NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4509 8.1933 115.4104 58.3222 64.9582 175.5472 6 K 3.7487 8.0109 118.1924 57.3943 32.1331 175.7185 7 M 4.5954 7.0163 118.4486 52.1084 33.0987 172.9256 8 P 4.5285 0.0000 0.0000 62.1958 32.7692 175.8035 9 Q 4.7158 8.2207 118.1818 54.2438 31.8881 174.5856 10 V 4.4685 7.9435 120.4403 60.1168 34.3796 173.8804 11 N 4.7952 8.6581 120.3010 51.5845 40.0606 174.3204 12 L 4.5715 8.0804 122.4298 52.7185 44.1597 176.1479 13 R 4.4863 8.4828 121.0929 54.5250 31.2748 174.6346 14 W 5.2058 8.4097 124.2031 53.5470 32.9361 174.5208 15 P 4.4508 0.0000 0.0000 62.4768 32.4459 178.1157 16 R 4.0393 8.7140 119.0168 59.4920 29.2598 179.0136 17 E 3.9598 8.1487 118.8994 59.3572 29.5181 179.2907 18 V 3.6310 7.7081 117.7863 65.8608 31.5900 177.9711 19 L 4.2273 8.1050 118.8566 57.8566 41.5683 179.1105 20 D 4.3699 8.5962 119.4184 57.1466 40.6933 178.6825 21 L 3.9566 7.7278 120.5270 58.1516 42.1293 179.2383 22 V 3.6313 7.9076 118.2894 65.9513 31.4878 177.8536 23 R 3.9204 8.3176 118.7778 59.2187 29.7387 178.3769 24 K 3.9202 7.9670 118.9607 59.8365 32.3279 179.3454 25 V 3.7025 7.8707 112.0677 63.7539 31.3230 178.6111 26 A 4.1410 8.3504 121.5084 55.2358 18.1956 179.3896 27 E 3.8863 8.2998 117.1420 59.6136 29.3078 179.4097 28 E 3.9980 7.7045 117.4605 59.4929 29.6516 178.4371 29 N 4.7611 7.9719 113.0432 52.1136 39.1545 175.2343 30 G 3.9973 8.1649 108.4516 47.0614 0.0000 173.2899 31 R 4.6995 8.4127 115.9025 53.2967 34.2679 176.3744 32 S 4.5425 8.1661 114.3407 57.4482 65.5320 175.4120 33 V 3.5425 8.1393 121.0216 66.2082 31.2647 177.1574 34 N 4.1834 8.2049 116.2672 56.9666 38.5629 176.5306 35 S 4.1099 8.0871 114.2558 61.2783 62.5173 175.6465 36 E 3.9555 8.4337 122.2127 59.4417 29.3361 178.8624 37 I 3.7744 8.0623 120.0253 64.4538 37.0740 177.7216 38 Y 4.1403 8.0728 120.3559 60.9864 38.6474 178.2912 39 Q 3.8853 8.4790 119.0766 59.0030 28.7917 179.0594 40 R 3.8832 8.0133 119.1559 59.1675 30.1921 179.3110 41 V 3.3359 7.9571 118.2725 66.1528 31.6368 178.0266 42 M 4.0853 8.0633 118.8065 58.3579 31.6112 178.6505 43 E 3.9820 8.2664 119.1169 59.1744 29.6326 179.3650 44 S 4.0318 7.8773 114.4037 61.6652 62.8273 176.7336 45 F 4.5690 7.6729 120.9471 60.0883 38.5428 177.9096 46 K 4.2137 8.0380 117.9528 59.2365 31.6322 179.3858 47 K 3.9179 8.1223 118.0666 59.7335 32.2110 179.0666 48 E 4.1899 8.0699 116.4371 57.4548 29.3271 178.2575 49 G 3.9567 8.0089 106.9259 45.7929 0.0000 174.6919 50 R 4.1837 8.2602 119.5263 57.0886 30.5477 176.8355 51 I 4.5129 7.4790 117.6152 58.8493 40.1943 175.2287 52 G 3.6462 8.6533 113.4217 44.8451 0.0000 173.4733 53 A 4.1563 8.8036 127.4021 52.7269 18.2611 176.8727 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 5 S 8.19 4.45 0.00 4.01 4.18 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 6 K 8.01 3.75 0.00 1.84 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.46 7.81 7 M 7.02 4.60 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 8 P 0.00 4.53 0.00 2.17 2.09 0.00 3.70 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 1.99 1.95 0.00 9 Q 8.22 4.72 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 10 V 7.94 4.47 2.08 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 0.77 0.00 0.00 0.92 0.00 0.00 11 N 8.66 4.80 0.00 2.69 2.74 0.00 0.00 6.88 7.85 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 12 L 8.08 4.57 0.00 0.99 0.89 -0.27 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.48 4.49 0.00 1.74 1.90 0.00 3.24 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 14 W 8.41 5.21 0.00 3.25 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 15 P 0.00 4.45 0.00 2.13 1.96 0.00 3.51 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 16 R 8.71 4.04 0.00 2.06 2.23 0.00 2.99 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 17 E 8.15 3.96 0.00 2.06 2.03 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 2.39 2.43 0.00 18 V 7.71 3.63 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 0.79 0.00 0.00 0.79 0.00 0.00 19 L 8.10 4.23 0.00 1.98 1.78 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.60 4.37 0.00 2.88 2.74 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 21 L 7.73 3.96 0.00 1.75 1.90 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.91 3.63 2.21 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 1.06 0.00 0.00 1.19 0.00 0.00 23 R 8.32 3.92 0.00 2.02 2.16 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 24 K 7.97 3.92 0.00 2.10 1.97 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.71 7.81 25 V 7.87 3.70 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 0.75 0.00 0.00 1.10 0.00 0.00 26 A 8.35 4.14 1.48 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 0.00 0.00 27 E 8.30 3.89 0.00 2.17 2.02 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 2.34 2.58 0.00 28 E 7.70 4.00 0.00 2.04 2.03 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 2.35 2.37 0.00 29 N 7.97 4.76 0.00 2.73 2.85 0.00 0.00 7.11 7.69 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 30 G 8.16 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 31 R 8.41 4.70 0.00 1.74 1.84 0.00 3.43 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 32 S 8.17 4.54 0.00 4.03 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 V 8.14 3.54 2.07 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 1.08 0.00 0.00 0.95 0.00 0.00 34 N 8.20 4.18 0.00 2.82 2.78 0.00 0.00 6.79 7.74 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 35 S 8.09 4.11 0.00 3.95 4.11 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 36 E 8.43 3.96 0.00 2.24 2.13 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 2.35 2.45 0.00 37 I 8.06 3.77 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.94 0.00 0.00 38 Y 8.07 4.14 0.00 3.14 3.17 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 39 Q 8.48 3.89 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 40 R 8.01 3.88 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 41 V 7.96 3.34 1.99 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 0.83 0.00 0.00 0.95 0.00 0.00 42 M 8.06 4.09 0.00 1.86 1.96 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 1.51 1.98 0.00 43 E 8.27 3.98 0.00 2.06 1.95 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 2.46 2.43 0.00 44 S 7.88 4.03 0.00 3.88 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 45 F 7.67 4.57 0.00 3.25 3.02 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 46 K 8.04 4.21 0.00 2.03 1.87 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.61 7.81 47 K 8.12 3.92 0.00 1.89 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 48 E 8.07 4.19 0.00 2.20 2.08 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 2.38 2.62 0.00 49 G 8.01 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 0.00 0.00 0.00 50 R 8.26 4.18 0.00 1.97 1.84 0.00 3.40 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 I 7.48 4.51 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.93 0.00 0.00 52 G 8.65 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 53 A 8.80 4.16 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