NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5757 8.1633 120.6443 55.5077 33.9743 173.6637 2 I 4.9285 8.5897 126.8763 59.3124 39.4858 173.3821 3 I 4.5511 8.6426 128.7489 59.8436 39.2615 174.3071 4 N 5.3710 8.8018 123.4944 50.8602 40.3637 173.8759 5 N 4.8846 8.5406 116.8378 53.0334 39.6033 176.8231 6 L 3.7760 8.2235 122.9576 58.0360 41.9668 178.7238 7 K 3.9921 7.9467 118.9741 59.7542 32.1905 178.5549 8 L 3.9719 7.7872 118.5796 57.7226 41.6743 179.4955 9 I 3.6861 7.7317 119.8406 64.2441 37.0583 178.3376 10 R 3.8805 8.2131 119.8583 59.6537 29.9368 178.4523 11 E 3.9693 8.4637 118.5992 59.2136 29.2114 179.1682 12 K 3.9472 7.9406 118.7983 59.3272 32.3581 178.1969 13 K 4.2145 7.7912 115.3424 55.8855 32.2268 176.9177 14 K 3.8605 7.8421 117.7003 57.5088 29.8764 175.3728 15 I 4.9035 7.8022 119.2677 59.1380 38.4722 177.0447 16 S 4.5014 8.5330 120.4823 57.6369 65.3413 175.3040 17 Q 3.9969 8.4809 121.3220 59.1955 28.4844 179.2208 18 S 4.1019 8.0453 114.8005 61.2461 63.0977 176.0198 19 E 3.8611 7.9817 122.6309 59.0788 29.4694 178.6233 20 L 3.9237 8.0930 120.1776 57.9439 42.1422 178.5813 21 A 3.9796 8.3183 120.8446 55.1747 18.1978 179.3684 22 A 3.8884 8.0782 119.1825 55.2391 18.2276 179.6182 23 L 3.7375 7.4854 117.2558 58.1189 42.3182 178.6011 24 L 4.1868 7.8237 115.6248 54.1433 42.6816 176.2284 25 E 3.7598 7.7200 117.8102 57.6382 27.2078 173.4777 26 V 4.5847 7.6327 109.8250 58.6039 36.2765 176.7218 27 S 4.4557 8.2498 115.6343 58.0290 65.0975 175.0836 28 R 3.8916 8.4878 122.6507 59.6366 29.7820 178.3798 29 Q 4.0146 8.1756 118.9263 59.5628 28.9551 178.4889 30 T 4.0655 8.0151 116.4940 66.8136 68.5542 176.5418 31 I 3.7308 7.5523 121.4910 64.5407 37.1615 178.0438 32 N 4.4022 8.6700 118.3565 56.6674 38.6932 177.1554 33 G 3.5076 8.4877 108.9232 46.9771 0.0000 175.7959 34 I 3.6391 7.6001 122.0270 64.4280 36.9971 178.4755 35 E 4.0577 7.9315 117.6555 58.6214 29.2413 178.5180 36 K 4.3306 7.7888 116.4874 55.1305 32.4237 176.0491 37 N 4.1465 7.7770 115.2804 54.3815 36.2092 176.3797 38 K 4.2997 7.6503 118.2298 57.2949 33.9072 177.9098 39 Y 4.5237 6.1573 120.0874 57.4422 42.9052 176.1818 40 N 4.8665 9.2305 120.0586 50.8794 38.7411 172.8378 41 P 4.6131 0.0000 0.0000 61.6568 32.6050 176.4411 42 S 4.3054 8.2144 113.7941 57.7516 64.7828 174.7883 43 L 3.8024 8.3137 123.4876 58.4337 41.7234 178.7851 44 Q 3.9072 7.9730 118.7840 59.2309 28.9718 177.9299 45 L 3.9706 8.1570 121.1900 57.9321 42.0805 178.6850 46 A 3.9595 8.1075 120.9496 55.1920 18.2368 179.6130 47 L 4.0178 8.2401 117.7550 57.8722 41.6881 179.9371 48 K 4.0338 8.3263 118.5245 59.4246 31.9087 179.3669 49 I 3.8740 8.3095 120.2274 64.5785 37.0201 178.3725 50 A 4.0705 8.3776 121.5423 55.1638 18.2675 178.8738 51 Y 3.8216 8.2734 118.1118 61.3748 38.6964 178.2023 52 Y 4.3094 8.1136 116.1651 60.6249 38.1888 177.3365 53 L 4.2442 8.3400 117.7380 54.2308 42.4626 175.9997 54 N 4.1038 7.8450 116.4336 54.6771 37.9200 174.0347 55 T 4.6798 7.6183 111.2356 60.7268 72.8867 172.9268 56 P 4.3371 0.0000 0.0000 62.5805 32.2031 177.0807 57 L 4.0634 8.7860 124.2425 58.4687 42.0985 178.5069 58 E 4.8205 8.0246 114.2551 57.4385 29.6016 177.1908 59 D 4.6952 8.0795 118.5313 55.8190 41.6653 177.4446 60 I 3.8129 7.6315 119.4613 62.2175 38.3015 174.9164 61 F 5.1330 8.4709 120.8273 55.8857 41.6600 174.8406 62 Q 4.7481 9.2076 125.0569 53.5056 30.5574 175.2094 63 W 4.7112 8.9168 135.0000 57.4690 31.6629 175.5503 64 Q 4.0553 8.2753 126.9327 53.9217 28.3992 174.2741 65 P 2.0000 0.0000 0.0000 61.9156 32.0061 176.4604 66 E 4.0803 7.6619 121.7840 56.5593 29.6423 174.5492 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 8.16 4.58 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 2 I 8.59 4.93 2.17 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.08 1.15 0.00 0.00 3 I 8.64 4.55 1.88 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 1.29 0.71 0.90 0.00 0.00 4 N 8.80 5.37 0.00 2.40 2.88 0.00 0.00 6.02 8.04 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 5 N 8.54 4.88 0.00 2.68 2.72 0.00 0.00 6.87 6.39 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 6 L 8.22 3.78 0.00 1.58 1.71 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.95 3.99 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.57 7.81 8 L 7.79 3.97 0.00 1.69 1.67 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.73 3.69 1.82 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 1.37 1.14 0.89 0.00 0.00 10 R 8.21 3.88 0.00 1.91 2.08 0.00 3.34 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 11 E 8.46 3.97 0.00 2.09 1.97 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 2.32 2.44 0.00 12 K 7.94 3.95 0.00 1.82 2.01 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.62 7.81 13 K 7.79 4.21 0.00 1.95 1.84 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 14 K 7.84 3.86 0.00 1.92 1.92 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.54 7.81 15 I 7.80 4.90 1.98 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 0.99 1.87 0.96 0.00 0.00 16 S 8.53 4.50 0.00 4.05 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 17 Q 8.48 4.00 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 18 S 8.05 4.10 0.00 4.04 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 0.00 19 E 7.98 3.86 0.00 2.01 2.23 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 2.29 2.30 0.00 20 L 8.09 3.92 0.00 1.81 1.65 0.95 0.90 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 21 A 8.32 3.98 1.46 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 0.00 0.00 22 A 8.08 3.89 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 23 L 7.49 3.74 0.00 1.60 1.72 0.47 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.82 4.19 0.00 1.68 1.74 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.72 3.76 0.00 2.06 2.00 0.00 0.00 0.00 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 2.23 0.00 26 V 7.63 4.58 2.11 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 0.75 0.00 0.00 0.97 0.00 0.00 27 S 8.25 4.46 0.00 4.06 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 28 R 8.49 3.89 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 29 Q 8.18 4.01 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 30 T 8.02 4.07 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 31 I 7.55 3.73 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.95 0.94 0.00 0.00 32 N 8.67 4.40 0.00 2.95 2.83 0.00 0.00 7.17 7.45 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 33 G 8.49 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.64 2.04 0.00 0.00 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 1.62 0.91 1.10 0.00 0.00 35 E 7.93 4.06 0.00 2.07 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 2.33 2.51 0.00 36 K 7.79 4.33 0.00 1.70 1.78 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.58 7.81 37 N 7.78 4.15 0.00 2.86 2.88 0.00 0.00 6.92 7.41 0.00 0.00 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 K 7.65 4.30 0.00 1.38 1.90 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.41 7.81 39 Y 6.16 4.52 0.00 3.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.23 4.87 0.00 2.78 2.81 0.00 0.00 6.79 8.02 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 41 P 0.00 4.61 0.00 2.09 2.10 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.71 0.00 42 S 8.21 4.31 0.00 4.03 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 43 L 8.31 3.80 0.00 1.71 1.67 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.97 3.91 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 45 L 8.16 3.97 0.00 1.81 1.64 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.11 3.96 1.02 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 0.00 0.00 47 L 8.24 4.02 0.00 1.84 1.75 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.33 4.03 0.00 2.06 2.04 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.66 7.81 49 I 8.31 3.87 2.30 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 1.08 0.00 0.00 50 A 8.38 4.07 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 0.00 0.00 0.00 0.00 0.00 51 Y 8.27 3.82 0.00 3.03 2.95 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 0.00 0.00 0.00 52 Y 8.11 4.31 0.00 3.18 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 53 L 8.34 4.24 0.00 1.75 1.74 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.85 4.10 0.00 2.74 2.79 0.00 0.00 6.88 7.51 0.00 0.00 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 T 7.62 4.68 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 1.20 0.00 0.00 56 P 0.00 4.34 0.00 2.31 2.00 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 57 L 8.79 4.06 0.00 1.77 1.76 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.02 4.82 0.00 2.06 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 2.42 2.38 0.00 59 D 8.08 4.70 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.63 3.81 1.64 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 1.30 0.78 0.14 0.00 0.00 61 F 8.47 5.13 0.00 2.97 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 62 Q 9.21 4.75 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.56 2.28 0.00 63 W 8.92 4.71 0.00 3.27 3.22 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 64 Q 8.28 4.06 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 65 P 0.00 2.00 0.00 1.75 1.71 0.00 3.36 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 66 E 7.66 4.08 0.00 1.70 1.77 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 2.24 2.29 0.00