NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.3990 8.3349 116.8056 56.7671 65.0704 173.7601 16 I 4.2176 7.9333 135.0000 59.2420 37.0484 172.8782 17 R 4.5314 9.3427 126.2289 54.1977 32.0444 175.2233 18 L 3.4777 8.1264 125.3728 52.6129 43.0193 175.2449 19 P 4.1948 0.0000 0.0000 62.5534 32.1534 177.2072 20 A 3.9469 8.8574 124.9196 55.8257 18.3452 179.4724 21 H 4.1961 8.2634 113.6827 58.7377 30.0012 175.6449 22 L 4.4332 7.6247 117.2939 54.6583 41.4249 176.7984 23 R 4.3759 7.7999 116.7120 56.1524 29.8665 176.5244 24 L 4.5276 7.6301 119.1389 53.9853 42.2958 176.2035 25 Q 3.8362 8.6252 117.7874 55.5050 29.1978 175.8301 26 P 2.0000 0.0000 0.0000 64.9295 31.3377 178.0809 27 I 3.5789 7.1062 116.2533 63.8379 37.6444 175.8533 28 Y 4.6576 7.8109 116.4866 58.5758 38.4723 176.0287 29 W 4.6296 8.3333 121.5109 57.4410 29.7309 176.1591 30 S 4.8340 9.9471 119.1071 56.9076 65.7234 175.5042 31 R 4.4741 8.4633 121.2980 59.0577 29.6085 178.7386 32 D 4.3664 8.0990 116.9880 57.3631 41.3218 177.6523 33 D 4.2076 8.0434 119.5114 57.3558 40.7641 179.0304 34 V 3.7120 8.1287 118.5257 65.9803 31.4108 177.8535 35 A 4.0768 8.1272 120.5393 55.2987 18.1213 179.6863 36 Q 3.9632 8.3297 116.7897 58.9452 28.7734 178.6226 37 W 4.2356 8.4957 129.7105 60.6633 30.5652 177.9790 38 L 3.4924 8.2288 118.9210 57.3161 40.9591 179.6989 39 K 3.9195 7.7225 118.5814 59.0639 31.9757 179.0991 40 W 4.0488 8.4184 128.6145 60.4196 30.5847 177.7501 41 A 3.5286 8.1020 120.7190 54.9978 17.8494 179.0886 42 E 3.7671 7.8989 117.7631 59.3550 29.5144 178.6509 43 N 4.0748 7.8501 116.8560 56.7343 38.9083 176.4017 44 E 3.3546 7.8116 120.1116 58.1225 29.3529 177.3604 45 F 4.5541 7.6371 114.8425 56.2380 39.5359 175.4373 46 S 3.6377 7.4419 115.0461 59.4691 60.7023 172.6090 47 L 4.3400 7.7388 118.4804 53.6051 42.6713 177.3165 48 R 4.1273 8.0978 120.3031 55.1873 30.7363 174.4250 49 P 4.8909 0.0000 0.0000 62.2728 31.7929 175.9869 50 I 4.4348 8.1008 123.0499 59.3980 39.0954 174.6807 51 D 4.6574 8.6013 125.3310 53.4112 42.0031 177.1806 52 S 4.4347 8.7534 121.8779 60.9738 62.9006 175.9024 53 N 4.5433 8.2187 119.9622 55.3751 37.2026 176.5221 54 T 3.9972 7.5786 110.8639 62.7273 70.1631 174.2902 55 F 4.8698 7.8801 119.8968 56.7254 39.9768 176.6236 56 E 4.4124 7.9252 122.9068 54.4880 28.3894 174.1622 57 M 4.7640 7.5792 119.1883 54.0551 34.8117 174.6252 58 N 5.2360 8.4417 117.2714 51.2704 39.9514 175.8534 59 G 3.6458 9.2960 104.5894 47.9881 0.0000 175.8462 60 K 3.8759 8.1070 119.4147 59.5774 32.4109 178.5365 61 D 4.5363 8.2774 118.4445 56.8389 40.4972 178.5757 62 L 4.0736 8.0671 121.0404 58.0808 41.9566 178.4664 63 L 4.2663 8.0483 115.9225 55.9252 41.5852 177.3887 64 L 4.5013 7.5428 118.4517 55.4670 42.8419 177.3569 65 L 4.3436 7.5163 117.7926 55.0408 42.1854 176.4974 66 T 4.6493 9.2831 111.6345 59.6491 71.1404 175.4745 67 K 3.2468 7.7008 122.5080 59.7423 31.7781 178.3436 68 E 3.9576 7.9854 118.7151 59.0257 29.5489 178.3429 69 D 4.4772 8.4356 119.7523 57.1860 40.8960 178.6609 70 F 4.2399 8.3986 117.9793 60.5349 38.6219 177.5379 71 R 4.1356 8.4787 118.0344 59.6056 29.6878 178.3601 72 Y 4.2212 7.8584 117.6385 61.0474 38.9975 178.1173 73 R 3.8357 7.9090 117.6593 57.8101 30.7226 176.9309 74 S 4.4691 8.7522 113.5134 55.9915 63.3056 172.1262 75 P 4.3911 0.0000 0.0000 64.4561 31.3796 177.5278 76 H 4.7315 8.1262 113.5895 56.7874 29.6986 175.9101 77 S 4.6797 7.9813 110.3027 56.8468 64.7035 175.7702 78 G 4.0228 8.7648 110.6857 48.5301 0.0000 175.8323 79 D 4.4201 8.1086 121.2710 56.1132 39.4983 178.4253 80 V 3.4396 7.7848 119.3293 65.8219 31.4789 177.8804 81 L 3.8767 7.9841 118.5009 57.6120 41.3809 179.0127 82 Y 3.1935 7.5871 119.5081 60.5699 38.8087 177.7177 83 E 3.8477 8.6974 119.8162 59.1047 29.4735 179.2216 84 L 3.8879 8.0819 120.8412 58.0670 42.2788 178.7668 85 L 3.9317 8.0233 120.2927 58.0981 41.8619 179.0043 86 Q 3.7590 7.7770 117.9489 59.3196 28.6787 178.4205 87 H 4.1093 8.2718 117.1284 59.0087 28.4746 177.9676 88 I 3.8895 7.6695 120.7948 64.0889 36.9114 178.3316 89 L 4.0453 7.5385 121.5146 58.2142 41.6259 179.8931 90 K 4.0645 8.0032 122.5550 59.7105 31.7824 178.3755 91 Q 4.3221 8.2566 125.0468 56.3761 28.9386 176.1889 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 15 S 8.33 4.40 0.00 3.96 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 16 I 7.93 4.22 2.06 0.00 0.00 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 1.48 0.39 1.33 0.00 0.00 17 R 9.34 4.53 0.00 1.82 1.95 0.00 3.27 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 18 L 8.13 3.48 0.00 1.48 1.19 1.02 0.19 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 19 P 0.00 4.19 0.00 2.02 1.92 0.00 2.88 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 20 A 8.86 3.95 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 21 H 8.26 4.20 0.00 3.08 3.31 0.00 5.73 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 22 L 7.62 4.43 0.00 1.41 1.29 0.61 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.80 4.38 0.00 1.99 1.96 0.00 3.14 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 24 L 7.63 4.53 0.00 1.89 1.78 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.63 3.84 0.00 1.89 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 26 P 0.00 2.00 0.00 1.43 0.63 0.00 3.17 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.00 27 I 7.11 3.58 1.45 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.36 -0.27 0.00 0.00 28 Y 7.81 4.66 0.00 3.15 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 29 W 8.33 4.63 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.95 4.83 0.00 4.04 4.09 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 31 R 8.46 4.47 0.00 1.97 2.10 0.00 3.51 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 32 D 8.10 4.37 0.00 2.81 2.69 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 0.00 0.00 0.00 0.00 33 D 8.04 4.21 0.00 2.97 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 0.00 0.00 0.00 0.00 34 V 8.13 3.71 2.50 0.00 0.00 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 0.00 0.00 1.29 0.00 0.00 35 A 8.13 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 3.96 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 37 W 8.50 4.24 0.00 2.59 3.21 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 0.00 38 L 8.23 3.49 0.00 1.83 1.55 0.97 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.72 3.92 0.00 1.87 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.60 7.81 40 W 8.42 4.05 0.00 3.37 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.53 0.97 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 0.00 0.00 42 E 7.90 3.77 0.00 1.97 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 2.23 2.47 0.00 43 N 7.85 4.07 0.00 2.77 2.70 0.00 0.00 6.87 7.79 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 44 E 7.81 3.35 0.00 1.16 1.12 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 1.47 1.47 0.00 45 F 7.64 4.55 0.00 2.93 2.91 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 46 S 7.44 3.64 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.74 4.34 0.00 1.56 1.56 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.10 4.13 0.00 1.73 1.81 0.00 3.25 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 49 P 0.00 4.89 0.00 2.08 1.97 0.00 3.73 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 50 I 8.10 4.43 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 1.03 0.00 0.00 51 D 8.60 4.66 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.75 4.43 0.00 4.18 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 0.00 53 N 8.22 4.54 0.00 2.94 3.01 0.00 0.00 6.99 7.05 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 54 T 7.58 4.00 3.79 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 0.00 0.00 0.00 1.11 0.00 0.00 55 F 7.88 4.87 0.00 3.08 3.10 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 56 E 7.93 4.41 0.00 1.96 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 2.33 2.27 0.00 57 M 7.58 4.76 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.72 0.00 58 N 8.44 5.24 0.00 3.30 3.10 0.00 0.00 5.80 6.93 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 59 G 9.30 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.11 3.88 0.00 1.92 1.89 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.66 7.81 61 D 8.28 4.54 0.00 2.81 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 62 L 8.07 4.07 0.00 2.04 1.81 1.22 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.05 4.27 0.00 1.66 1.62 0.72 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.54 4.50 0.00 1.82 1.74 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.52 4.34 0.00 1.82 1.63 0.56 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 T 9.28 4.65 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 1.24 0.00 0.00 67 K 7.70 3.25 0.00 0.79 1.45 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.32 7.81 68 E 7.99 3.96 0.00 2.08 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 2.35 2.44 0.00 69 D 8.44 4.48 0.00 2.98 2.69 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 0.00 0.00 0.00 0.00 70 F 8.40 4.24 0.00 3.42 3.34 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 71 R 8.48 4.14 0.00 2.03 2.07 0.00 3.32 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 72 Y 7.86 4.22 0.00 2.95 3.18 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 0.00 73 R 7.91 3.84 0.00 1.53 1.13 0.00 2.76 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.38 0.00 74 S 8.75 4.47 0.00 4.04 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 75 P 0.00 4.39 0.00 1.96 2.05 0.00 3.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 76 H 8.13 4.73 0.00 3.17 3.34 0.00 5.64 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 77 S 7.98 4.68 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 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 79 D 8.11 4.42 0.00 2.95 2.97 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 80 V 7.78 3.44 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 0.76 0.00 0.00 0.84 0.00 0.00 81 L 7.98 3.88 0.00 1.95 1.81 0.90 0.11 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 82 Y 7.59 3.19 0.00 2.63 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 83 E 8.70 3.85 0.00 1.85 1.91 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 2.61 2.46 0.00 84 L 8.08 3.89 0.00 1.57 1.96 1.35 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.02 3.93 0.00 1.92 1.58 0.41 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.78 3.76 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 1.82 2.05 0.00 87 H 8.27 4.11 0.00 3.35 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.67 3.89 1.95 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.86 0.79 0.00 0.00 89 L 7.54 4.05 0.00 1.68 1.59 0.75 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.00 4.06 0.00 1.83 1.73 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.32 7.81 91 Q 8.26 4.32 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00