NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.0896 8.4293 121.4327 55.4888 31.4571 176.1405 20 I 4.2513 7.1519 108.3782 59.2229 39.4764 173.0314 21 D 4.3577 7.1113 118.4681 53.6056 44.3439 176.5537 22 Y 4.4281 7.9874 121.4319 58.1146 38.5520 177.1402 23 K 4.0313 7.1648 119.8563 59.7882 32.8089 178.8546 24 D 4.7501 7.6616 119.5866 54.4006 36.6433 177.0184 25 I 3.8161 7.6262 116.0632 63.4474 38.0031 177.9687 26 A 4.1377 7.9353 121.2205 54.6165 18.6757 178.9116 27 T 4.2218 8.4332 115.0303 66.3111 68.8362 177.1366 28 L 4.2567 7.8874 120.5727 57.1532 41.3638 179.2107 29 K 4.1209 8.1392 118.7637 59.6100 32.0065 177.7251 30 N 4.7544 7.5085 115.3338 53.5218 38.3724 174.9499 31 Y 4.7051 8.3373 113.8642 57.1033 40.1348 174.9340 32 I 4.9366 7.4079 112.4408 58.6946 40.5642 175.2715 33 T 4.0978 8.2124 117.0591 61.7290 67.8983 174.9046 34 E 3.9276 8.7505 124.0727 59.3245 29.4639 178.3826 35 S 4.4831 7.8768 110.8553 58.2125 63.3718 174.0555 36 G 4.3269 8.7035 115.7780 46.1049 0.0000 174.6983 37 K 3.8074 7.9578 118.5983 55.8650 32.4100 176.2448 38 I 4.0972 8.3483 124.2798 61.7884 37.9488 175.3056 39 V 4.4753 8.2766 125.3704 60.3845 32.9618 173.9790 40 P 4.6102 0.0000 0.0000 62.8735 32.5667 177.2325 41 S 4.5475 9.0335 114.6939 59.5183 63.0822 176.7727 42 R 4.0756 7.9610 116.8460 58.0146 29.7518 177.2911 43 I 4.2977 7.6848 117.7051 62.2417 39.0710 176.4941 44 T 4.0342 8.5305 109.7212 61.4756 69.1317 176.5844 45 G 4.3998 8.1784 108.3668 45.9494 0.0000 173.4596 46 T 4.2014 7.6395 113.8345 61.8735 68.8215 177.0446 47 R 4.4471 8.1241 123.6606 55.7432 29.3035 176.8125 48 A 4.5401 8.3243 124.5591 54.0555 20.7777 178.1570 49 K 4.0370 8.0789 115.2967 59.5336 32.5602 178.5291 50 Y 4.3244 8.0622 116.6996 61.3170 38.0243 177.8325 51 Q 4.1686 8.4216 119.8585 59.5921 28.5589 178.7160 52 R 4.0855 7.9516 118.0639 58.2943 30.2087 178.0516 53 Q 4.2946 8.3952 117.4004 57.2729 29.2195 176.8185 54 L 3.8864 8.1177 120.3267 55.8312 41.3325 178.4059 55 A 4.0448 7.1275 122.3777 56.5192 18.9102 179.1020 56 R 3.8354 7.7225 116.9640 59.6179 29.9554 178.3063 57 A 4.1766 8.5682 120.4183 55.7662 18.5548 179.0564 58 I 3.6564 8.4832 118.8787 63.7583 37.1469 178.3126 59 K 3.8027 8.8128 119.2917 60.0924 32.0284 178.8914 60 R 3.9151 8.2591 117.2910 59.7429 30.2271 177.7763 61 A 4.1826 8.2279 120.1858 54.4963 18.6929 179.6778 62 R 4.3416 8.0239 118.4999 59.2203 29.8045 178.6435 63 Y 4.3286 7.4508 114.1143 60.6350 37.9831 177.7280 64 L 4.2479 7.9464 115.7015 54.7138 41.3168 176.7000 65 S 3.8018 8.0424 111.2227 59.3076 61.4572 173.1358 66 L 4.2030 7.9322 119.2598 56.6264 41.7353 177.4568 67 L 4.7918 7.3940 117.3768 51.8745 45.0781 173.8406 68 P 4.6279 0.0000 0.0000 62.3331 32.4879 175.8661 69 Y 3.9877 8.5450 120.5527 61.3160 38.1055 176.3870 70 T 4.2572 7.7543 112.2353 61.5448 68.3895 173.5188 71 D 4.8223 8.4782 122.6121 53.2584 39.2052 177.4763 72 R 4.2112 7.3232 118.8294 58.3413 30.9816 176.2943 73 H 4.2351 8.4157 120.2290 56.6232 28.6857 175.3800 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 E 8.43 4.09 0.00 1.66 1.83 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 1.64 1.94 0.00 20 I 7.15 4.25 1.78 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 1.21 0.60 0.78 0.00 0.00 21 D 7.11 4.36 0.00 2.47 2.24 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 22 Y 7.99 4.43 0.00 3.13 3.23 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 0.00 23 K 7.16 4.03 0.00 1.65 1.76 0.00 1.42 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 0.60 7.81 24 D 7.66 4.75 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.82 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 1.73 0.60 0.97 0.00 0.00 26 A 7.94 4.14 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 27 T 8.43 4.22 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 28 L 7.89 4.26 0.00 1.76 1.73 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.14 4.12 0.00 2.03 2.18 0.00 1.31 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.50 7.81 30 N 7.51 4.75 0.00 2.69 2.68 0.00 0.00 6.77 7.34 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 31 Y 8.34 4.71 0.00 3.16 2.93 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 32 I 7.41 4.94 2.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 1.00 0.00 0.00 33 T 8.21 4.10 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 1.27 0.00 0.00 34 E 8.75 3.93 0.00 2.00 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 0.00 2.32 2.31 0.00 35 S 7.88 4.48 0.00 4.11 3.96 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 36 G 8.70 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.96 3.81 0.00 1.84 1.83 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.53 7.81 38 I 8.35 4.10 1.90 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 1.24 0.48 0.96 0.00 0.00 39 V 8.28 4.48 2.21 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 0.80 0.00 0.00 0.98 0.00 0.00 40 P 0.00 4.61 0.00 2.18 2.20 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 41 S 9.03 4.55 0.00 3.94 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 0.00 42 R 7.96 4.08 0.00 1.93 2.07 0.00 3.00 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 43 I 7.68 4.30 1.88 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 1.48 0.93 0.91 0.00 0.00 44 T 8.53 4.03 4.28 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 0.00 0.00 0.00 1.27 0.00 0.00 45 G 8.18 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.64 4.20 4.48 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 1.42 0.00 0.00 47 R 8.12 4.45 0.00 1.70 1.24 0.00 3.28 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 0.00 48 A 8.32 4.54 1.24 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 49 K 8.08 4.04 0.00 1.79 1.92 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.60 7.81 50 Y 8.06 4.32 0.00 2.97 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 51 Q 8.42 4.17 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 52 R 7.95 4.09 0.00 2.10 1.98 0.00 3.18 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 53 Q 8.40 4.29 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 54 L 8.12 3.89 0.00 1.81 1.41 -0.15 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.13 4.04 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 56 R 7.72 3.84 0.00 2.11 1.95 0.00 3.12 0.00 0.00 3.18 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 57 A 8.57 4.18 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.48 3.66 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 0.86 0.00 0.00 59 K 8.81 3.80 0.00 2.02 2.23 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.71 7.81 60 R 8.26 3.92 0.00 2.05 2.11 0.00 3.24 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 61 A 8.23 4.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.34 0.00 1.27 0.66 0.00 2.87 0.00 0.00 2.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.46 0.00 63 Y 7.45 4.33 0.00 3.00 3.07 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 64 L 7.95 4.25 0.00 1.73 1.69 0.58 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.04 3.80 0.00 4.03 3.93 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 66 L 7.93 4.20 0.00 1.77 1.74 1.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.39 4.79 0.00 1.52 1.41 0.91 0.97 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 68 P 0.00 4.63 0.00 2.41 2.03 0.00 3.70 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 1.93 1.96 0.00 69 Y 8.54 3.99 0.00 3.01 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 70 T 7.75 4.26 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 1.18 0.00 0.00 71 D 8.48 4.82 0.00 2.80 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 72 R 7.32 4.21 0.00 1.99 1.95 0.00 3.38 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 73 H 8.42 4.24 0.00 3.10 3.29 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00