NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4410 8.2893 120.3480 54.8269 34.2806 176.1612 2 L 4.3579 7.3105 112.5727 53.0157 41.2689 171.0951 3 K 4.3691 7.9120 124.1921 56.7684 36.3435 174.8821 4 N 4.3276 8.2421 116.7328 52.1725 41.7748 174.6978 5 L 3.8276 8.6145 121.4543 56.6201 40.6606 174.8179 6 A 3.5261 8.3355 125.7639 52.1714 15.1551 177.3704 7 K 3.9852 8.5913 121.9029 57.5320 32.7130 177.1913 8 L 5.3873 7.2231 130.4676 56.8376 41.4332 173.4293 9 D 4.5241 7.7542 123.9981 52.6104 43.1357 177.0976 10 Q 4.3807 7.5317 120.0944 57.3105 30.6507 175.7550 11 T 3.7913 7.8875 116.4369 66.6866 67.8480 175.5662 12 E 3.7448 7.9734 120.8667 58.9774 29.5865 178.5741 13 M 4.2253 8.5065 117.8068 58.2185 30.6613 177.7808 14 D 4.3108 7.7734 118.0105 56.1421 41.3814 178.4071 15 K 3.3594 7.3908 119.0506 58.6663 31.8443 179.1908 16 V 4.0881 8.7660 118.6819 64.3073 31.4229 177.4008 17 N 4.5563 7.5962 116.3145 56.4505 39.0275 176.7934 18 V 3.8914 8.0001 118.7722 65.1305 31.5131 177.3159 19 D 4.1342 8.7603 117.5277 57.5444 41.0234 177.3681 20 L 4.1994 7.9835 119.5448 57.6869 42.2641 176.7277 21 A 3.8001 8.2410 121.2050 53.1567 18.7381 177.1039 22 A 4.6906 7.6566 117.7864 49.6656 22.4228 176.2208 23 A 4.3166 8.5109 120.1866 51.6417 20.1432 177.2738 24 G 4.2412 8.3545 104.3551 46.4152 0.0000 174.0697 25 V 4.1440 7.2644 115.6982 62.4783 35.0303 176.4097 26 A 3.9495 8.1475 125.8253 55.5602 18.7372 178.9000 27 F 4.2083 8.1649 113.4376 58.5123 39.0928 175.5874 28 K 4.2294 8.3531 114.6023 56.5604 35.3088 174.7353 29 E 3.6159 8.9356 123.2896 57.6963 29.6720 177.4568 30 R 4.2383 8.0996 122.3755 56.4676 29.6006 176.5545 31 Y 4.6117 7.1794 113.0122 56.2690 38.9239 174.3451 32 N 4.0263 7.8363 115.7811 55.1390 36.4207 173.5950 33 M 3.8105 6.7280 116.4493 53.8173 32.7684 175.6265 34 P 4.4813 0.0000 0.0000 62.0352 33.4795 176.7685 35 V 3.9845 7.9390 116.5711 62.4153 29.5103 175.0888 36 I 4.6380 7.0701 119.3020 60.2452 41.8751 175.0885 37 A 4.5814 8.3905 124.0718 53.3027 20.5639 178.4712 38 E 4.0621 8.1974 115.3364 58.1106 30.0915 177.7542 39 A 4.4767 7.8342 120.3403 53.8121 20.1465 179.2879 40 V 4.5045 7.7576 117.1758 65.5380 31.2332 177.8237 41 E 4.1125 8.0232 116.9876 58.7758 29.8805 178.2941 42 R 3.9926 7.5509 116.7254 59.6037 30.1588 176.9129 43 E 4.2005 8.2524 118.2326 55.5769 29.5497 176.3182 44 Q 4.1273 7.2162 133.4861 54.6721 31.1939 172.4520 45 P 4.5201 0.0000 0.0000 62.0743 32.0768 176.7768 46 E 3.9221 9.0629 124.3087 59.6169 29.7464 178.0435 47 H 3.8818 8.2956 114.5452 59.1014 27.9956 176.6502 48 L 4.0964 6.7605 120.6526 57.4607 41.2344 179.7580 49 R 3.9914 9.2208 116.6219 59.0907 29.1495 178.5278 50 S 4.6055 8.0483 114.1121 59.4733 63.8172 176.3484 51 W 4.0117 9.8943 121.7642 58.7668 28.7925 177.3242 52 F 4.4948 8.7863 119.7500 59.3455 39.4649 176.6960 53 R 4.4166 8.0438 116.1171 56.2914 29.8350 177.7421 54 E 4.1187 8.1650 116.6996 60.1352 29.7401 178.8513 55 R 3.8711 7.5891 117.4805 59.2556 30.5993 176.1122 56 L 4.5027 9.0002 113.7065 53.9529 44.3290 172.9196 57 I 3.5234 7.9231 122.8385 63.4876 38.5726 173.1617 58 A 3.6303 8.3850 126.8802 52.5082 17.5908 173.8511 59 H 3.9304 8.5317 118.9741 52.6521 29.6475 176.3727 60 R 3.8878 8.1695 121.1801 55.9632 30.5972 174.7618 61 L 3.8481 8.8354 122.2140 54.5836 40.5802 172.9283 62 A 4.4790 8.2418 121.9193 51.2633 26.3000 174.5307 63 S 3.7259 8.2178 125.5444 58.2886 60.4008 171.3465 64 V 4.1785 8.3513 122.3187 63.9419 33.5515 175.7326 65 N 4.5639 8.1009 115.3155 55.3192 39.5382 175.2286 66 L 3.6928 7.7322 118.0057 57.4835 42.2901 173.7386 67 S 3.6482 8.1505 121.0628 57.9881 62.4733 171.5875 68 R 4.5286 7.8120 119.6673 55.0508 32.5490 172.8042 69 L 3.4349 8.3478 122.3641 54.6216 39.2411 172.8414 70 P 4.3183 0.0000 0.0000 61.6089 33.4040 176.1740 71 Y 4.8367 6.9537 113.2298 56.1501 38.2696 175.2623 72 E 4.1451 8.3335 117.4839 56.9949 30.3781 175.4411 73 P 4.2499 0.0000 0.0000 64.0987 31.8706 174.8381 74 K 3.6685 8.5378 123.2384 56.0697 33.1676 173.5565 75 L 3.3874 8.4379 122.6484 57.0341 39.3564 174.4444 76 K 4.1712 7.9305 121.2860 57.3975 34.0195 175.3744 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 8.29 4.44 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 L 7.31 4.36 0.00 1.80 1.60 0.92 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.91 4.37 0.00 1.68 1.66 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.41 7.81 4 N 8.24 4.33 0.00 2.68 2.64 0.00 0.00 6.91 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 5 L 8.61 3.83 0.00 1.72 1.70 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.34 3.53 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 7 K 8.59 3.99 0.00 1.71 1.81 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 8 L 7.22 5.39 0.00 1.82 1.71 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.75 4.52 0.00 2.58 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 10 Q 7.53 4.38 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 11 T 7.89 3.79 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 12 E 7.97 3.74 0.00 2.05 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 2.24 2.23 0.00 13 M 8.51 4.23 0.00 2.29 2.29 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 2.58 2.53 0.00 14 D 7.77 4.31 0.00 2.68 2.65 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 15 K 7.39 3.36 0.00 1.10 0.74 0.00 1.23 0.00 0.00 1.25 0.00 0.00 2.27 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.21 7.81 16 V 8.77 4.09 2.33 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 0.81 0.00 0.00 1.02 0.00 0.00 17 N 7.60 4.56 0.00 2.97 3.11 0.00 0.00 6.78 7.66 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 18 V 8.00 3.89 2.64 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 1.39 0.00 0.00 1.10 0.00 0.00 19 D 8.76 4.13 0.00 3.24 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 20 L 7.98 4.20 0.00 1.71 1.70 0.93 0.86 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 21 A 8.24 3.80 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 22 A 7.66 4.69 1.12 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 0.00 0.00 23 A 8.51 4.32 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 24 G 8.35 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 0.00 0.00 0.00 0.00 25 V 7.26 4.14 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 1.00 0.00 0.00 0.94 0.00 0.00 26 A 8.15 3.95 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 27 F 8.16 4.21 0.00 3.04 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 28 K 8.35 4.23 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.24 7.81 29 E 8.94 3.62 0.00 2.00 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 2.22 2.21 0.00 30 R 8.10 4.24 0.00 2.21 2.32 0.00 3.33 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 31 Y 7.18 4.61 0.00 3.11 3.06 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 0.00 0.00 0.00 32 N 7.84 4.03 0.00 2.81 2.84 0.00 0.00 7.14 7.60 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 33 M 6.73 3.81 0.00 1.13 1.87 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 34 P 0.00 4.48 0.00 2.20 2.13 0.00 3.80 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 2.02 1.98 0.00 35 V 7.94 3.98 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 0.80 0.00 0.00 0.91 0.00 0.00 36 I 7.07 4.64 1.89 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 1.35 0.60 0.98 0.00 0.00 37 A 8.39 4.58 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 38 E 8.20 4.06 0.00 2.02 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 2.38 2.31 0.00 39 A 7.83 4.48 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 40 V 7.76 4.50 2.29 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 1.13 0.00 0.00 1.04 0.00 0.00 41 E 8.02 4.11 0.00 1.99 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 0.00 2.32 2.39 0.00 42 R 7.55 3.99 0.00 1.87 2.01 0.00 3.24 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 43 E 8.25 4.20 0.00 1.16 1.12 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 2.14 2.37 0.00 44 Q 7.22 4.13 0.00 1.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 45 P 0.00 4.52 0.00 2.00 2.25 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 46 E 9.06 3.92 0.00 2.02 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 2.28 2.27 0.00 47 H 8.30 3.88 0.00 1.58 2.99 0.00 5.55 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 6.76 4.10 0.00 1.75 1.70 1.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.22 3.99 0.00 2.04 2.24 0.00 2.72 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 50 S 8.05 4.61 0.00 4.23 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 51 W 9.89 4.01 0.00 3.38 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 52 F 8.79 4.49 0.00 3.05 3.13 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 53 R 8.04 4.42 0.00 2.04 2.00 0.00 3.39 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 54 E 8.17 4.12 0.00 1.88 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 0.00 2.22 2.24 0.00 55 R 7.59 3.87 0.00 1.78 2.05 0.00 3.36 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 56 L 9.00 4.50 0.00 1.53 1.52 0.91 1.01 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 57 I 7.92 3.52 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.91 0.00 0.00 58 A 8.39 3.63 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 59 H 8.53 3.93 0.00 3.32 3.31 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.17 3.89 0.00 2.02 1.98 0.00 3.44 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 61 L 8.84 3.85 0.00 1.90 1.73 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.24 4.48 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 63 S 8.22 3.73 0.00 4.07 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 64 V 8.35 4.18 2.32 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 0.84 0.00 0.00 0.95 0.00 0.00 65 N 8.10 4.56 0.00 2.89 2.77 0.00 0.00 6.89 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 66 L 7.73 3.69 0.00 1.57 1.68 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.15 3.65 0.00 4.13 3.84 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 68 R 7.81 4.53 0.00 1.82 1.84 0.00 3.14 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 69 L 8.35 3.43 0.00 1.79 1.75 0.92 0.92 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 70 P 0.00 4.32 0.00 1.88 1.75 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 71 Y 6.95 4.84 0.00 2.95 3.06 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 0.00 0.00 0.00 72 E 8.33 4.15 0.00 2.12 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 2.32 2.37 0.00 73 P 0.00 4.25 0.00 2.22 2.24 0.00 3.95 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 74 K 8.54 3.67 0.00 1.90 1.84 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.48 7.81 75 L 8.44 3.39 0.00 1.80 1.71 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.93 4.17 0.00 1.99 1.79 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81