NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 W 4.7430 8.2593 120.6056 56.8796 30.4492 174.0087 20 S 4.4812 8.3901 115.3939 56.2815 65.6308 171.4458 21 L 4.6224 8.6223 122.2154 53.2280 44.3350 176.4611 22 R 4.3774 8.6332 127.0982 54.5033 30.9758 175.1558 23 W 5.3755 7.6268 121.2186 54.7687 31.5000 174.3304 24 R 4.7657 8.4429 114.3265 54.7771 31.8509 174.4708 25 M 4.4233 8.8282 120.7045 55.1158 32.8538 176.1484 26 Q 4.1938 8.7754 124.7273 57.6734 29.8634 175.8202 27 K 4.4764 7.8155 117.9996 54.7495 34.7399 174.6153 28 S 4.7929 8.7130 120.8574 56.5869 64.5170 172.5983 29 T 4.7628 8.2001 115.7699 60.5669 71.7915 173.3292 30 T 4.4260 8.2217 108.2272 61.1869 69.1942 174.0485 31 I 3.7101 7.7521 123.7612 62.1185 36.7486 175.3538 32 A 4.5088 8.4684 127.3835 51.7905 19.0819 177.4922 33 A 4.3315 7.6681 122.3441 52.3073 16.6800 176.4692 34 I 4.5319 7.6293 119.4532 59.0141 41.0019 175.8252 35 A 4.0921 8.6153 127.7675 52.1158 18.8097 177.0866 36 G 3.9476 8.2344 109.3889 45.1275 0.0000 171.1317 37 C 4.8195 8.0892 112.7403 54.5066 44.4969 173.0219 38 S 4.7145 8.4217 115.6171 57.9825 64.1922 174.4392 39 G 3.8680 8.6764 109.9911 46.2055 0.0000 174.0954 40 A 3.9407 7.9280 120.1966 51.5746 19.4927 178.1409 41 A 3.8450 8.1863 125.1406 52.5000 18.8689 177.9781 42 T 4.5276 8.2172 109.2083 59.9121 69.7621 173.9197 43 F 4.6397 7.1453 118.1773 56.2713 39.4085 174.9631 44 G 4.2237 9.8587 106.3566 46.7980 0.0000 174.4035 45 G 3.8891 8.5178 104.0963 45.5112 0.0000 174.4323 46 L 4.3773 7.8495 119.8733 53.7246 43.0424 176.2216 47 A 4.5993 7.7215 120.5918 51.6171 19.9353 177.3728 48 G 3.5413 8.5015 112.4701 47.4015 0.0000 173.4810 49 G 4.1627 8.4165 109.8025 44.9931 0.0000 173.5215 50 I 3.6332 8.2786 118.0363 64.5746 36.8454 178.5462 51 V 3.6164 7.7951 118.5071 65.9410 31.3904 178.0947 52 G 3.4668 7.8321 105.0327 47.8958 0.0000 175.0399 53 C 4.2869 8.1794 118.8904 59.8198 41.4375 176.2915 54 I 3.6076 7.9775 121.3283 64.2714 36.6030 178.3106 55 A 4.0014 8.3268 121.7786 55.1907 18.3239 179.5093 56 A 4.1694 8.2076 119.4110 55.1974 18.5315 180.1763 57 G 3.5280 8.0794 104.1684 47.9828 0.0000 176.0101 58 I 3.7408 7.8960 122.7374 63.8746 37.1485 178.0590 59 L 3.9424 8.2642 121.1397 58.4224 41.9091 178.9907 60 A 3.9999 7.9463 120.1147 55.1679 18.2682 179.7549 61 I 3.6042 7.6500 118.1277 64.3904 36.9936 178.5956 62 L 4.3172 8.0506 119.0520 58.1065 41.7295 179.3516 63 Q 4.3259 8.3982 118.1706 58.6748 28.3506 178.9676 64 G 3.3853 7.6639 106.1394 47.7240 0.0000 175.3908 65 F 4.6507 8.0048 118.8117 58.5518 38.9214 177.1782 66 E 2.0000 7.2749 119.4174 58.6682 29.1647 179.4857 67 V 3.4695 7.2884 118.2700 64.9371 31.2110 177.9907 68 N 4.7634 8.2872 116.4232 54.5594 38.7270 176.9030 69 W 4.6183 7.6427 113.7738 58.3907 29.1917 177.3521 70 H 4.6367 7.9132 116.4275 58.1080 28.1879 175.8346 71 N 4.7977 8.4970 113.5021 52.3090 40.3065 174.7406 72 G 3.8055 8.0103 104.5800 44.9400 0.0000 172.9429 73 G 3.9080 10.1370 104.8696 45.2293 0.0000 171.5417 74 G 4.0980 7.1903 104.7641 46.5263 0.0000 171.8450 75 G 4.0192 7.8833 106.7837 45.7185 0.0000 170.5693 76 D 5.0626 8.2871 119.2897 52.5420 42.4519 176.2761 77 R 4.6293 8.5672 122.6807 54.2183 33.2067 174.7207 78 S 4.7917 8.0527 113.8716 56.9224 66.4043 172.6138 79 N 4.7924 8.1636 116.7529 51.6583 41.4746 172.3124 80 P 4.4599 0.0000 0.0000 62.8327 32.1808 176.7711 81 V 4.0148 7.9695 119.5530 62.0736 31.3976 174.9757 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 W 8.26 4.74 0.00 3.26 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.39 4.48 0.00 4.04 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 21 L 8.62 4.62 0.00 1.68 1.77 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.63 4.38 0.00 1.76 1.79 0.00 3.16 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 23 W 7.63 5.38 0.00 3.56 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 24 R 8.44 4.77 0.00 1.90 1.86 0.00 3.04 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 25 M 8.83 4.42 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.80 0.00 26 Q 8.78 4.19 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 27 K 7.82 4.48 0.00 1.71 1.64 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.42 7.81 28 S 8.71 4.79 0.00 3.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.20 4.76 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 1.22 0.00 0.00 30 T 8.22 4.43 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 1.22 0.00 0.00 31 I 7.75 3.71 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 1.23 0.54 0.91 0.00 0.00 32 A 8.47 4.51 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 33 A 7.67 4.33 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 4.53 1.85 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 1.33 0.70 0.89 0.00 0.00 35 A 8.62 4.09 1.23 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 0.00 0.00 36 G 8.23 3.95 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 0.00 0.00 0.00 37 C 8.09 4.82 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.42 4.71 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.68 3.87 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 0.00 0.00 0.00 40 A 7.93 3.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.19 3.85 0.23 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 0.00 0.00 42 T 8.22 4.53 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 43 F 7.15 4.64 0.00 3.21 3.28 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 0.00 44 G 9.86 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 0.00 0.00 0.00 0.00 45 G 8.52 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 46 L 7.85 4.38 0.00 1.64 1.45 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.72 4.60 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.50 3.54 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 0.00 49 G 8.42 4.16 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 0.00 0.00 0.00 50 I 8.28 3.63 1.84 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 1.50 0.87 0.88 0.00 0.00 51 V 7.80 3.62 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 1.07 0.00 0.00 0.90 0.00 0.00 52 G 7.83 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 0.00 0.00 0.00 53 C 8.18 4.29 0.00 3.13 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.98 3.61 1.95 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 1.42 0.77 0.86 0.00 0.00 55 A 8.33 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.17 1.40 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 57 G 8.08 3.53 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 0.00 0.00 0.00 0.00 58 I 7.90 3.74 2.04 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 1.40 0.73 0.94 0.00 0.00 59 L 8.26 3.94 0.00 1.97 1.92 0.64 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.95 4.00 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 61 I 7.65 3.60 2.05 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 1.47 0.94 1.09 0.00 0.00 62 L 8.05 4.32 0.00 1.85 1.91 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.40 4.33 0.00 2.04 2.06 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 2.32 2.52 0.00 64 G 7.66 3.39 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 0.00 65 F 8.00 4.65 0.00 3.22 3.15 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 66 E 7.27 2.00 0.00 1.59 1.28 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 1.79 2.06 0.00 67 V 7.29 3.47 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 0.81 0.00 0.00 0.87 0.00 0.00 68 N 8.29 4.76 0.00 3.20 3.26 0.00 0.00 6.47 7.78 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 69 W 7.64 4.62 0.00 3.41 3.41 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 70 H 7.91 4.64 0.00 3.25 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.50 4.80 0.00 2.81 2.84 0.00 0.00 7.36 7.75 0.00 0.00 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 G 8.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 10.14 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 74 G 7.19 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.88 4.02 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 0.00 0.00 0.00 76 D 8.29 5.06 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.57 4.63 0.00 1.37 1.49 0.00 2.21 0.00 0.00 2.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 0.00 78 S 8.05 4.79 0.00 3.90 3.78 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 79 N 8.16 4.79 0.00 2.62 2.67 0.00 0.00 6.99 7.69 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 80 P 0.00 4.46 0.00 2.07 1.96 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 81 V 7.97 4.01 2.07 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 0.69 0.00 0.00 0.94 0.00 0.00