NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 68 K 4.4857 8.1576 120.0942 56.6468 35.6487 173.7080 69 I 4.9292 8.5118 119.2902 59.8808 39.5287 174.0322 70 L 5.0273 10.0623 126.2280 53.2673 46.6400 176.5481 71 T 5.0506 8.1161 116.1132 62.3612 72.0878 173.8156 72 G 4.1855 8.2636 110.3623 46.3058 0.0000 171.8165 73 T 5.1449 8.0181 108.6817 59.6920 72.4745 174.2081 74 V 4.1271 8.4131 123.8624 62.4763 31.1188 176.7917 75 V 3.7855 8.6267 122.9691 63.6968 32.4844 177.2605 76 S 4.6913 7.7911 114.6872 56.9498 64.1573 174.8626 77 T 4.2673 8.6875 115.9994 62.4118 69.6743 176.7507 78 K 3.9686 7.7491 121.7438 59.7929 32.1552 177.4308 79 M 4.3847 7.1571 114.1145 55.0160 32.8167 175.1073 80 H 4.5451 8.5761 117.1388 55.8012 30.0839 176.2928 81 R 4.7072 9.1259 121.6290 56.6096 28.8346 174.8024 82 T 5.2083 7.5673 105.0297 60.5076 72.1404 173.0245 83 I 4.8974 8.9009 122.5529 59.2941 42.3451 174.0446 84 V 4.7937 8.5583 127.5486 60.0438 33.4621 174.3797 85 I 4.8177 8.8182 120.1536 59.0395 40.3605 174.6322 86 R 4.9836 9.3407 128.1264 54.8517 31.2203 174.8101 87 R 4.8637 8.7838 124.1012 55.0831 31.5446 175.2101 88 A 5.2797 8.6104 123.4998 50.4361 21.5760 175.2563 89 Y 4.9799 8.0961 118.3243 55.3879 41.8610 174.0886 90 L 5.0078 8.1776 120.1908 53.4882 45.4962 175.0089 91 H 4.6402 7.0832 115.0375 55.1129 32.3111 172.1681 92 Y 5.2051 8.5066 118.1818 56.2475 39.2578 174.9749 93 I 4.1460 8.7084 118.3434 59.5040 38.8402 174.7991 94 P 4.3333 0.0000 0.0000 66.1242 30.7336 177.6713 95 K 3.9659 7.6765 117.1599 59.0280 32.6894 178.0165 96 Y 4.1178 7.6080 115.9358 59.3615 38.2205 177.5122 97 N 4.7158 8.8026 114.5751 53.2027 37.2456 174.4053 98 R 4.2104 7.5730 118.8323 56.5682 31.6735 174.8952 99 Y 5.0118 8.6323 125.6619 56.8905 39.5598 174.2232 100 E 4.8298 8.5409 126.8981 54.1731 32.9086 175.2486 101 K 4.7295 8.3042 121.2637 55.1936 35.0914 175.4345 102 R 4.5924 7.9046 121.5621 54.6645 34.9737 173.5301 103 H 5.2500 8.1780 115.5635 53.6696 31.9416 172.5781 104 K 4.8386 9.1388 117.6529 55.4312 36.4308 174.4397 105 N 5.4502 8.7547 118.2811 51.6436 40.8296 174.3968 106 V 4.4125 8.8141 122.9253 60.4161 34.9697 172.6087 107 P 5.0069 0.0000 0.0000 62.2618 32.1371 175.6979 108 V 4.7749 9.1336 124.3197 61.1104 34.8219 173.8716 109 H 4.9161 9.3178 127.7885 55.9926 31.1478 174.2716 110 V 4.4139 9.1012 126.2387 60.2201 32.8194 176.8501 111 S 4.0249 8.7547 122.5258 61.2627 63.0793 175.5270 112 P 3.9794 0.0000 0.0000 63.4901 31.2851 177.6252 113 A 3.8770 7.6320 118.5229 52.6537 16.5562 177.4298 114 F 4.6224 7.8261 115.4978 58.2874 41.2030 176.1318 115 R 4.1385 8.4029 119.9208 59.2671 30.0910 176.5046 116 V 4.3785 7.5092 115.0252 59.7082 33.8150 174.6139 117 Q 4.5659 8.0607 120.5744 53.2943 31.4702 175.3528 118 V 3.8136 7.8828 118.9919 63.2572 31.8268 176.5377 119 G 4.0064 8.4858 110.9417 45.3117 0.0000 173.7300 120 D 4.6472 7.7641 119.6347 54.1985 42.5548 175.2885 121 I 4.8809 8.2009 121.5345 60.0457 39.4337 175.2672 122 V 5.0475 8.7325 119.3493 59.7968 36.7699 174.2020 123 T 5.1274 8.7954 112.6866 60.2732 70.9055 174.0112 124 V 4.8188 9.2794 126.4216 60.2238 34.3422 175.0483 125 G 4.5325 8.9566 108.7287 44.1277 0.0000 171.7596 126 Q 3.5322 8.5186 124.5981 56.0279 29.6036 174.8251 127 C 4.7813 7.8559 125.4817 57.4145 35.4879 173.0918 128 R 4.0551 8.3636 120.2965 54.7966 30.2817 173.9647 129 P 4.4402 0.0000 0.0000 63.0458 31.5506 176.7199 130 I 3.8507 8.0411 124.6129 63.8097 37.2640 175.7797 131 S 4.5784 7.4098 110.9586 56.3560 65.5293 172.6302 132 K 4.0940 8.4214 123.0038 57.5201 32.5932 176.1438 133 T 3.4588 8.4416 119.7034 63.6982 65.5185 173.5826 134 V 4.3913 7.2292 118.8764 61.4051 33.7075 173.6955 135 R 4.5713 8.7057 126.0437 55.2922 31.7998 174.6570 136 F 5.0827 8.3163 115.2818 56.1219 43.9863 173.2042 137 N 5.3744 8.9610 119.8349 51.6577 42.6051 173.9031 138 V 4.0997 8.0704 118.1164 61.3804 31.4011 176.4457 139 V 3.8545 9.2941 127.5370 64.5583 31.8652 175.7969 140 K 4.3569 7.3007 117.7484 56.6639 36.5075 173.0521 141 V 4.4192 8.3429 120.1938 60.6388 31.8420 176.1567 142 S 4.2800 9.1292 121.7234 60.9686 62.9950 173.8742 143 A 4.1860 7.8625 125.5530 52.3793 18.2762 176.8316 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 68 K 8.16 4.49 0.00 1.78 1.74 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 I 8.51 4.93 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.94 0.00 0.00 70 L 10.06 5.03 0.00 1.47 1.51 0.79 0.54 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 71 T 8.12 5.05 4.26 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 1.28 0.00 0.00 72 G 8.26 4.19 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 0.00 73 T 8.02 5.14 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 1.20 0.00 0.00 74 V 8.41 4.13 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 0.93 0.00 0.00 0.95 0.00 0.00 75 V 8.63 3.79 2.06 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 0.63 0.00 0.00 0.98 0.00 0.00 76 S 7.79 4.69 0.00 3.82 3.62 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 77 T 8.69 4.27 4.18 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 0.00 0.00 0.00 1.16 0.00 0.00 78 K 7.75 3.97 0.00 1.79 1.92 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.56 7.81 79 M 7.16 4.38 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 80 H 8.58 4.55 0.00 3.24 3.24 0.00 5.94 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 9.13 4.71 0.00 2.02 2.00 0.00 3.30 0.00 0.00 3.39 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.57 0.00 82 T 7.57 5.21 4.27 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 1.26 0.00 0.00 83 I 8.90 4.90 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.98 0.00 0.00 84 V 8.56 4.79 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 0.75 0.00 0.00 0.92 0.00 0.00 85 I 8.82 4.82 1.84 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 1.21 0.82 0.90 0.00 0.00 86 R 9.34 4.98 0.00 1.84 1.83 0.00 2.96 0.00 0.00 2.92 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 87 R 8.78 4.86 0.00 2.09 1.99 0.00 2.87 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 88 A 8.61 5.28 1.20 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 0.00 0.00 89 Y 8.10 4.98 0.00 3.05 2.99 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 0.00 0.00 0.00 90 L 8.18 5.01 0.00 1.64 0.96 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.08 4.64 0.00 2.85 3.27 0.00 5.25 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.51 5.21 0.00 3.20 3.22 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 93 I 8.71 4.15 1.96 0.00 0.00 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 1.75 1.41 0.94 0.00 0.00 94 P 0.00 4.33 0.00 2.21 2.28 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 95 K 7.68 3.97 0.00 1.34 1.21 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.53 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.36 7.81 96 Y 7.61 4.12 0.00 3.15 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 97 N 8.80 4.72 0.00 2.96 3.11 0.00 0.00 6.98 7.47 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 98 R 7.57 4.21 0.00 2.11 1.88 0.00 3.03 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 99 Y 8.63 5.01 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 0.00 100 E 8.54 4.83 0.00 1.73 1.66 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 2.20 2.34 0.00 101 K 8.30 4.73 0.00 1.51 1.60 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.29 7.81 102 R 7.90 4.59 0.00 1.52 1.58 0.00 3.07 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 103 H 8.18 5.25 0.00 3.18 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.14 4.84 0.00 1.83 2.01 0.00 1.10 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.40 7.81 105 N 8.75 5.45 0.00 2.59 2.75 0.00 0.00 6.65 7.68 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 0.00 106 V 8.81 4.41 1.79 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 0.70 0.00 0.00 0.63 0.00 0.00 107 P 0.00 5.01 0.00 2.02 1.99 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 108 V 9.13 4.77 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 1.15 0.00 0.00 0.97 0.00 0.00 109 H 9.32 4.92 0.00 3.31 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 9.10 4.41 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 0.77 0.00 0.00 0.94 0.00 0.00 111 S 8.75 4.02 0.00 3.93 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 0.00 112 P 0.00 3.98 0.00 2.27 2.16 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 113 A 7.63 3.88 1.34 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 0.00 0.00 0.00 0.00 0.00 114 F 7.83 4.62 0.00 3.02 3.05 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 0.00 115 R 8.40 4.14 0.00 1.84 1.96 0.00 3.32 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 116 V 7.51 4.38 2.06 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 0.80 0.00 0.00 0.90 0.00 0.00 117 Q 8.06 4.57 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.02 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 118 V 7.88 3.81 2.04 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 0.66 0.00 0.00 0.95 0.00 0.00 119 G 8.49 4.01 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 0.00 120 D 7.76 4.65 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.20 4.88 1.87 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 1.34 0.67 0.95 0.00 0.00 122 V 8.73 5.05 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 0.81 0.00 0.00 0.93 0.00 0.00 123 T 8.80 5.13 4.27 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 1.23 0.00 0.00 124 V 9.28 4.82 2.09 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 0.83 0.00 0.00 1.35 0.00 0.00 125 G 8.96 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 0.00 0.00 0.00 0.00 126 Q 8.52 3.53 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.63 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 127 C 7.86 4.78 0.00 2.88 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 0.00 128 R 8.36 4.06 0.00 1.76 1.76 0.00 3.27 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 129 P 0.00 4.44 0.00 2.06 1.99 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 130 I 8.04 3.85 1.86 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 1.08 0.60 0.79 0.00 0.00 131 S 7.41 4.58 0.00 3.79 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 0.00 132 K 8.42 4.09 0.00 1.76 1.70 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.47 7.81 133 T 8.44 3.46 4.26 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 1.23 0.00 0.00 134 V 7.23 4.39 2.13 0.00 0.00 0.00 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 1.10 0.00 0.00 135 R 8.71 4.57 0.00 1.54 1.72 0.00 3.27 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 136 F 8.32 5.08 0.00 3.00 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 0.00 137 N 8.96 5.37 0.00 2.77 2.64 0.00 0.00 7.29 7.87 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 0.00 138 V 8.07 4.10 2.11 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 0.69 0.00 0.00 1.01 0.00 0.00 139 V 9.29 3.85 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 0.78 0.00 0.00 1.01 0.00 0.00 140 K 7.30 4.36 0.00 1.94 1.89 0.00 1.36 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.20 1.24 7.81 141 V 8.34 4.42 2.09 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 0.71 0.00 0.00 1.03 0.00 0.00 142 S 9.13 4.28 0.00 3.90 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 0.00 143 A 7.86 4.19 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