NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.3865 8.4444 120.2364 55.9027 31.5552 175.9190 20 I 4.3383 7.5344 117.9611 59.3138 40.2718 171.7687 21 D 4.9227 8.3497 126.7869 54.2492 45.7946 175.0238 22 Y 4.8700 7.9381 113.6598 58.1623 38.9161 175.5640 23 K 4.2433 7.6910 114.6237 57.5421 35.4473 175.1177 24 D 4.6860 7.6942 120.2410 52.6516 41.8151 176.1066 25 I 3.7402 8.5092 124.6957 64.8366 36.9162 176.4822 26 A 3.8859 8.2583 120.2748 55.2645 17.9255 179.0941 27 T 3.5745 7.7301 105.4036 64.8882 68.4764 176.2867 28 L 4.0792 7.3310 122.5938 56.9985 41.5370 179.4453 29 K 4.0988 7.3945 115.2005 58.3187 31.9350 177.2062 30 N 4.7351 7.3685 115.7237 53.1214 38.7991 175.4037 31 Y 5.1564 7.5463 114.3113 57.8395 40.3698 174.0638 32 I 5.0185 7.8739 118.0437 59.5621 41.7596 174.4429 33 T 4.4735 8.7475 117.8105 60.7963 71.1293 174.8472 34 E 4.4700 8.7224 118.8608 56.7878 29.8281 177.0854 35 S 5.0640 7.4933 113.5014 57.5111 63.3035 174.7360 36 G 3.9119 8.1719 108.7454 45.1866 0.0000 173.0681 37 K 4.8558 7.8655 118.0818 53.9932 36.7305 175.6869 38 I 4.4494 8.2157 115.4809 60.4464 39.5426 175.4403 39 V 4.3035 8.0048 121.6126 60.3900 32.6166 173.5900 40 P 4.4243 0.0000 0.0000 62.5784 32.2114 176.9195 41 S 4.6724 9.4009 114.2095 57.5407 63.5340 175.3044 42 R 4.4448 7.8540 116.8497 56.1722 29.5124 176.5214 43 I 4.4298 7.6232 110.6315 61.0022 39.1081 176.0690 44 T 4.2082 7.9993 110.9137 61.5976 69.7224 175.8540 45 G 3.7329 8.4414 109.3893 46.1112 0.0000 172.9540 46 T 4.6072 7.0706 107.6461 58.8698 71.3343 174.1852 47 R 3.7247 8.2723 120.1696 56.2825 30.5955 177.5178 48 A 3.9557 8.6551 123.6807 55.5919 18.7131 179.7234 49 K 3.8410 8.1512 115.8742 60.0977 31.9068 177.8102 50 Y 4.3917 7.1213 115.8248 61.4175 37.8368 178.6196 51 Q 3.9556 7.6894 119.8872 58.6960 29.0007 178.2849 52 R 3.8817 8.0562 118.4364 59.7199 30.2558 178.5871 53 Q 4.1109 7.8179 117.4837 59.0892 28.8747 179.1727 54 L 3.9195 8.1024 121.0024 58.0044 41.9140 178.4886 55 A 3.9577 7.7008 119.4571 55.3974 18.3885 179.1628 56 R 4.0038 7.3828 113.4132 59.6028 30.4283 178.6424 57 A 4.2110 7.9045 119.3143 55.4945 18.5837 179.2015 58 I 3.7107 7.5767 117.5484 65.0086 37.0299 178.4815 59 K 3.9446 8.0140 117.2569 59.5660 31.7526 178.9174 60 R 4.2718 8.2204 117.5515 59.6673 30.1511 178.4983 61 A 4.2864 7.9223 120.2043 55.4513 18.3425 179.9412 62 R 3.8213 7.6857 117.1527 58.9371 29.8175 178.3582 63 Y 4.7551 7.2073 112.5342 58.3237 38.1623 176.0188 64 L 4.6765 7.4004 117.3190 54.3311 42.4149 176.7950 65 S 3.9889 8.1158 113.1675 59.7608 60.3359 171.3230 66 L 4.6622 8.0025 120.1084 54.2308 44.2891 176.7503 67 L 4.7433 7.2644 117.1741 51.7990 44.9626 173.7862 68 P 4.2105 0.0000 0.0000 62.2548 31.9759 176.5761 69 Y 4.1082 7.9637 121.1401 61.0193 38.1484 176.4640 70 T 4.7085 7.3372 106.3404 60.3945 71.7124 173.3986 71 D 4.4980 8.7278 123.2373 57.5135 41.3798 179.1652 72 R 3.8944 8.2221 117.2910 58.8096 30.3398 175.9579 73 H 4.4957 7.6630 120.4505 56.1177 29.8508 173.6452 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 8.44 4.39 0.00 2.03 2.34 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 2.27 2.35 0.00 20 I 7.53 4.34 1.93 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 1.50 0.94 0.96 0.00 0.00 21 D 8.35 4.92 0.00 2.64 2.48 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 22 Y 7.94 4.87 0.00 3.19 3.06 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 23 K 7.69 4.24 0.00 1.58 1.25 0.00 0.96 0.00 0.00 1.47 0.00 0.00 2.64 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.11 1.12 7.81 24 D 7.69 4.69 0.00 2.62 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 25 I 8.51 3.74 1.83 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 1.53 1.30 0.87 0.00 0.00 26 A 8.26 3.89 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 27 T 7.73 3.57 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 1.19 0.00 0.00 28 L 7.33 4.08 0.00 1.88 1.77 0.93 0.98 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 29 K 7.39 4.10 0.00 1.80 1.81 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.58 7.81 30 N 7.37 4.74 0.00 2.04 2.39 0.00 0.00 6.75 7.03 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 31 Y 7.55 5.16 0.00 3.05 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 32 I 7.87 5.02 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 1.38 0.74 0.90 0.00 0.00 33 T 8.75 4.47 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 1.25 0.00 0.00 34 E 8.72 4.47 0.00 1.95 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 2.24 2.36 0.00 35 S 7.49 5.06 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.17 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 0.00 0.00 0.00 37 K 7.87 4.86 0.00 1.72 1.68 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.50 7.81 38 I 8.22 4.45 1.87 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 1.23 0.54 0.91 0.00 0.00 39 V 8.00 4.30 2.15 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 0.84 0.00 0.00 0.96 0.00 0.00 40 P 0.00 4.42 0.00 2.07 1.95 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 41 S 9.40 4.67 0.00 4.04 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 42 R 7.85 4.44 0.00 1.93 2.06 0.00 2.97 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 43 I 7.62 4.43 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 1.63 0.74 0.91 0.00 0.00 44 T 8.00 4.21 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 1.23 0.00 0.00 45 G 8.44 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.07 4.61 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 R 8.27 3.72 0.00 0.67 1.37 0.00 2.31 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 0.00 48 A 8.66 3.96 1.25 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 0.00 0.00 0.00 49 K 8.15 3.84 0.00 1.71 1.61 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.53 7.81 50 Y 7.12 4.39 0.00 3.24 2.68 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 0.00 0.00 0.00 0.00 51 Q 7.69 3.96 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 52 R 8.06 3.88 0.00 2.10 1.99 0.00 3.31 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 53 Q 7.82 4.11 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 54 L 8.10 3.92 0.00 1.69 1.83 0.82 1.14 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 55 A 7.70 3.96 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 7.38 4.00 0.00 2.04 2.04 0.00 3.18 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 57 A 7.90 4.21 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.58 3.71 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.25 0.90 0.00 0.00 59 K 8.01 3.94 0.00 1.84 2.09 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.52 1.58 7.81 60 R 8.22 4.27 0.00 1.97 1.93 0.00 2.49 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 61 A 7.92 4.29 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 62 R 7.69 3.82 0.00 1.37 1.04 0.00 2.91 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 63 Y 7.21 4.76 0.00 3.22 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 64 L 7.40 4.68 0.00 1.84 1.69 1.04 0.87 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 65 S 8.12 3.99 0.00 4.10 4.03 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 66 L 8.00 4.66 0.00 1.73 1.62 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.26 4.74 0.00 1.42 1.36 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.21 0.00 1.98 2.00 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 69 Y 7.96 4.11 0.00 2.99 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 70 T 7.34 4.71 4.30 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 1.28 0.00 0.00 71 D 8.73 4.50 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.22 3.89 0.00 1.84 2.02 0.00 3.19 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 73 H 7.66 4.50 0.00 3.02 3.25 0.00 5.78 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