NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5036 8.1476 120.5961 54.1193 33.7042 174.2709 2 Y 4.5749 7.1188 116.1736 54.8532 41.2736 171.6468 3 K 4.6635 8.9593 119.5727 56.8154 36.6853 174.7347 4 F 5.7274 8.9303 118.9820 55.7363 40.0872 175.9200 5 E 4.5736 9.0043 124.7909 55.3090 30.8537 175.4784 6 I 5.0457 8.5816 126.8645 60.0934 38.3797 174.7474 7 Y 5.0851 8.3648 124.9593 55.1834 42.0581 174.1151 8 Q 4.5850 8.3827 117.0508 54.0117 30.8156 175.1071 9 D 4.7376 8.5226 120.8076 53.1560 42.1543 176.9527 10 K 3.7160 8.7699 121.4443 60.1807 32.1424 177.6685 11 A 4.1349 8.2827 118.9878 52.1716 17.9287 177.4719 12 G 3.7985 8.1317 104.4893 46.8435 0.0000 174.7499 13 E 4.3711 7.7505 120.7420 54.3308 28.8050 174.5048 14 Y 4.3076 8.3762 121.5812 58.6994 39.1742 175.9320 15 R 4.9307 8.8269 121.9292 55.2705 35.8957 173.6757 16 F 5.4475 8.4146 114.5626 55.5569 41.5519 174.0939 17 R 4.5917 9.1322 118.1224 54.4844 32.8073 174.3638 18 F 5.2608 7.9294 120.9607 56.5456 42.8121 174.5803 19 K 4.7556 7.5703 123.9676 54.9676 34.5398 174.9643 20 A 4.2904 8.0711 120.9148 49.8998 22.2512 177.6773 21 S 4.4464 9.2753 113.2752 60.6889 62.9478 175.0309 22 N 4.6310 8.2077 116.5570 52.1764 37.3922 174.9293 23 G 3.8982 8.1339 105.0926 47.0511 0.0000 174.3335 24 E 4.6535 7.4349 116.2670 54.4345 33.8977 175.8114 25 T 4.5154 8.3616 119.6509 63.5252 69.2956 174.4117 26 M 4.7113 8.4015 121.2745 55.2361 33.3310 175.3387 27 F 5.0929 7.6632 112.8355 55.6769 41.5933 173.0101 28 S 4.7160 8.7004 113.7210 56.5845 65.3340 173.2784 29 S 4.8135 8.0094 120.9587 56.7950 64.8600 173.8287 30 E 4.0293 8.7412 117.6583 56.8810 29.5264 179.0292 31 G 4.5701 8.1608 105.0696 45.8498 0.0000 173.0312 32 Y 4.4461 9.3608 123.1723 57.0315 38.9674 168.2594 33 K 4.3974 7.7518 119.1987 56.6625 39.7013 174.3037 34 A 4.4237 7.3383 119.1326 49.9208 22.3716 176.1209 35 K 3.9179 8.0958 116.1272 59.9227 32.2328 179.1643 36 A 3.9872 7.8710 120.5292 55.5203 18.2740 179.6459 37 S 4.2701 8.0475 112.7503 61.2513 63.0099 176.6361 38 A 4.1958 8.0775 123.7450 55.3081 18.1834 179.5853 39 I 3.4460 7.8150 118.1875 64.9484 37.0023 178.3177 40 H 4.2768 8.2022 116.5495 58.0771 28.8630 177.4291 41 A 3.9100 7.9427 122.3279 55.3588 18.3673 179.8085 42 I 2.8899 7.0813 117.9202 64.1076 36.3710 178.5458 43 E 3.8087 7.9794 119.8143 59.3703 28.6848 179.2511 44 S 4.0741 7.7812 114.9565 61.8089 62.7099 177.0013 45 I 3.7049 7.3655 122.2159 64.2275 36.6276 178.6323 46 K 4.0435 7.3875 117.2133 59.0928 31.7935 179.3724 47 R 4.1071 7.3695 117.4219 57.8720 30.3277 177.8220 48 N 4.6634 7.3511 112.0927 54.5437 40.8311 176.0674 49 S 4.0500 8.0557 114.9682 60.8312 62.5717 176.2646 50 A 4.1056 8.1767 122.1531 54.1686 18.2195 177.8981 51 G 3.9325 7.8469 102.5076 45.2812 0.0000 174.1167 52 A 4.0939 7.3345 122.7767 51.9615 18.9332 177.0083 53 D 4.4916 8.3598 119.6330 54.2767 42.0021 176.4354 54 T 4.3607 8.1841 119.7344 61.7982 69.3043 173.3376 55 V 4.0574 8.1277 126.1080 61.0052 32.7235 174.6676 56 D 4.7216 8.4762 127.1325 52.6666 41.6190 175.7671 57 L 4.1346 8.3694 128.0177 57.7058 42.0259 178.5448 58 T 4.3263 7.8786 110.5486 62.4440 67.3470 175.1321 59 T 4.1140 7.8735 111.4299 64.6348 69.1345 174.7298 60 M 4.7075 7.5490 120.5248 52.6380 32.2442 174.7756 61 T 3.9572 8.0227 117.3002 63.5336 69.7312 174.4135 62 A 4.2976 8.3289 126.1101 52.4223 19.3287 176.0264 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 M 8.15 4.50 0.00 1.72 1.74 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.53 0.00 2 Y 7.12 4.57 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.96 4.66 0.00 2.01 2.07 0.00 1.42 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.55 7.81 4 F 8.93 5.73 0.00 3.00 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 5 E 9.00 4.57 0.00 2.09 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 2.42 2.40 0.00 6 I 8.58 5.05 1.99 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 1.50 0.67 1.09 0.00 0.00 7 Y 8.36 5.09 0.00 2.97 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 8 Q 8.38 4.59 0.00 1.30 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.14 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 9 D 8.52 4.74 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 3.72 0.00 1.88 1.96 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.54 7.81 11 A 8.28 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 0.00 0.00 0.00 13 E 7.75 4.37 0.00 2.03 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 2.37 2.33 0.00 14 Y 8.38 4.31 0.00 2.99 2.96 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 15 R 8.83 4.93 0.00 0.91 1.45 0.00 3.01 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 16 F 8.41 5.45 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 17 R 9.13 4.59 0.00 1.96 2.20 0.00 2.95 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 18 F 7.93 5.26 0.00 2.77 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.57 4.76 0.00 1.50 1.62 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.48 7.81 20 A 8.07 4.29 1.08 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 0.00 0.00 21 S 9.28 4.45 0.00 4.07 4.29 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 22 N 8.21 4.63 0.00 2.84 2.93 0.00 0.00 5.96 6.96 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 23 G 8.13 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 0.00 0.00 0.00 24 E 7.43 4.65 0.00 1.88 1.73 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 2.43 2.22 0.00 25 T 8.36 4.52 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 1.21 0.00 0.00 26 M 8.40 4.71 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 27 F 7.66 5.09 0.00 3.05 3.12 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 0.00 0.00 0.00 0.00 28 S 8.70 4.72 0.00 3.87 3.75 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 0.00 0.00 0.00 0.00 29 S 8.01 4.81 0.00 3.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 4.03 0.00 2.10 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 0.00 2.40 2.32 0.00 31 G 8.16 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.36 4.45 0.00 3.14 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 33 K 7.75 4.40 0.00 1.44 1.61 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.36 7.81 34 A 7.34 4.42 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.10 3.92 0.00 1.39 1.60 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.60 7.81 36 A 7.87 3.99 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.05 4.27 0.00 4.21 4.25 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 38 A 8.08 4.20 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.45 1.85 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 1.50 0.42 0.90 0.00 0.00 40 H 8.20 4.28 0.00 3.23 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.94 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.08 2.89 1.46 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.36 -0.07 0.00 0.00 43 E 7.98 3.81 0.00 2.07 1.86 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 2.18 2.35 0.00 44 S 7.78 4.07 0.00 3.99 3.83 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 45 I 7.37 3.70 1.65 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.99 0.00 0.00 46 K 7.39 4.04 0.00 1.77 1.84 0.00 1.62 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.53 7.81 47 R 7.37 4.11 0.00 1.85 1.94 0.00 3.32 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 48 N 7.35 4.66 0.00 2.65 2.66 0.00 0.00 6.66 7.64 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 49 S 8.06 4.05 0.00 3.83 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 50 A 8.18 4.11 1.35 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 0.00 0.00 51 G 7.85 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 52 A 7.33 4.09 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 53 D 8.36 4.49 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.36 4.24 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 1.20 0.00 0.00 55 V 8.13 4.06 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 0.73 0.00 0.00 0.95 0.00 0.00 56 D 8.48 4.72 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.37 4.13 0.00 1.79 1.69 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.88 4.33 4.24 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 1.23 0.00 0.00 59 T 7.87 4.11 4.24 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 1.28 0.00 0.00 60 M 7.55 4.71 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 61 T 8.02 3.96 4.24 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 1.21 0.00 0.00 62 A 8.33 4.30 1.19 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