NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3614 8.3349 115.4068 57.9330 62.8641 171.6527 1 I 3.8340 7.8011 128.9278 60.0446 37.9157 173.4448 2 T 4.7682 9.1513 117.9476 59.9268 72.1931 173.9447 3 C 4.6914 8.7254 120.5072 55.3949 41.6326 172.0729 4 P 4.6284 0.0000 0.0000 61.0915 32.2833 174.0359 5 P 4.5444 0.0000 0.0000 62.3551 31.6043 174.9217 6 P 4.5022 0.0000 0.0000 62.1241 32.0709 176.1763 7 M 4.2548 8.4907 117.7550 55.3185 31.6810 176.2700 8 S 4.5000 8.3390 114.5223 58.0006 64.5428 173.4574 9 V 4.1115 7.8340 120.5483 60.3230 33.4260 174.6092 10 E 3.8317 8.5555 127.5116 58.1597 29.8623 175.9167 11 H 3.8086 8.8010 120.5643 56.3265 26.0154 173.5468 12 A 5.1051 7.5831 119.1509 50.8548 22.7334 175.2251 13 D 4.8928 8.9342 117.3759 53.3351 45.5084 173.7184 14 I 4.6509 8.0986 120.6085 59.2060 41.1329 173.5858 15 W 4.5456 8.5853 135.0000 55.3496 32.3985 174.7043 16 V 3.5537 7.2249 126.1082 61.5007 31.2421 175.7175 17 K 3.9837 8.9004 128.4461 58.6854 32.2590 177.7354 18 S 4.6103 8.0833 111.0569 56.8922 65.4419 173.0122 19 Y 4.5862 8.4933 122.3848 57.8339 38.8846 176.0809 20 S 4.3482 7.7139 116.8967 58.0109 63.5578 173.6648 21 L 3.6534 7.3606 123.8546 56.7944 42.0153 177.2931 22 Y 3.8689 8.3170 121.4507 58.1175 36.6900 169.8390 23 S 4.2568 7.6587 116.0462 58.9092 63.5326 172.9942 24 R 5.1493 8.5703 125.0869 55.0295 31.9449 175.1485 25 E 4.7917 9.2547 121.6252 55.3837 34.9739 174.0738 26 R 5.1137 7.9686 118.0210 55.0528 34.0219 175.1800 27 Y 4.3667 8.6980 121.5219 57.9264 39.1492 175.1339 28 I 4.6551 8.6909 123.5741 59.3305 40.4769 174.6473 29 C 4.8159 9.0407 124.2761 57.2609 41.7850 173.4530 30 N 4.7550 9.5339 120.1478 52.6789 39.7835 174.5679 31 S 4.1930 8.6729 114.7728 60.3007 62.7869 174.8347 32 G 3.7958 9.0251 114.0518 45.3415 0.0000 172.4764 33 F 5.2875 8.1450 117.3106 55.4901 42.4873 174.8883 34 K 4.7376 9.3331 119.7374 54.1468 36.3794 175.7661 35 R 4.2534 8.9280 123.5968 56.8833 30.6092 175.9115 36 K 4.1338 9.4480 128.4514 56.2396 33.2414 176.1330 37 A 4.2744 8.6247 130.3632 53.9019 18.8051 177.6948 38 G 4.0080 9.0898 110.4360 45.1653 0.0000 173.4610 39 T 4.5902 7.4691 109.0946 59.8595 71.0897 173.6293 40 S 4.9287 8.7694 118.2283 56.7299 65.0772 174.3701 41 S 4.6777 8.7409 119.7353 58.5050 64.4268 173.4286 42 L 4.5963 7.7033 124.4836 55.9076 42.2937 175.9961 43 T 5.0099 9.2381 120.4339 60.5407 71.3193 172.2208 44 E 5.3364 9.1466 124.6637 54.8490 34.6870 173.8595 45 C 4.1021 8.7663 124.0275 55.8985 44.0188 172.7892 46 V 4.7629 8.5081 119.6061 59.3389 35.7462 174.6292 47 L 4.7475 8.2650 124.3558 53.2355 43.3736 176.1586 48 N 4.4200 8.8827 126.1143 53.6843 39.3580 175.4358 49 K 4.0159 8.6473 128.2021 58.9510 32.3407 178.7426 50 A 4.1591 7.9472 120.4468 54.3250 18.3353 178.1114 51 T 4.2137 7.7922 112.7381 62.8786 70.4908 175.0735 52 N 4.2806 8.3360 116.3825 53.6754 37.7353 173.1276 53 V 4.4951 7.3639 115.6759 61.3229 34.4506 174.0108 54 A 5.3679 8.3647 126.8323 50.7565 21.2567 175.5466 55 H 4.8733 8.7128 115.0625 53.9149 32.7521 172.3188 56 W 5.0417 8.7571 119.6767 56.0397 29.8233 176.7321 57 T 4.2146 8.7964 115.6912 61.8546 69.1941 174.4421 58 T 4.0536 8.5327 121.2707 62.8513 68.8396 172.9464 59 P 4.5686 0.0000 0.0000 62.4647 32.1591 176.5353 60 S 4.3462 8.5389 113.4916 59.4708 63.7846 173.8858 61 L 3.8204 7.4084 122.6249 55.3687 42.5056 176.1211 62 K 4.5514 8.6850 126.2866 54.8004 35.2601 174.9608 63 C 5.3094 8.8934 125.3598 55.8638 37.2347 173.0267 64 I 4.8828 8.8406 117.9375 58.5253 40.6160 175.2254 65 R 3.7618 8.7665 121.8263 56.7277 30.8139 175.6703 66 D 4.2502 8.7758 123.5393 54.1569 41.6968 175.1618 67 P 4.1419 0.0000 0.0000 65.5192 31.0177 178.4114 68 A 4.1042 7.8766 118.9512 55.2313 18.3808 179.3640 69 L 4.0475 7.7235 116.2920 57.5131 41.7674 179.2624 70 V 3.6328 7.5900 117.1021 66.2820 31.4579 175.3343 71 H 4.4640 7.2958 117.2282 56.0683 28.6007 175.0389 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 0 S 8.33 4.36 0.00 3.96 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 1 I 7.80 3.83 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.14 0.78 0.00 0.00 2 T 9.15 4.77 4.33 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 1.19 0.00 0.00 3 C 8.73 4.69 0.00 2.60 2.78 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 4 P 0.00 4.63 0.00 2.29 2.14 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 5 P 0.00 4.54 0.00 2.12 2.10 0.00 3.73 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 2.05 2.09 0.00 6 P 0.00 4.50 0.00 1.94 1.18 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.00 7 M 8.49 4.25 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 8 S 8.34 4.50 0.00 3.99 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 9 V 7.83 4.11 1.52 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 0.73 0.00 0.00 -0.08 0.00 0.00 10 E 8.56 3.83 0.00 1.77 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.15 0.00 11 H 8.80 3.81 0.00 2.61 1.38 0.00 5.63 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 12 A 7.58 5.11 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 13 D 8.93 4.89 0.00 2.77 2.49 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 14 I 8.10 4.65 0.97 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 0.69 0.52 0.55 0.00 0.00 15 W 8.59 4.55 0.00 3.30 2.86 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 16 V 7.22 3.55 1.16 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 -0.26 0.00 0.00 0.06 0.00 0.00 17 K 8.90 3.98 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.40 7.81 18 S 8.08 4.61 0.00 3.76 3.64 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 0.00 0.00 0.00 0.00 19 Y 8.49 4.59 0.00 3.11 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 20 S 7.71 4.35 0.00 3.89 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 21 L 7.36 3.65 0.00 1.42 1.07 0.45 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.32 3.87 0.00 3.16 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 23 S 7.66 4.26 0.00 3.93 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 24 R 8.57 5.15 0.00 1.77 1.88 0.00 3.25 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 25 E 9.25 4.79 0.00 1.52 1.52 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 2.35 2.01 0.00 26 R 7.97 5.11 0.00 1.61 1.78 0.00 3.22 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 27 Y 8.70 4.37 0.00 2.89 2.89 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 28 I 8.69 4.66 1.91 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 1.26 0.90 0.95 0.00 0.00 29 C 9.04 4.82 0.00 2.95 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 30 N 9.53 4.75 0.00 2.86 2.90 0.00 0.00 6.64 8.14 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 31 S 8.67 4.19 0.00 3.86 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 32 G 9.03 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 33 F 8.15 5.29 0.00 3.06 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 34 K 9.33 4.74 0.00 1.60 1.67 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.50 7.81 35 R 8.93 4.25 0.00 1.86 1.91 0.00 3.48 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 36 K 9.45 4.13 0.00 1.86 1.77 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.42 7.81 37 A 8.62 4.27 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 38 G 9.09 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.47 4.59 4.32 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 1.22 0.00 0.00 40 S 8.77 4.93 0.00 3.89 3.73 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 41 S 8.74 4.68 0.00 4.26 4.14 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 42 L 7.70 4.60 0.00 1.66 1.68 0.98 1.06 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 43 T 9.24 5.01 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 1.04 0.00 0.00 44 E 9.15 5.34 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 45 C 8.77 4.10 0.00 1.23 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 4.76 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 0.70 0.00 0.00 0.75 0.00 0.00 47 L 8.27 4.75 0.00 1.58 1.57 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.88 4.42 0.00 2.88 2.73 0.00 0.00 6.83 6.38 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 49 K 8.65 4.02 0.00 1.76 1.87 0.00 1.74 0.00 0.00 1.94 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.58 7.81 50 A 7.95 4.16 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 51 T 7.79 4.21 4.32 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 1.21 0.00 0.00 52 N 8.34 4.28 0.00 2.85 2.92 0.00 0.00 6.76 7.71 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 53 V 7.36 4.50 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 0.92 0.00 0.00 0.92 0.00 0.00 54 A 8.36 5.37 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.71 4.87 0.00 3.20 3.35 0.00 5.26 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.76 5.04 0.00 3.32 3.28 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 57 T 8.80 4.21 4.33 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 1.33 0.00 0.00 58 T 8.53 4.05 4.27 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 1.19 0.00 0.00 59 P 0.00 4.57 0.00 2.27 2.28 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 60 S 8.54 4.35 0.00 3.90 4.03 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 61 L 7.41 3.82 0.00 1.88 1.56 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.69 4.55 0.00 1.86 1.60 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.51 7.81 63 C 8.89 5.31 0.00 2.80 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.84 4.88 1.93 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 1.41 0.91 0.96 0.00 0.00 65 R 8.77 3.76 0.00 1.63 1.77 0.00 3.01 0.00 0.00 2.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 66 D 8.78 4.25 0.00 2.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.14 0.00 2.20 2.11 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 68 A 7.88 4.10 1.34 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 69 L 7.72 4.05 0.00 1.54 1.66 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.59 3.63 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 0.74 0.00 0.00 0.83 0.00 0.00 71 H 7.30 4.46 0.00 3.23 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00