NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1262 8.3101 121.7878 56.4508 34.0540 175.5379 20 A 4.0210 7.4833 116.5683 51.2095 19.8343 173.1023 21 K 4.3231 8.2375 121.1843 55.5816 33.5891 176.4842 22 V 3.3879 8.0784 123.7881 65.9511 31.1422 177.4897 23 K 3.9887 7.7754 117.3326 59.8852 32.2209 177.8517 24 A 4.2837 8.0883 120.4927 54.8726 18.5199 179.1963 25 T 4.1025 7.6152 112.0540 64.2161 68.8847 174.5176 26 L 4.8614 7.0457 119.5418 52.6608 45.6536 177.2298 27 G 4.0539 8.4484 118.1015 45.5792 0.0000 175.3983 28 E 4.1126 8.8510 126.6714 55.8462 28.6173 175.8232 29 F 4.9443 7.8664 120.1609 54.6158 40.8753 175.4135 30 D 4.4541 8.5609 123.3853 53.4266 39.5201 176.1803 31 L 4.3834 8.0168 123.2271 56.4953 40.6808 177.9048 32 R 4.3028 8.0602 118.8919 56.3622 30.3055 175.2491 33 D 4.5589 7.7797 116.4074 53.8010 42.4208 175.4068 34 Y 4.7424 7.3275 119.2177 56.8286 39.1302 176.2333 35 R 4.5571 7.6918 117.6945 56.2739 32.0324 176.3227 36 N 4.7527 7.4598 116.8315 51.5589 36.3937 176.5010 37 V 3.6694 7.7156 114.2141 65.2844 31.8204 177.9637 38 E 3.8649 8.0563 117.7425 59.2287 29.7758 178.3848 39 V 3.5951 7.7202 117.5191 66.2192 31.5722 177.8388 40 L 4.3511 7.9117 118.1537 57.7928 39.8162 179.4124 41 K 3.9456 8.2069 119.6624 59.4879 31.9232 178.4342 42 R 3.4432 7.4856 115.7384 57.3712 30.0968 177.6776 43 F 4.6536 8.0941 118.3902 59.0822 39.6244 177.3904 44 L 4.6259 7.6351 114.9086 53.7445 41.3730 178.5488 45 S 3.8512 7.5960 114.7210 58.9841 63.8623 171.4248 46 E 4.8204 7.7328 113.0380 56.0995 29.8306 176.5128 47 T 4.5656 7.8579 106.3331 61.0692 72.7634 175.3118 48 G 4.1505 7.7473 107.1292 45.0176 0.0000 173.6007 49 K 4.3320 7.8446 119.9754 55.2315 33.1273 176.8104 50 I 4.0570 8.2722 124.4034 60.4607 35.0739 174.4315 51 L 3.7943 8.0024 122.6396 53.1360 42.6762 175.9117 52 P 4.4264 0.0000 0.0000 62.7340 31.8501 177.2890 53 R 4.0623 8.4006 118.2817 58.7326 30.1916 177.8677 54 R 4.5156 7.9141 115.1407 56.3817 30.1458 176.9599 55 R 4.5347 8.0797 117.4999 57.4258 33.1597 177.8986 56 T 3.9763 8.1668 107.8167 63.3068 69.7865 173.4485 57 G 3.8632 8.1831 108.4763 45.6759 0.0000 171.0859 58 L 4.8698 7.2411 117.6616 52.2025 46.6344 177.2012 59 S 4.4166 8.6154 112.9373 57.7736 63.9621 174.2209 60 A 4.0353 8.5037 127.0809 55.2968 17.6000 180.0567 61 K 3.9848 7.9651 117.5902 59.4022 32.3506 178.9146 62 E 3.7945 7.8879 118.5595 59.3032 29.6683 178.4413 63 Q 3.9548 8.6103 119.8961 59.4936 28.8957 178.7929 64 R 3.8847 7.6639 117.8304 59.2024 30.4253 178.9480 65 I 3.7453 7.3426 112.0136 63.4963 37.3738 177.2245 66 L 4.0068 7.7078 122.8421 57.5718 41.8952 178.0656 67 A 3.9923 8.2559 120.4976 54.9899 18.2831 179.2248 68 K 3.7529 8.2721 118.6266 60.3122 32.2155 179.0763 69 T 3.9973 7.5565 108.5358 64.6590 68.8893 176.1600 70 I 3.5834 8.0765 123.1120 64.4716 36.9277 178.0578 71 K 3.7243 8.1744 118.7228 59.6601 32.3136 178.9828 72 R 4.0256 7.6708 118.0089 59.5952 29.9434 178.8177 73 A 4.0369 7.9927 120.0037 55.3157 18.1783 179.8337 74 R 4.6721 7.4499 116.2343 58.6255 30.3208 179.0182 75 I 4.1948 7.6819 119.9646 64.0202 37.0458 177.5586 76 L 4.4006 7.5356 115.8407 54.8895 41.4692 178.3760 77 G 4.0582 8.0446 107.9367 45.6629 0.0000 175.1061 78 L 3.9430 6.9932 119.2325 57.4487 41.9101 177.4980 79 L 4.1333 7.8319 119.2118 54.2813 42.9191 175.6251 80 P 4.8680 0.0000 0.0000 62.7761 32.3040 175.9417 81 F 4.4486 8.6463 116.3869 59.3725 40.4010 176.8468 82 T 4.7961 7.5887 113.4802 62.3676 72.1715 173.0199 83 E 4.8518 8.5611 123.1362 53.9378 32.6550 175.9331 84 K 4.0563 8.6416 121.1153 56.2169 32.8356 176.3667 85 L 3.8638 8.6291 126.8806 55.2024 42.0239 177.1377 86 V 3.8161 8.1970 120.1969 60.4943 32.2674 175.1918 87 R 3.7518 8.5415 119.8162 56.9108 29.8360 176.1951 88 K 4.1753 8.6392 123.2597 57.1980 32.7214 176.7002 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 19 K 8.31 4.13 0.00 1.71 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.48 4.02 1.21 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 0.00 0.00 21 K 8.24 4.32 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.37 7.81 22 V 8.08 3.39 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 0.08 0.00 0.00 0.86 0.00 0.00 23 K 7.78 3.99 0.00 2.12 1.93 0.00 1.91 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.62 7.81 24 A 8.09 4.28 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 25 T 7.62 4.10 4.11 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 1.14 0.00 0.00 26 L 7.05 4.86 0.00 1.57 1.32 0.34 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.45 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.85 4.11 0.00 1.95 1.95 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 2.28 2.25 0.00 29 F 7.87 4.94 0.00 3.15 2.98 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 0.00 0.00 0.00 30 D 8.56 4.45 0.00 2.76 2.62 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 31 L 8.02 4.38 0.00 1.91 1.90 0.89 0.46 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 32 R 8.06 4.30 0.00 1.78 2.01 0.00 3.22 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 33 D 7.78 4.56 0.00 2.78 2.69 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 Y 7.33 4.74 0.00 3.01 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 35 R 7.69 4.56 0.00 1.81 2.03 0.00 3.24 0.00 0.00 3.44 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 36 N 7.46 4.75 0.00 2.88 3.01 0.00 0.00 6.87 7.55 0.00 0.00 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 V 7.72 3.67 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 0.96 0.00 0.00 0.95 0.00 0.00 38 E 8.06 3.86 0.00 1.93 1.95 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 2.27 2.39 0.00 39 V 7.72 3.60 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.86 0.00 0.00 40 L 7.91 4.35 0.00 1.83 1.78 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.21 3.95 0.00 2.07 1.88 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 42 R 7.49 3.44 0.00 1.49 1.42 0.00 3.04 0.00 0.00 3.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 43 F 8.09 4.65 0.00 3.30 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 44 L 7.64 4.63 0.00 1.78 1.67 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.60 3.85 0.00 4.12 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 46 E 7.73 4.82 0.00 2.04 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 2.22 2.33 0.00 47 T 7.86 4.57 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 1.22 0.00 0.00 48 G 7.75 4.15 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 0.00 49 K 7.84 4.33 0.00 1.81 1.74 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.41 7.81 50 I 8.27 4.06 1.87 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 1.39 0.70 0.90 0.00 0.00 51 L 8.00 3.79 0.00 1.86 1.67 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.43 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 53 R 8.40 4.06 0.00 1.88 1.99 0.00 3.22 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 54 R 7.91 4.52 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 55 R 8.08 4.53 0.00 2.00 1.89 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 56 T 8.17 3.98 4.53 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 1.50 0.00 0.00 57 G 8.18 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 58 L 7.24 4.87 0.00 1.61 1.65 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.62 4.42 0.00 3.89 3.79 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 0.00 0.00 0.00 60 A 8.50 4.04 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 61 K 7.97 3.98 0.00 1.82 1.80 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 7.89 3.79 0.00 2.23 1.95 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 2.36 2.34 0.00 63 Q 8.61 3.95 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 64 R 7.66 3.88 0.00 1.92 1.94 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 65 I 7.34 3.75 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 0.89 0.00 0.00 66 L 7.71 4.01 0.00 1.71 1.75 0.31 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.26 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 3.75 0.00 2.01 1.98 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 69 T 7.56 4.00 4.46 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 1.33 0.00 0.00 70 I 8.08 3.58 1.92 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 1.67 1.18 0.85 0.00 0.00 71 K 8.17 3.72 0.00 1.65 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.60 7.81 72 R 7.67 4.03 0.00 1.99 1.93 0.00 3.23 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 1.62 1.90 0.00 73 A 7.99 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.45 4.67 0.00 1.55 1.37 0.00 2.91 0.00 0.00 2.67 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 75 I 7.68 4.19 2.05 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 1.64 1.21 0.93 0.00 0.00 76 L 7.54 4.40 0.00 1.59 1.68 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.04 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 0.00 0.00 0.00 78 L 6.99 3.94 0.00 1.78 1.59 1.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.83 4.13 0.00 1.75 1.54 0.95 1.02 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 80 P 0.00 4.87 0.00 2.07 2.06 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 81 F 8.65 4.45 0.00 2.97 3.09 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 0.00 0.00 0.00 0.00 82 T 7.59 4.80 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 1.25 0.00 0.00 83 E 8.56 4.85 0.00 1.98 1.91 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 2.28 2.26 0.00 84 K 8.64 4.06 0.00 1.67 1.81 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.40 7.81 85 L 8.63 3.86 0.00 1.59 1.62 0.92 1.01 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 86 V 8.20 3.82 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 0.73 0.00 0.00 0.93 0.00 0.00 87 R 8.54 3.75 0.00 1.76 1.90 0.00 3.40 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 88 K 8.64 4.18 0.00 1.90 1.78 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.43 7.81