NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.4199 8.4249 119.1914 53.6261 40.0486 173.5240 2 S 3.3866 7.8607 115.1576 58.2369 59.8740 169.7393 3 S 4.7330 9.2460 121.1047 56.3858 66.6558 171.3341 4 K 5.0879 8.7069 120.1526 55.4759 33.6705 175.5018 5 C 4.8502 9.1904 125.8436 57.8035 33.9010 172.3103 6 Y 5.1204 8.9273 123.7601 57.4093 39.6955 174.6354 7 I 5.1301 8.9100 121.9129 60.0259 42.3096 174.1617 8 Q 4.9917 9.3546 122.6968 54.2648 33.1736 174.8858 9 V 4.8442 8.1433 114.3494 59.5182 35.3705 176.1587 10 T 4.3383 8.6922 118.1873 58.1051 66.7449 174.6918 11 G 4.2656 8.1564 127.0554 46.7984 0.0000 172.1554 12 M 4.0505 7.6098 121.0657 58.4085 30.8720 178.0461 13 T 3.9821 7.9907 107.7769 64.1564 69.1970 173.7735 14 C 4.2898 8.8835 121.9400 64.8118 29.1370 178.5990 15 A 3.2115 8.1113 118.8945 52.1318 20.2037 179.0532 16 S 4.1074 8.9823 122.6080 60.7297 63.5055 175.5271 17 C 3.7293 8.3439 119.7781 62.8452 27.8428 176.3952 18 V 3.4712 7.8592 119.1732 65.9866 31.2601 177.7556 19 A 4.2056 7.9172 121.3270 54.4747 18.0500 178.8873 20 N 4.1540 8.5474 115.7347 56.9155 39.0698 176.8734 21 I 3.6347 7.7695 121.2854 65.0822 37.0736 177.4712 22 E 3.8135 8.7205 118.5870 59.9138 29.1268 179.4520 23 R 3.9657 8.0575 116.6613 59.7600 30.2111 178.5944 24 N 4.2905 8.0240 114.3623 56.5734 38.8728 177.0503 25 L 3.7609 8.1161 120.3136 57.7061 41.4954 179.3385 26 R 3.8137 8.0090 117.7226 59.8858 29.9862 178.5069 27 R 3.9601 7.4423 116.1280 57.8414 30.5735 177.2798 28 E 4.0133 7.6804 119.3993 55.9273 30.0776 176.5548 29 E 4.4316 8.8831 125.0846 53.3514 27.7869 175.5708 30 G 4.0308 7.6494 121.1327 45.4212 0.0000 170.3173 31 I 4.2513 7.3400 123.0957 61.2022 37.3508 175.3812 32 Y 4.2614 8.8610 123.9301 59.5793 38.8488 175.8658 33 S 4.8033 7.6302 112.6841 56.7295 66.1387 174.0017 34 I 4.5746 8.2371 119.7923 59.9108 39.1248 174.8714 35 L 4.6095 8.5222 122.4330 55.2590 41.4974 177.6928 36 V 4.1960 8.0802 119.8266 61.1786 32.8352 173.9555 37 A 4.5795 8.4440 134.3625 49.9576 19.6583 177.8754 38 L 3.9204 8.8599 124.6523 60.8535 42.4312 179.8093 39 M 3.6029 7.1927 115.8158 57.8961 32.0378 177.3764 40 A 4.4907 7.7858 117.0305 51.1137 20.7625 175.1489 41 G 3.6188 8.4132 103.3021 45.8264 0.0000 171.8012 42 K 4.9166 8.4476 118.1134 54.9801 38.1035 176.7937 43 A 4.6637 8.9280 121.4749 50.6489 22.9716 175.4080 44 E 4.7647 8.5795 121.4224 54.4703 32.3693 173.9075 45 V 4.5019 8.5515 127.4323 60.1620 33.9760 175.2554 46 R 4.9447 8.9129 125.7349 56.0477 30.8647 174.6164 47 Y 5.3163 9.4994 124.6612 55.3638 41.9978 174.2117 48 N 4.8158 8.2695 117.8893 50.7334 39.1194 172.4139 49 P 4.6391 0.0000 0.0000 61.7612 29.4519 175.3122 50 A 4.4614 7.5000 125.9856 54.5747 21.3683 178.1446 51 V 3.7412 7.5243 114.3050 65.8112 32.3334 177.5353 52 I 3.7187 7.6461 119.3428 64.0368 38.4544 173.0430 53 Q 4.0837 8.2880 125.4823 55.1931 28.7375 172.2697 54 P 4.2834 0.0000 0.0000 65.7896 31.0321 176.6740 55 P 4.2845 0.0000 0.0000 65.9722 30.9017 178.2289 56 M 4.2237 8.1927 118.3016 57.9538 31.6827 178.5342 57 I 3.7586 7.9517 119.4110 64.4679 37.3359 177.8207 58 A 4.0287 8.0046 121.1815 55.3806 18.1771 179.0825 59 E 3.8935 8.5873 117.3619 59.9757 29.4115 179.3034 60 F 3.6673 8.3501 119.1218 61.6567 39.4522 177.2357 61 I 3.9959 7.7092 118.9838 64.6227 37.0653 178.6208 62 R 4.3198 8.1530 120.0726 58.4538 29.5465 178.6301 63 E 3.9922 8.0934 118.4285 59.0841 28.9137 177.9892 64 L 4.3923 7.7899 117.6354 55.8607 40.6869 178.0986 65 G 3.8664 8.5667 106.2438 46.4982 0.0000 174.1439 66 F 4.0414 7.8448 120.1051 56.6227 39.7682 175.7033 67 G 4.2886 8.3312 112.7028 44.9659 0.0000 171.7102 68 A 4.9372 8.1403 127.0854 51.9796 20.1868 176.5779 69 T 4.7841 9.1368 115.6279 60.1794 71.1223 172.9630 70 V 4.8241 8.4789 126.7427 60.1587 34.4438 175.6102 71 I 4.4910 9.0013 123.9510 59.0479 39.2120 173.1499 72 E 3.9704 8.5121 127.1641 56.4285 29.8040 175.7625 73 N 4.4032 8.3792 125.4660 53.6923 39.0291 175.0452 74 I 4.0099 6.8536 114.9943 60.5580 40.5531 174.0459 75 E 4.1664 9.1090 123.2114 56.2937 29.5626 176.5345 76 G 4.7691 6.7188 114.9868 46.6022 0.0000 173.0335 77 R 4.1620 8.2108 123.9327 56.5567 31.1477 175.0526 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 N 8.42 4.42 0.00 2.68 2.73 0.00 0.00 7.53 7.00 0.00 0.00 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 S 7.86 3.39 0.00 3.83 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.25 4.73 0.00 3.86 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 4 K 8.71 5.09 0.00 1.92 1.99 0.00 1.81 0.00 0.00 2.13 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.53 7.81 5 C 9.19 4.85 0.00 1.42 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 0.00 0.00 0.00 6 Y 8.93 5.12 0.00 3.00 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 7 I 8.91 5.13 1.87 0.00 0.00 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 1.19 0.78 0.96 0.00 0.00 8 Q 9.35 4.99 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 9 V 8.14 4.84 2.35 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 1.04 0.00 0.00 1.09 0.00 0.00 10 T 8.69 4.34 4.13 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 1.21 0.00 0.00 11 G 8.16 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 0.00 0.00 0.00 0.00 12 M 7.61 4.05 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 13 T 7.99 3.98 4.26 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 1.22 0.00 0.00 14 C 8.88 4.29 0.00 3.31 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 15 A 8.11 3.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.98 4.11 0.00 3.85 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 17 C 8.34 3.73 0.00 2.98 2.24 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 18 V 7.86 3.47 2.19 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 0.99 0.00 0.00 0.95 0.00 0.00 19 A 7.92 4.21 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 20 N 8.55 4.15 0.00 2.72 2.89 0.00 0.00 7.03 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 21 I 7.77 3.63 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.32 0.90 0.00 0.00 22 E 8.72 3.81 0.00 2.14 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 2.46 2.53 0.00 23 R 8.06 3.97 0.00 2.00 1.98 0.00 3.28 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 24 N 8.02 4.29 0.00 2.87 3.04 0.00 0.00 7.20 8.90 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 25 L 8.12 3.76 0.00 1.87 1.62 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.01 3.81 0.00 1.91 1.95 0.00 3.39 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 27 R 7.44 3.96 0.00 1.81 1.93 0.00 3.21 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 28 E 7.68 4.01 0.00 1.81 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 29 E 8.88 4.43 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 30 G 7.65 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 0.00 0.00 0.00 31 I 7.34 4.25 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 1.01 0.00 0.00 32 Y 8.86 4.26 0.00 2.94 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 33 S 7.63 4.80 0.00 3.92 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 34 I 8.24 4.57 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.91 0.00 0.00 35 L 8.52 4.61 0.00 1.61 1.67 0.90 0.64 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 36 V 8.08 4.20 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 0.54 0.00 0.00 0.91 0.00 0.00 37 A 8.44 4.58 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.86 3.92 0.00 1.68 1.70 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 M 7.19 3.60 0.00 2.04 2.05 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 2.60 2.65 0.00 40 A 7.79 4.49 1.24 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 0.00 0.00 41 G 8.41 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.92 0.00 1.55 1.53 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 43 A 8.93 4.66 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.58 4.76 0.00 1.46 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 45 V 8.55 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 0.72 0.00 0.00 1.02 0.00 0.00 46 R 8.91 4.94 0.00 2.01 2.07 0.00 2.97 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 47 Y 9.50 5.32 0.00 3.04 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 48 N 8.27 4.82 0.00 3.08 2.84 0.00 0.00 7.21 7.57 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 49 P 0.00 4.64 0.00 2.25 2.23 0.00 3.42 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 50 A 7.50 4.46 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 51 V 7.52 3.74 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 0.86 0.00 0.00 0.94 0.00 0.00 52 I 7.65 3.72 2.08 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 1.50 1.12 1.08 0.00 0.00 53 Q 8.29 4.08 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.64 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 54 P 0.00 4.28 0.00 2.25 2.30 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.51 0.00 55 P 0.00 4.28 0.00 2.31 2.39 0.00 3.66 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 2.12 2.10 0.00 56 M 8.19 4.22 0.00 2.23 2.54 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 57 I 7.95 3.76 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.90 0.00 0.00 58 A 8.00 4.03 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 59 E 8.59 3.89 0.00 2.19 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 2.52 2.52 0.00 60 F 8.35 3.67 0.00 3.35 3.15 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 0.00 0.00 0.00 0.00 61 I 7.71 4.00 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 1.03 0.00 0.00 62 R 8.15 4.32 0.00 2.03 2.02 0.00 3.19 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 63 E 8.09 3.99 0.00 2.03 1.96 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 2.42 2.15 0.00 64 L 7.79 4.39 0.00 1.75 1.85 0.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.57 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.84 4.04 0.00 3.56 2.97 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 67 G 8.33 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 0.00 0.00 0.00 68 A 8.14 4.94 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 69 T 9.14 4.78 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 1.27 0.00 0.00 70 V 8.48 4.82 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 0.80 0.00 0.00 0.87 0.00 0.00 71 I 9.00 4.49 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.86 0.00 0.00 72 E 8.51 3.97 0.00 1.92 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 2.38 2.41 0.00 73 N 8.38 4.40 0.00 2.94 2.74 0.00 0.00 7.18 7.11 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 74 I 6.85 4.01 1.87 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 1.31 1.12 0.92 0.00 0.00 75 E 9.11 4.17 0.00 1.98 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 0.00 2.27 2.30 0.00 76 G 6.72 4.77 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 0.00 0.00 0.00 77 R 8.21 4.16 0.00 1.76 1.77 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00