NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 H 4.7140 8.4444 117.8380 54.3500 31.0228 174.5100 58 M 4.4611 7.5055 118.0886 52.4270 35.0422 174.6662 59 R 4.7384 9.1980 114.7234 55.7743 32.3287 174.3996 60 K 5.1446 8.0567 119.7266 55.2831 34.5008 175.3720 61 I 5.1268 8.6078 116.7988 59.0166 41.6275 173.7397 62 L 4.9229 9.1539 125.0372 53.3759 45.1570 174.9908 63 I 4.6640 8.3120 127.0674 60.0011 39.1842 174.9793 64 R 4.7014 8.9387 124.9672 55.2501 33.8267 176.5821 65 G 4.0600 8.8732 109.7971 45.3047 0.0000 173.7743 66 L 4.0944 7.4140 118.8945 53.4794 42.1369 175.4729 67 P 4.3754 0.0000 0.0000 62.6068 31.9634 177.1594 68 G 3.6820 8.6429 109.8948 48.5959 0.0000 174.2555 69 D 4.8077 7.7885 117.9832 52.8650 40.0245 176.8501 70 V 3.7363 7.6867 119.1104 62.6752 32.0659 175.6167 71 T 4.6263 7.8925 112.0737 59.6625 73.0024 174.8229 72 N 4.4042 8.4607 118.8352 56.4196 38.5078 177.0044 73 Q 3.8616 8.1152 120.5084 59.7279 29.1116 178.7269 74 E 3.9024 7.9323 118.9098 59.3556 29.4053 179.7181 75 V 3.5576 8.1067 118.8079 66.1135 31.5059 177.8528 76 H 4.1911 8.2029 115.4824 58.8541 28.3377 177.3535 77 D 4.4910 8.2876 120.5416 56.8733 40.7282 178.1476 78 L 3.9223 7.4710 119.9315 57.5168 43.0653 179.2792 79 L 4.9514 7.8777 119.1525 54.4348 41.0955 178.4773 80 S 4.4853 7.9620 112.4823 59.9424 63.6996 174.5682 81 D 4.5322 8.0579 119.6804 54.4194 40.8058 174.9789 82 Y 4.7080 7.5954 115.8628 56.1227 41.9710 174.3573 83 E 4.5143 8.8546 121.9774 54.8959 30.8541 174.6237 84 L 4.4899 8.5167 128.1582 54.5265 41.7948 177.2706 85 K 4.4399 9.3737 124.2146 57.9795 33.3103 176.5890 86 Y 4.9902 7.7658 120.0313 56.4832 42.5364 173.4525 87 C 4.7063 7.6560 126.0557 58.1953 34.5393 172.6899 88 F 4.6325 9.0483 129.2517 56.4011 41.8916 173.4112 89 V 4.1774 7.6730 126.3286 61.2378 33.1948 174.6144 90 D 4.5194 8.8999 128.7121 52.5607 41.1833 176.9531 91 K 4.0073 8.5830 126.6093 59.2939 32.4106 178.4047 92 Y 4.1498 8.1966 118.5473 59.2768 38.8896 175.8289 93 K 4.1838 8.0920 116.0005 54.9531 33.8237 175.7860 94 G 3.9529 8.2048 107.8457 46.7163 0.0000 173.0517 95 T 5.6189 7.9457 107.5577 58.3158 72.0302 172.5435 96 A 5.0428 8.2632 125.4530 50.1570 22.8788 175.3659 97 F 4.8224 9.3688 118.6105 55.9188 41.7366 174.5436 98 V 4.9424 8.4124 123.6050 61.4649 34.5882 174.5984 99 T 4.9387 8.9982 121.5534 62.0003 71.6606 173.8600 100 L 5.0089 8.9969 126.9801 52.1851 43.6175 176.5329 101 L 4.2534 8.4762 122.2833 58.4400 42.5290 176.2260 102 N 4.7114 7.8111 113.2234 50.9390 40.0054 174.7592 103 G 3.6599 8.6849 103.9600 47.3913 0.0000 175.3166 104 E 3.9432 8.2177 121.0978 59.1368 29.8018 178.5087 105 Q 4.1211 8.5008 117.8597 59.2888 29.0204 179.1578 106 A 3.9299 8.0251 121.2889 54.7099 18.2550 179.4586 107 E 3.7926 7.9706 117.5183 59.4878 29.8563 178.7247 108 A 4.0032 8.1375 120.6436 55.0891 18.4220 179.4305 109 A 3.6325 7.8363 119.2103 55.2339 18.3569 179.9874 110 I 3.6821 7.4523 117.8695 64.6997 36.9744 178.5413 111 N 4.3344 8.3876 116.3847 56.1036 38.3973 177.1148 112 A 3.9725 8.2287 122.0105 53.9105 18.5257 178.0440 113 F 4.9895 7.6974 112.5611 57.3764 40.4563 174.9252 114 H 4.3660 8.3322 122.0810 57.5312 29.4538 174.8800 115 Q 4.0638 9.4677 127.0067 55.6604 26.9170 173.7878 116 S 4.5660 7.6818 113.5376 57.5410 64.5794 172.6699 117 R 4.9896 8.2746 119.1280 54.1859 31.8655 175.5737 118 L 4.4939 8.8227 124.5317 54.1747 43.9456 176.6441 119 R 3.6514 9.6653 127.1919 57.5317 27.6033 176.7497 120 E 4.0082 8.4322 112.8861 56.1717 27.4415 174.8036 121 R 4.6597 7.9357 118.9409 54.0778 33.1642 174.6290 122 E 4.6154 8.8089 125.1116 56.0412 30.4123 175.6486 123 L 4.8720 9.4289 127.9167 53.3543 44.6667 175.9803 124 S 4.6637 8.8573 117.1384 56.7353 64.6937 172.4225 125 V 4.8193 8.2973 125.7272 61.6510 32.8083 174.6252 126 Q 4.6421 8.4219 124.0663 54.8112 32.5301 173.4032 127 L 4.4112 8.4251 120.3836 54.5975 42.2517 176.5403 128 Q 3.9928 8.4897 125.3917 55.8046 29.5840 174.3876 129 P 4.1654 0.0000 0.0000 63.7835 31.0480 176.2128 130 T 4.1949 8.4409 118.7424 63.4846 68.7188 174.5180 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 57 H 8.44 4.71 0.00 3.17 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 M 7.51 4.46 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 59 R 9.20 4.74 0.00 2.08 2.20 0.00 3.38 0.00 0.00 3.44 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 60 K 8.06 5.14 0.00 1.79 2.03 0.00 1.63 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.46 7.81 61 I 8.61 5.13 1.85 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 1.10 0.78 0.89 0.00 0.00 62 L 9.15 4.92 0.00 1.50 1.45 0.19 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.31 4.66 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.80 0.00 0.00 64 R 8.94 4.70 0.00 1.68 1.72 0.00 3.08 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 65 G 8.87 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 66 L 7.41 4.09 0.00 1.68 1.54 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.38 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 68 G 8.64 3.68 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 0.00 0.00 0.00 69 D 7.79 4.81 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 3.74 2.16 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 0.73 0.00 0.00 0.86 0.00 0.00 71 T 7.89 4.63 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 1.18 0.00 0.00 72 N 8.46 4.40 0.00 2.71 2.92 0.00 0.00 6.40 7.74 0.00 0.00 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 Q 8.12 3.86 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 74 E 7.93 3.90 0.00 2.04 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 2.30 2.30 0.00 75 V 8.11 3.56 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 0.90 0.00 0.00 0.88 0.00 0.00 76 H 8.20 4.19 0.00 3.30 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.29 4.49 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 3.92 0.00 1.62 1.65 0.34 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.88 4.95 0.00 1.83 1.85 0.84 0.31 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 80 S 7.96 4.49 0.00 4.00 4.08 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 0.00 0.00 0.00 81 D 8.06 4.53 0.00 2.52 1.90 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 82 Y 7.60 4.71 0.00 2.97 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 83 E 8.85 4.51 0.00 2.11 1.92 0.00 0.00 0.00 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 2.37 0.00 84 L 8.52 4.49 0.00 1.59 1.60 0.72 1.01 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 85 K 9.37 4.44 0.00 1.78 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.58 7.81 86 Y 7.77 4.99 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 C 7.66 4.71 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 9.05 4.63 0.00 2.90 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 89 V 7.67 4.18 2.05 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 0.66 0.00 0.00 0.79 0.00 0.00 90 D 8.90 4.52 0.00 2.95 2.72 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 91 K 8.58 4.01 0.00 1.80 1.84 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 92 Y 8.20 4.15 0.00 2.98 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 93 K 8.09 4.18 0.00 1.80 1.79 0.00 1.97 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.69 1.58 7.81 94 G 8.20 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 95 T 7.95 5.62 4.08 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 0.00 0.00 1.22 0.00 0.00 96 A 8.26 5.04 1.09 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 0.00 0.00 97 F 9.37 4.82 0.00 3.25 3.25 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 98 V 8.41 4.94 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 1.05 0.00 0.00 0.87 0.00 0.00 99 T 9.00 4.94 4.58 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 0.00 0.00 0.00 1.28 0.00 0.00 100 L 9.00 5.01 0.00 1.61 1.80 0.76 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.48 4.25 0.00 1.87 1.89 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.81 4.71 0.00 2.96 2.92 0.00 0.00 6.10 6.94 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 0.00 103 G 8.68 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.22 3.94 0.00 2.11 1.99 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 2.39 2.48 0.00 105 Q 8.50 4.12 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 106 A 8.03 3.93 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 0.00 107 E 7.97 3.79 0.00 2.26 2.12 0.00 0.00 0.00 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 2.35 0.00 108 A 8.14 4.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.84 3.63 1.01 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 0.00 0.00 0.00 0.00 0.00 110 I 7.45 3.68 1.98 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 1.51 0.67 0.92 0.00 0.00 111 N 8.39 4.33 0.00 2.61 2.84 0.00 0.00 7.06 7.11 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 0.00 112 A 8.23 3.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 7.70 4.99 0.00 3.22 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 8.33 4.37 0.00 3.31 3.33 0.00 5.96 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.47 4.06 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.32 1.91 0.00 116 S 7.68 4.57 0.00 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 0.00 117 R 8.27 4.99 0.00 1.80 1.86 0.00 3.30 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 118 L 8.82 4.49 0.00 1.55 1.44 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.67 3.65 0.00 1.89 1.90 0.00 3.27 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 120 E 8.43 4.01 0.00 2.11 2.19 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 2.16 2.24 0.00 121 R 7.94 4.66 0.00 1.76 1.76 0.00 3.24 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 122 E 8.81 4.62 0.00 1.96 1.82 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 2.34 2.32 0.00 123 L 9.43 4.87 0.00 1.57 1.51 0.83 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.86 4.66 0.00 3.88 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 0.00 125 V 8.30 4.82 2.23 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 0.86 0.00 0.00 1.08 0.00 0.00 126 Q 8.42 4.64 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 127 L 8.43 4.41 0.00 1.57 1.69 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.49 3.99 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 129 P 0.00 4.17 0.00 2.25 2.16 0.00 3.87 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 2.09 2.09 0.00 130 T 8.44 4.19 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 1.21 0.00 0.00