NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4442 0.0000 0.0000 62.8629 33.3423 174.4917 2 M 4.9401 8.5191 120.2703 52.8003 35.2761 173.0659 3 L 4.7563 9.6712 128.4689 53.5104 45.4832 174.1783 4 E 4.9400 8.8841 126.1541 54.8451 31.3104 175.7084 5 V 4.3276 8.6364 124.2884 61.0106 34.2925 173.9734 6 F 5.4507 8.9487 126.3858 55.9598 40.9024 174.1933 7 Y 4.7565 9.1222 125.3268 55.7403 41.6513 174.2233 8 S 4.6313 7.5226 119.7983 56.7557 65.7266 173.0412 9 G 3.8915 7.9864 113.6735 45.3464 0.0000 172.4586 10 D 4.5632 8.8250 118.0359 54.7401 39.8786 176.8008 11 R 4.5795 7.6254 116.2126 52.5839 29.1351 172.2831 12 P 4.3530 0.0000 0.0000 62.5862 32.1295 175.4712 13 P 4.1820 0.0000 0.0000 62.4048 31.5697 176.5007 14 D 4.6104 8.3252 121.6322 52.6356 41.7039 177.1113 15 R 3.8586 8.4536 118.3646 60.0736 29.8457 178.0174 16 T 4.0990 7.8225 113.4789 64.6877 67.3655 176.1598 17 R 3.9579 8.4357 120.1465 59.1723 30.0415 179.1946 18 K 4.1263 7.8280 117.8613 59.3562 31.4872 179.4593 19 Q 3.9970 8.4863 118.6234 58.8137 28.5422 178.7026 20 A 3.9986 8.0265 121.7427 55.1389 18.3976 179.4598 21 F 3.9339 8.3595 118.9166 61.2642 39.4505 177.1277 22 A 3.8062 8.4933 120.5718 55.0884 18.2021 179.3677 23 A 3.8809 8.1118 119.4134 55.4770 18.3750 179.7992 24 E 3.8369 8.3535 117.0678 59.2649 29.4570 179.3650 25 A 3.8123 7.7467 121.1841 55.1146 18.2959 179.6975 26 S 4.0367 8.0890 113.3820 61.9405 62.9507 176.7963 27 A 3.9922 7.9192 123.1702 55.2948 18.0223 179.8755 28 I 3.6503 7.9319 118.3804 64.5697 37.2882 178.5688 29 F 4.0616 8.4764 118.7627 60.5184 38.7527 177.5358 30 Q 4.2997 8.4854 120.8828 58.8255 28.6862 178.3758 31 R 3.9539 8.1061 118.8758 58.7310 30.1689 177.9626 32 V 4.1095 7.7396 117.8853 62.3445 32.3229 176.6918 33 I 4.3432 7.5308 109.3784 59.8027 38.0210 175.7954 34 G 3.8605 8.2119 107.6656 46.6615 0.0000 174.0672 35 T 3.9192 7.8913 116.9720 62.6189 69.0101 172.2805 36 P 4.4520 0.0000 0.0000 61.4727 32.0907 174.2473 37 P 4.4139 0.0000 0.0000 64.3741 31.6355 176.4854 38 G 3.9877 9.0132 109.3010 45.4329 0.0000 174.2807 39 R 4.2576 7.2660 116.0257 56.3998 30.9602 176.4701 40 L 3.7410 7.6591 120.7971 55.2510 42.7426 176.5830 41 Q 4.2899 8.7933 126.2205 54.9291 29.2092 173.9968 42 L 4.9347 8.2125 126.1722 53.4622 44.2022 175.8990 43 I 4.4599 8.5471 125.8989 59.8733 40.7777 174.0189 44 I 4.5099 8.3055 128.3200 60.0612 38.5656 175.2696 45 Q 4.5946 9.4307 129.2421 54.1540 31.6569 173.8730 46 I 4.9488 8.5385 120.9165 59.5066 39.0703 175.1357 47 V 4.5761 8.6291 128.2648 59.3618 33.0784 176.3574 48 S 4.3679 8.6858 119.5632 57.2781 63.9311 173.0597 49 P 4.2483 0.0000 0.0000 65.9114 31.1169 178.4007 50 E 4.0946 8.1844 113.6773 58.2615 29.5837 176.9531 51 N 4.8314 8.3852 116.6225 53.0802 38.8279 173.5762 52 T 4.6677 7.3668 112.8160 60.1652 70.7780 173.5203 53 L 3.8975 8.5237 121.1815 55.5907 41.8143 177.3967 54 A 4.0224 7.9452 124.9567 52.5999 18.5772 176.7858 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 P 0.00 4.44 0.00 1.86 2.29 0.00 3.52 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 2 M 8.52 4.94 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 3 L 9.67 4.76 0.00 1.67 1.52 1.25 1.38 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 4 E 8.88 4.94 0.00 1.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 5 V 8.64 4.33 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 0.82 0.00 0.00 0.91 0.00 0.00 6 F 8.95 5.45 0.00 2.94 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 7 Y 9.12 4.76 0.00 2.98 2.77 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 8 S 7.52 4.63 0.00 3.75 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 3.89 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 0.00 0.00 0.00 10 D 8.82 4.56 0.00 2.82 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 11 R 7.63 4.58 0.00 1.93 1.99 0.00 3.10 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 12 P 0.00 4.35 0.00 2.20 2.19 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 13 P 0.00 4.18 0.00 2.02 1.80 0.00 3.47 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.37 0.00 14 D 8.33 4.61 0.00 2.95 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 15 R 8.45 3.86 0.00 1.93 1.97 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 16 T 7.82 4.10 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 1.20 0.00 0.00 17 R 8.44 3.96 0.00 1.97 1.92 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 18 K 7.83 4.13 0.00 1.95 1.88 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.56 7.81 19 Q 8.49 4.00 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 20 A 8.03 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 3.93 0.00 3.21 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 22 A 8.49 3.81 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 23 A 8.11 3.88 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 24 E 8.35 3.84 0.00 1.93 1.89 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 2.29 2.39 0.00 25 A 7.75 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.09 4.04 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.65 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.73 0.00 0.00 29 F 8.48 4.06 0.00 3.05 3.03 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 30 Q 8.49 4.30 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 31 R 8.11 3.95 0.00 1.89 1.97 0.00 3.28 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 V 7.74 4.11 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 0.85 0.00 0.00 0.86 0.00 0.00 33 I 7.53 4.34 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.91 0.00 0.00 34 G 8.21 3.86 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 0.00 0.00 0.00 35 T 7.89 3.92 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 1.15 0.00 0.00 36 P 0.00 4.45 0.00 2.16 1.96 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 37 P 0.00 4.41 0.00 2.14 2.04 0.00 3.46 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 1.98 2.24 0.00 38 G 9.01 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 0.00 0.00 0.00 39 R 7.27 4.26 0.00 1.91 1.94 0.00 3.16 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 40 L 7.66 3.74 0.00 1.34 1.41 -0.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.79 4.29 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 42 L 8.21 4.93 0.00 1.58 1.52 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.55 4.46 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.43 0.82 0.00 0.00 44 I 8.31 4.51 1.83 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 1.24 0.79 0.84 0.00 0.00 45 Q 9.43 4.59 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 46 I 8.54 4.95 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.90 0.00 0.00 47 V 8.63 4.58 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 0.96 0.00 0.00 0.95 0.00 0.00 48 S 8.69 4.37 0.00 4.04 4.06 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 49 P 0.00 4.25 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 50 E 8.18 4.09 0.00 2.07 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 0.00 2.28 2.33 0.00 51 N 8.39 4.83 0.00 2.81 2.85 0.00 0.00 6.63 7.58 0.00 0.00 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 T 7.37 4.67 4.21 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 1.22 0.00 0.00 53 L 8.52 3.90 0.00 1.63 1.69 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.95 4.02 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