NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2953 8.2644 123.5822 52.3398 20.0901 175.9501 3 K 4.1436 8.5467 118.7040 57.9897 33.2792 173.9321 4 E 4.1970 8.3077 116.3143 58.8682 30.8958 177.6205 5 C 4.5386 7.8300 120.0087 54.3818 41.9974 171.8611 6 R 4.8733 7.2840 118.0722 55.5317 31.4496 175.9702 7 C 4.4642 8.6862 116.2731 57.4567 40.5992 174.2037 8 Q 4.0754 9.6330 121.8259 56.5353 29.1743 175.3182 9 C 4.9599 8.5406 115.9047 55.1088 42.2125 173.6295 10 I 3.9294 8.1703 123.2589 61.5489 38.5328 175.0880 11 K 4.4861 7.4284 116.2393 56.4465 34.5475 174.2861 12 T 4.8398 8.2585 109.7200 59.8569 71.3469 172.9706 13 Y 4.4974 8.9997 124.9620 57.3536 38.9259 175.5761 14 S 4.7257 8.3908 122.6165 58.6822 63.7759 174.1811 15 K 3.9687 6.7478 120.8625 54.2354 32.2689 174.9473 16 P 2.0000 0.0000 0.0000 61.6541 31.6579 175.6537 17 F 5.0263 7.0566 115.7030 55.1651 41.4045 173.4093 18 H 4.5185 9.2393 121.5695 55.1098 30.4302 174.3414 19 P 4.6587 0.0000 0.0000 64.8909 31.1097 178.0842 20 K 4.1111 8.3391 117.5703 59.2920 32.7984 177.5109 21 F 4.6069 8.1879 117.2847 57.7878 39.3554 174.9987 22 I 4.7706 7.6850 123.0992 60.0207 37.9133 175.5067 23 K 4.8438 8.6408 122.9304 56.8307 34.7502 175.8268 24 E 4.8557 7.7247 120.7991 54.5855 33.2661 173.3463 25 L 5.1557 8.5251 126.4296 53.3378 45.7212 175.6107 26 R 4.6789 8.8007 123.0821 54.4328 34.2123 174.2435 27 V 4.7077 8.5656 123.1354 61.2287 34.1463 174.5904 28 I 4.4203 8.6071 130.0020 59.2043 39.0935 175.1385 29 E 4.5492 9.0379 128.5795 55.1701 30.3020 176.6737 30 S 4.3268 8.8366 119.8278 58.7937 63.9914 174.8869 31 G 4.0025 8.6075 107.5684 45.7781 0.0000 171.7911 32 P 4.2235 0.0000 0.0000 65.6797 31.6063 177.7351 33 C 4.6122 7.9534 112.9679 57.2063 40.3349 173.6810 34 C 4.9649 7.9763 117.8895 55.3517 46.5931 174.4355 35 A 3.7923 8.8920 130.4732 54.4377 18.2833 176.5257 36 N 5.2122 7.6551 110.9987 51.3689 42.5062 174.7464 37 T 4.3733 8.3832 117.2807 63.8069 69.9896 173.3839 38 E 4.8654 9.2915 124.7667 54.5617 33.4436 175.0721 39 I 4.9362 8.2611 122.9780 59.6684 40.9003 174.2005 40 I 4.9660 8.7091 128.1502 59.5113 40.0390 175.2031 41 V 4.8171 9.1030 120.2369 59.3289 35.2808 174.4006 42 K 4.8680 8.5741 125.1304 54.9482 34.1183 175.8339 43 L 5.1615 9.0173 128.0124 53.2901 43.5324 178.0276 44 S 4.2221 8.6932 114.9746 61.1782 63.0808 175.1637 45 D 4.4161 7.9562 118.9223 54.8357 40.6419 177.0754 46 G 3.9435 8.0675 108.2953 45.0203 0.0000 174.1637 47 R 4.1637 7.4721 118.7719 55.8786 31.8019 175.4825 48 E 4.9027 8.6551 121.7623 54.9647 31.2351 175.1476 49 L 4.7509 8.9309 125.5947 53.0939 44.8057 175.0967 50 C 5.2499 8.6921 119.7122 55.6905 42.1199 172.6901 51 L 5.1536 8.9704 123.4559 52.6272 44.9526 176.1692 52 D 4.4343 8.4305 121.4441 52.9908 40.8612 175.3347 53 P 4.2831 0.0000 0.0000 64.7685 31.4236 177.2132 54 K 4.2002 7.8873 117.1992 56.9811 32.7504 176.9259 55 E 4.2814 7.7891 120.7440 55.1602 30.9008 176.6016 56 N 4.2573 8.8360 122.1379 56.3707 38.7538 177.4210 57 W 4.2884 8.1926 117.3548 59.4936 28.0756 178.4131 58 V 2.5328 6.5839 118.5253 65.5526 31.0282 177.9016 59 Q 3.9048 7.7561 117.7924 58.9583 28.5028 179.0460 60 R 3.9578 8.0762 119.2058 59.1312 30.2462 179.2315 61 V 3.6385 7.9658 118.2138 66.0416 31.6011 178.3311 62 V 3.7327 7.9961 118.1166 65.6594 31.4235 177.7458 63 E 3.9627 8.1634 119.2429 59.1525 29.6283 178.9553 64 K 4.0146 8.2389 118.6299 59.3449 32.0388 179.1778 65 F 4.1469 8.2339 120.6626 61.1403 39.3598 176.8597 66 L 3.7317 7.9791 119.8405 58.1887 41.6576 179.2079 67 K 3.9684 7.6877 116.9989 59.1965 32.2526 179.1628 68 R 3.9279 7.8155 118.6216 59.3670 30.0849 178.4605 69 A 3.8181 7.7994 120.9267 55.0043 18.0675 179.1249 70 E 4.0474 7.9306 115.4255 58.2568 29.6142 177.9703 71 N 4.7344 7.7521 115.1127 53.1531 39.1850 175.0868 72 S 4.3180 7.8000 122.2112 58.5661 63.4549 173.7543 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 2 A 8.26 4.30 1.32 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 0.00 0.00 0.00 3 K 8.55 4.14 0.00 1.79 1.81 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 E 8.31 4.20 0.00 1.99 1.98 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 2.28 2.29 0.00 5 C 7.83 4.54 0.00 2.93 3.01 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 6 R 7.28 4.87 0.00 1.89 1.84 0.00 2.70 0.00 0.00 4.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 7 C 8.69 4.46 0.00 2.98 3.21 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 0.00 0.00 0.00 0.00 8 Q 9.63 4.08 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 9 C 8.54 4.96 0.00 3.00 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 10 I 8.17 3.93 1.88 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 1.48 0.69 0.93 0.00 0.00 11 K 7.43 4.49 0.00 1.87 1.74 0.00 1.53 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.47 7.81 12 T 8.26 4.84 4.37 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 1.23 0.00 0.00 13 Y 9.00 4.50 0.00 2.94 3.16 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 0.00 0.00 0.00 0.00 14 S 8.39 4.73 0.00 3.87 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 15 K 6.75 3.97 0.00 0.81 1.50 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.17 7.81 16 P 0.00 2.00 0.00 1.45 0.65 0.00 3.23 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.00 17 F 7.06 5.03 0.00 3.15 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 18 H 9.24 4.52 0.00 3.38 3.43 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.66 0.00 2.38 2.60 0.00 3.41 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 20 K 8.34 4.11 0.00 1.69 1.95 0.00 1.18 0.00 0.00 1.18 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.24 7.81 21 F 8.19 4.61 0.00 3.17 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 22 I 7.69 4.77 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 0.12 0.00 0.00 23 K 8.64 4.84 0.00 1.79 1.95 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.36 7.81 24 E 7.72 4.86 0.00 2.03 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 2.32 2.35 0.00 25 L 8.53 5.16 0.00 1.33 1.58 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.80 4.68 0.00 1.96 1.75 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 27 V 8.57 4.71 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 28 I 8.61 4.42 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 1.11 0.65 0.91 0.00 0.00 29 E 9.04 4.55 0.00 1.97 1.84 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 2.28 2.14 0.00 30 S 8.84 4.33 0.00 4.01 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 31 G 8.61 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 0.00 0.00 0.00 32 P 0.00 4.22 0.00 2.05 2.15 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 33 C 7.95 4.61 0.00 2.98 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 34 C 7.98 4.96 0.00 2.92 2.87 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 35 A 8.89 3.79 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 36 N 7.66 5.21 0.00 2.54 2.68 0.00 0.00 6.95 7.54 0.00 0.00 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 T 8.38 4.37 4.22 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 1.19 0.00 0.00 38 E 9.29 4.87 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 39 I 8.26 4.94 1.97 0.00 0.00 0.79 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 0.85 0.86 0.00 0.00 40 I 8.71 4.97 1.86 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 1.23 0.75 0.96 0.00 0.00 41 V 9.10 4.82 2.01 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 0.62 0.00 0.00 1.10 0.00 0.00 42 K 8.57 4.87 0.00 1.79 1.62 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.36 7.81 43 L 9.02 5.16 0.00 1.47 1.64 0.34 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.69 4.22 0.00 4.06 4.07 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 45 D 7.96 4.42 0.00 2.59 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.47 4.16 0.00 1.62 1.69 0.00 2.92 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 48 E 8.66 4.90 0.00 1.79 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 2.27 0.00 49 L 8.93 4.75 0.00 1.52 1.56 0.24 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.69 5.25 0.00 3.07 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 51 L 8.97 5.15 0.00 1.33 1.32 0.87 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.43 4.43 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.16 2.11 0.00 3.76 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 1.94 2.04 0.00 54 K 7.89 4.20 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.52 7.81 55 E 7.79 4.28 0.00 1.88 1.51 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 2.34 2.31 0.00 56 N 8.84 4.26 0.00 2.81 2.91 0.00 0.00 6.89 7.68 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 57 W 8.19 4.29 0.00 3.48 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 58 V 6.58 2.53 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 -0.48 0.00 0.00 59 Q 7.76 3.90 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 60 R 8.08 3.96 0.00 2.07 2.01 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 61 V 7.97 3.64 2.28 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 0.93 0.00 0.00 1.12 0.00 0.00 62 V 8.00 3.73 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 0.98 0.00 0.00 0.92 0.00 0.00 63 E 8.16 3.96 0.00 2.35 2.10 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 2.31 2.40 0.00 64 K 8.24 4.01 0.00 2.07 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.50 7.81 65 F 8.23 4.15 0.00 3.25 3.11 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 0.00 0.00 0.00 0.00 66 L 7.98 3.73 0.00 2.02 1.84 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.69 3.97 0.00 1.78 1.82 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.57 7.81 68 R 7.82 3.93 0.00 1.86 1.91 0.00 3.10 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 1.54 1.60 0.00 69 A 7.80 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.93 4.05 0.00 2.12 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 2.30 2.37 0.00 71 N 7.75 4.73 0.00 2.84 2.81 0.00 0.00 6.76 6.87 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 72 S 7.80 4.32 0.00 3.89 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