4.62 2.05 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 0.76 0.00 0.00 0.91 0.00 0.00 14 N 8.73 4.53 0.00 2.79 2.90 0.00 0.00 6.69 7.75 0.00 0.00 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 E 7.46 4.34 0.00 1.91 1.77 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 2.41 2.31 0.00 16 A 8.80 3.73 1.44 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 0.00 0.00 17 A 7.97 3.97 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 18 D 8.56 4.25 0.00 2.78 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 19 A 7.79 4.09 0.73 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 0.00 0.00 20 S 6.78 3.41 0.00 3.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 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 0.00 0.00 0.00 22 H 7.82 4.80 0.00 3.23 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.24 0.00 2.25 2.22 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 24 R 8.26 4.27 0.00 2.13 2.54 0.00 3.41 0.00 0.00 3.48 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 25 Y 7.93 3.95 0.00 1.83 2.72 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 26 Q 7.35 4.19 0.00 1.90 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.76 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 27 E 8.15 3.80 0.00 1.82 1.80 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 2.24 2.20 0.00 28 G 8.85 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 0.00 0.00 0.00 29 Q 7.02 4.22 0.00 1.73 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.65 0.00 0.00 0.00 0.00 0.00 1.76 2.07 0.00 30 L 8.15 5.15 0.00 1.58 1.61 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 C 9.01 4.31 0.00 3.21 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 32 E 7.69 2.54 0.00 1.77 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 33 N 7.91 4.75 0.00 2.96 2.98 0.00 0.00 6.64 7.78 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 34 C 7.76 4.46 0.00 3.37 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.65 4.70 0.00 3.20 3.24 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 37 W 7.93 4.16 0.00 3.57 3.14 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 38 G 9.42 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 39 E 6.57 4.70 0.00 1.91 1.88 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 1.98 2.07 0.00 40 A 8.69 4.59 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.84 4.16 2.14 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 0.86 0.00 0.00 0.89 0.00 0.00 42 Q 8.56 4.57 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.04 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 43 D 10.18 4.44 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 3.88 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 0.00 45 W 8.03 5.33 0.00 3.63 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 46 G 9.65 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 47 R 7.73 4.89 0.00 1.52 1.67 0.00 3.02 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 48 C 8.42 5.25 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 10.63 4.00 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 1.23 0.00 0.00 50 H 7.88 3.86 0.00 2.43 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.22 0.00 1.99 2.08 0.00 2.90 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 1.82 2.03 0.00 52 D 8.31 4.36 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 4.93 0.00 3.09 2.94 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 54 D 8.31 4.62 0.00 2.77 2.82 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 0.00 0.00 0.00 55 E 8.11 4.66 0.00 1.92 1.92 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 2.18 2.27 0.00 56 V 7.37 4.69 1.94 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 0.43 0.00 0.00 0.85 0.00 0.00 57 L 8.83 4.80 0.00 1.47 1.65 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.94 4.97 2.26 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 0.49 0.00 0.00 1.09 0.00 0.00 59 K 9.08 4.49 0.00 1.67 1.65 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.03 1.12 7.81 60 A 9.11 3.48 1.13 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 0.00 0.00 61 E 7.98 4.20 0.00 1.98 1.88 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 2.25 2.23 0.00 62 G 8.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 8.85 5.54 0.00 3.24 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.51 5.06 0.00 3.19 3.25 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 65 S 8.23 3.55 0.00 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.06 4.08 1.89 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 0.43 0.00 0.00 0.56 0.00 0.00 67 Y 7.33 3.94 0.00 2.59 2.71 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 68 A 7.41 4.66 1.10 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 0.00 0.00 69 P 0.00 4.42 0.00 2.06 2.12 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 70 A 8.43 4.11 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 71 S 8.38 4.28 0.00 3.94 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