NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1974 8.1701 115.2428 61.3025 68.5214 173.3599 3 A 3.9193 8.4711 129.6416 52.2239 18.8412 175.4449 4 L 4.4838 8.5170 121.9747 53.0008 44.0429 175.5178 5 A 4.1722 8.2862 125.9969 51.5097 19.1149 176.8246 6 K 4.0627 8.4504 121.9996 55.6034 32.7063 175.1816 7 P 4.7126 0.0000 0.0000 60.5085 33.4339 174.7154 8 Q 3.9992 8.4865 119.6054 57.0114 28.9490 175.6667 9 M 4.7089 8.6483 122.5561 54.7399 33.4271 175.5123 10 R 4.6317 7.6677 117.6154 54.9471 33.4333 175.3827 11 G 3.9531 8.6258 106.0345 46.6837 0.0000 176.1525 12 L 4.0165 7.3316 118.8662 57.0540 41.4839 178.8681 13 L 3.8864 7.8558 119.7921 58.1809 42.2508 178.5496 14 A 3.9847 8.0413 120.2438 55.2338 18.2041 179.4877 15 R 3.8670 8.1414 117.2169 59.5399 30.2355 178.7152 16 R 3.9456 7.9108 118.6328 59.2166 29.9647 178.1779 17 L 3.9466 8.2432 120.3279 58.2082 42.2212 178.5387 18 R 3.8864 8.1348 118.6464 59.6714 29.8416 178.0580 19 F 4.1118 8.2830 119.9206 61.9028 39.5110 176.9197 20 H 4.2240 8.4480 115.5113 58.3790 28.4753 178.0757 21 I 3.6966 8.1415 122.3202 64.2750 36.9928 178.1445 22 V 3.6440 7.7762 119.2500 66.3550 31.3050 178.3603 23 G 3.4826 8.0690 104.9034 47.5680 0.0000 175.5006 24 A 4.0288 8.3454 123.5007 54.8301 18.3729 179.3754 25 F 4.0798 8.7458 119.6360 61.7636 39.3848 176.8174 26 M 3.8214 8.1161 118.2995 58.8635 31.8616 179.0495 27 V 3.5663 7.8525 117.7158 66.1084 31.6322 178.2189 28 S 4.1990 8.1415 115.0719 61.4353 62.5925 176.5704 29 L 3.9222 7.8746 121.7688 57.6601 41.3144 179.3322 30 G 3.9575 8.1970 105.8159 48.3174 0.0000 175.2048 31 F 4.2527 8.8564 123.7475 60.5995 39.4162 176.9234 32 A 3.9287 8.3111 120.4350 55.4591 18.2406 179.7055 33 T 3.7761 8.0726 114.0849 66.8074 68.6252 176.3809 34 F 4.2565 8.4337 122.6849 61.8467 39.3509 176.6116 35 Y 3.4566 8.1478 119.2118 60.1293 38.4302 177.5430 36 K 3.9444 8.6991 119.9494 59.4361 31.4475 179.0607 37 F 3.9305 8.0992 120.1454 60.7988 39.1815 176.7754 38 A 3.4916 7.7141 118.5515 52.8354 18.8673 176.8833 39 V 3.7188 7.0163 114.4828 63.8658 33.9198 177.5057 40 A 3.8339 7.2936 120.3880 55.3717 18.4603 179.4099 41 E 3.9088 8.8849 118.0349 59.1079 29.4411 179.4545 42 K 3.6841 7.1827 116.6238 59.3835 32.0782 178.7553 43 R 3.8703 7.8833 118.6998 59.4082 30.0400 178.2176 44 K 3.8797 7.7815 117.8730 59.7489 32.1539 179.1057 45 K 3.9353 8.3222 119.3064 59.2451 32.0241 178.3673 46 A 3.9113 8.3789 121.5514 55.6266 18.2232 179.1987 47 Y 3.7646 8.3690 114.5828 61.0298 37.7641 178.6005 48 A 4.1417 8.1121 120.3611 55.5306 18.7392 179.1106 49 D 4.4655 8.6089 117.4645 57.4127 40.7049 178.6391 50 F 3.8597 8.1052 119.9758 61.6692 39.6675 176.4264 51 Y 4.4174 8.3869 114.6965 59.2199 37.6228 177.6975 52 R 3.9708 7.6070 120.2048 59.1184 30.2068 177.6467 53 N 5.0091 7.8076 112.6153 52.8692 39.2919 174.0887 54 Y 4.0423 7.8012 119.5531 57.4217 39.5747 175.2459 55 D 4.5081 7.7259 125.2712 52.0302 43.1565 176.5766 56 S 3.7420 7.9775 123.6500 61.3575 63.2170 176.1818 57 M 4.1305 7.9164 121.9268 58.0245 31.8310 178.3373 58 K 3.9143 8.2851 119.7791 59.4528 32.4251 178.0515 59 D 4.3911 7.9916 118.2794 57.6424 41.0792 178.0859 60 F 4.3907 8.7954 121.2790 61.5822 39.2286 176.9572 61 E 3.5885 8.3451 118.1757 59.2451 29.3787 179.1363 62 E 3.9654 8.2993 118.7298 59.4794 29.3388 179.3243 63 M 3.9284 7.8691 118.8226 57.9380 31.9646 178.4665 64 R 3.9403 8.3528 119.3830 59.7075 30.0046 178.8458 65 K 3.9382 8.0731 116.3229 58.7790 32.0869 178.4262 66 A 4.2404 7.4742 118.7942 52.2073 18.4541 177.8256 67 G 3.7984 7.9985 105.9390 45.8956 0.0000 175.2130 68 I 3.7249 7.1103 114.7684 62.1465 37.9977 176.1389 69 F 5.0285 7.5441 118.8815 56.2074 40.4049 175.8010 70 Q 4.2407 8.8805 122.5484 58.2790 28.8844 177.2641 71 S 4.5451 8.1799 109.2887 58.1252 63.8570 173.7599 72 A 4.6224 7.9025 124.0877 51.0045 21.3642 176.1156 73 K 4.2568 8.8104 121.5974 56.7456 32.5048 176.3472 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 2 T 8.17 4.20 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 3 A 8.47 3.92 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 0.00 0.00 0.00 0.00 0.00 4 L 8.52 4.48 0.00 1.64 1.60 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.29 4.17 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 6 K 8.45 4.06 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.71 0.00 2.19 2.03 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 8 Q 8.49 4.00 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 9 M 8.65 4.71 0.00 1.99 2.03 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 2.68 2.50 0.00 10 R 7.67 4.63 0.00 1.83 1.78 0.00 3.27 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 G 8.63 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 12 L 7.33 4.02 0.00 1.69 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.86 3.89 0.00 1.75 1.66 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.04 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.14 3.87 0.00 2.07 2.09 0.00 3.04 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 7.91 3.95 0.00 2.02 2.17 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 17 L 8.24 3.95 0.00 1.83 1.86 0.95 0.94 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 18 R 8.13 3.89 0.00 2.13 2.01 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 19 F 8.28 4.11 0.00 3.18 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 20 H 8.45 4.22 0.00 3.41 3.41 0.00 5.87 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 21 I 8.14 3.70 1.95 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 1.64 0.84 0.91 0.00 0.00 22 V 7.78 3.64 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 0.94 0.00 0.00 0.90 0.00 0.00 23 G 8.07 3.48 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 0.00 0.00 0.00 24 A 8.35 4.03 1.41 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 0.00 0.00 25 F 8.75 4.08 0.00 3.11 3.16 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 26 M 8.12 3.82 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 27 V 7.85 3.57 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 0.97 0.00 0.00 0.98 0.00 0.00 28 S 8.14 4.20 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.87 3.92 0.00 1.61 1.57 0.50 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.20 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 0.00 0.00 0.00 31 F 8.86 4.25 0.00 3.07 3.09 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 32 A 8.31 3.93 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 33 T 8.07 3.78 4.50 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 0.00 0.00 0.00 1.22 0.00 0.00 34 F 8.43 4.26 0.00 3.14 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.15 3.46 0.00 2.27 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 3.94 0.00 1.97 1.87 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.51 7.81 37 F 8.10 3.93 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 38 A 7.71 3.49 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.02 3.72 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 0.00 0.00 0.55 0.00 0.00 0.31 0.00 0.00 40 A 7.29 3.83 1.30 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 0.00 0.00 0.00 41 E 8.88 3.91 0.00 1.95 1.96 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 2.32 2.47 0.00 42 K 7.18 3.68 0.00 1.48 1.74 0.00 1.52 0.00 0.00 1.38 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.24 7.81 43 R 7.88 3.87 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 44 K 7.78 3.88 0.00 1.86 1.89 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 45 K 8.32 3.94 0.00 1.81 1.90 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.46 7.81 46 A 8.38 3.91 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 0.00 0.00 0.00 0.00 0.00 47 Y 8.37 3.76 0.00 3.12 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 48 A 8.11 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.47 0.00 2.91 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 50 F 8.11 3.86 0.00 2.78 2.81 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 51 Y 8.39 4.42 0.00 3.26 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 52 R 7.61 3.97 0.00 1.97 1.99 0.00 3.23 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 53 N 7.81 5.01 0.00 2.69 2.75 0.00 0.00 6.84 7.46 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 54 Y 7.80 4.04 0.00 2.89 3.08 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 55 D 7.73 4.51 0.00 2.56 2.31 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 56 S 7.98 3.74 0.00 4.18 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 57 M 7.92 4.13 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 58 K 8.29 3.91 0.00 1.90 1.88 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 59 D 7.99 4.39 0.00 2.95 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 60 F 8.80 4.39 0.00 3.11 3.31 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 61 E 8.35 3.59 0.00 2.19 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 2.75 2.55 0.00 62 E 8.30 3.97 0.00 2.16 1.97 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 2.31 2.50 0.00 63 M 7.87 3.93 0.00 1.59 2.36 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.47 0.00 64 R 8.35 3.94 0.00 1.09 1.73 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 65 K 8.07 3.94 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 66 A 7.47 4.24 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 67 G 8.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.11 3.72 1.60 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.27 0.71 0.00 0.00 69 F 7.54 5.03 0.00 3.39 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 70 Q 8.88 4.24 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 71 S 8.18 4.55 0.00 3.97 3.99 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 72 A 7.90 4.62 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 73 K 8.81 4.26 0.00 1.77 1.72 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.37 7.81