NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 L 4.1788 8.0433 122.4769 54.9058 43.9175 178.2134 20 K 3.9564 7.9981 115.7631 57.3119 31.8140 175.9296 21 G 3.7766 8.7097 108.7101 46.6821 0.0000 173.9271 22 L 4.3494 7.5695 119.0378 54.4198 43.2827 176.6757 23 V 3.8416 7.8062 117.6077 64.3349 31.7589 174.6254 24 N 4.1653 8.9975 120.5793 54.4383 37.0603 173.8528 25 H 4.7782 8.4435 115.7238 54.2817 31.8629 174.2648 26 R 4.7237 8.3979 120.5796 56.0095 30.9902 175.4869 27 V 4.8728 8.9440 119.5613 59.3921 36.4641 174.7852 28 G 4.3516 9.2113 108.4629 44.5775 0.0000 171.9881 29 V 4.6561 9.4012 126.9669 61.2865 33.3322 174.2019 30 K 4.5445 8.6121 130.7986 55.0092 33.5715 176.0290 31 L 4.6299 7.6236 127.4145 53.7700 42.8280 177.4469 32 K 4.1654 8.5515 120.4057 59.6018 31.9429 178.4028 33 F 4.5970 7.4706 112.9864 56.9178 39.8963 176.7695 34 N 4.2367 9.1124 117.3676 54.1336 36.4497 176.2270 35 S 4.6484 8.0695 109.4510 58.6262 62.4305 174.1454 36 T 4.9237 7.4992 116.6866 62.7580 71.5240 175.1530 37 E 4.5630 8.7482 124.9994 54.8087 33.7919 173.1980 38 Y 5.2235 8.8682 124.1893 56.5516 40.2844 174.8419 39 R 4.9844 8.7844 123.0231 54.3812 33.6131 176.3841 40 G 4.0470 7.9469 108.2780 46.4095 0.0000 170.8154 41 T 4.8306 7.8951 116.9229 61.7831 70.6766 174.3291 42 L 4.3937 8.7094 129.2766 55.2102 42.0506 177.6056 43 V 3.6913 9.0118 127.9811 65.6398 32.1656 175.6022 44 S 4.6006 7.3794 112.2604 58.6266 66.6104 171.6048 45 T 4.7827 7.9503 114.0944 65.6776 72.3350 172.4263 46 D 4.4909 8.6168 117.9212 53.6816 41.4664 177.1377 47 N 4.0394 8.7505 118.9465 56.9366 37.5494 176.0215 48 Y 3.9990 8.3554 114.4796 58.8565 37.8038 176.8921 49 F 3.6030 8.7502 118.3835 58.4417 37.2525 173.8256 50 N 5.4569 7.7535 116.2837 52.0970 39.9085 174.5250 51 L 4.9452 8.9084 123.3936 53.9815 44.9157 174.9756 52 Q 4.4093 8.6119 121.7358 54.2570 31.0478 173.8126 53 L 5.0534 8.4876 128.9407 53.1495 45.1285 174.2536 54 N 5.4214 8.9007 124.6504 51.3176 41.6040 174.2036 55 E 3.8852 8.6897 123.5097 57.4024 27.0744 174.5842 56 A 4.6541 7.8113 120.1455 51.8165 20.3533 177.4221 57 E 5.0729 9.3447 122.7735 54.2875 33.1465 174.2554 58 E 4.7802 9.0724 128.3151 55.7405 31.4053 174.9255 59 F 5.0042 9.1976 125.3448 55.6312 42.6467 173.9479 60 V 4.4824 8.5417 124.1050 61.2982 33.5750 175.5460 61 A 3.8499 9.7586 132.2460 53.3192 16.6487 177.2484 62 G 4.0185 8.5362 103.9484 47.2780 0.0000 174.0552 63 V 4.4093 7.9482 119.3634 60.2618 33.8495 174.8533 64 S 3.6553 8.3907 121.4766 58.4706 62.5964 173.4127 65 H 4.6824 8.6920 125.5821 55.9434 29.1578 173.8111 66 G 3.7730 7.8011 105.9422 45.0494 0.0000 173.1764 67 T 4.8979 8.1216 114.8672 61.7065 70.2526 174.6827 68 L 4.5665 9.0197 127.2716 53.2591 44.5570 178.1050 69 G 4.0882 8.5829 110.8854 46.9654 0.0000 176.6324 70 E 4.9175 9.2987 124.8444 55.5427 31.0581 174.8271 71 I 4.9171 8.4936 116.7262 59.1021 41.5410 174.0781 72 F 4.9829 8.9979 122.3040 56.0536 40.7738 174.9506 73 I 4.5171 8.7045 125.2027 59.7877 39.6477 174.9308 74 R 5.0923 8.5012 124.4191 55.4199 31.6146 176.9915 75 C 4.0261 9.2308 119.7094 61.7137 29.9033 175.9332 76 N 4.1949 8.5217 117.1304 56.0249 38.1665 175.9680 77 N 4.6877 8.0419 112.5183 54.0342 38.7290 174.6538 78 V 4.1805 7.9729 120.0302 61.9177 32.5158 174.9204 79 L 4.4085 8.7717 130.7733 56.8626 42.4795 175.6759 80 Y 4.9469 7.0317 114.0606 56.4177 41.2549 172.3601 81 I 5.3949 8.7078 119.9539 59.6188 40.8286 175.0591 82 R 4.8001 9.1808 121.7502 54.4161 33.5937 173.2747 83 E 4.8926 8.5743 120.2194 54.7481 30.8257 175.1392 84 L 4.4125 8.9377 128.1665 53.0448 42.8286 174.6851 85 P 4.1218 0.0000 0.0000 63.1826 31.1007 175.8676 86 N 4.3499 8.8155 119.6819 53.0682 36.8679 174.5017 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 L 8.04 4.18 0.00 1.47 1.53 -0.19 -0.04 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 20 K 8.00 3.96 0.00 1.84 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 21 G 8.71 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 0.00 0.00 0.00 22 L 7.57 4.35 0.00 1.74 1.67 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.81 3.84 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 0.85 0.00 0.00 0.92 0.00 0.00 24 N 9.00 4.17 0.00 2.80 2.81 0.00 0.00 6.90 8.15 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 25 H 8.44 4.78 0.00 3.26 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.40 4.72 0.00 1.89 1.82 0.00 3.11 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 27 V 8.94 4.87 2.26 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 0.76 0.00 0.00 1.00 0.00 0.00 28 G 9.21 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.40 4.66 2.22 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 1.05 0.00 0.00 0.99 0.00 0.00 30 K 8.61 4.54 0.00 1.15 0.74 0.00 1.31 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.71 1.06 7.81 31 L 7.62 4.63 0.00 0.99 0.82 0.75 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.55 4.17 0.00 1.83 1.93 0.00 1.92 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 33 F 7.47 4.60 0.00 3.17 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 34 N 9.11 4.24 0.00 2.80 2.78 0.00 0.00 6.72 7.57 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 35 S 8.07 4.65 0.00 3.80 3.93 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 36 T 7.50 4.92 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 0.73 0.00 0.00 37 E 8.75 4.56 0.00 1.81 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 38 Y 8.87 5.22 0.00 3.01 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 39 R 8.78 4.98 0.00 1.78 1.72 0.00 2.21 0.00 0.00 2.74 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.32 0.00 40 G 7.95 4.05 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 0.00 0.00 0.00 41 T 7.90 4.83 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 1.19 0.00 0.00 42 L 8.71 4.39 0.00 1.77 1.58 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.01 3.69 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 0.85 0.00 0.00 0.87 0.00 0.00 44 S 7.38 4.60 0.00 3.90 3.93 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 45 T 7.95 4.78 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 1.13 0.00 0.00 46 D 8.62 4.49 0.00 2.81 2.73 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 47 N 8.75 4.04 0.00 2.90 2.99 0.00 0.00 6.97 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 48 Y 8.36 4.00 0.00 3.45 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 49 F 8.75 3.60 0.00 3.25 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 5.46 0.00 2.91 2.86 0.00 0.00 6.55 6.62 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 51 L 8.91 4.95 0.00 1.70 1.70 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.61 4.41 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 53 L 8.49 5.05 0.00 1.64 1.34 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.90 5.42 0.00 2.69 2.68 0.00 0.00 7.08 7.26 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 55 E 8.69 3.89 0.00 2.16 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 0.00 2.22 2.29 0.00 56 A 7.81 4.65 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 57 E 9.34 5.07 0.00 2.16 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 0.00 2.15 2.27 0.00 58 E 9.07 4.78 0.00 2.29 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 2.19 2.24 0.00 59 F 9.20 5.00 0.00 3.13 2.89 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 60 V 8.54 4.48 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 0.83 0.00 0.00 0.65 0.00 0.00 61 A 9.76 3.85 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 62 G 8.54 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 63 V 7.95 4.41 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 1.04 0.00 0.00 0.96 0.00 0.00 64 S 8.39 3.66 0.00 3.43 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 65 H 8.69 4.68 0.00 2.98 3.21 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.90 4.25 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 1.23 0.00 0.00 68 L 9.02 4.57 0.00 1.47 1.60 0.99 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.58 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 0.00 0.00 0.00 70 E 9.30 4.92 0.00 1.98 1.83 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 2.38 2.29 0.00 71 I 8.49 4.92 1.76 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.04 0.82 0.00 0.00 72 F 9.00 4.98 0.00 2.86 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 73 I 8.70 4.52 1.90 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 1.08 0.83 0.97 0.00 0.00 74 R 8.50 5.09 0.00 1.81 1.93 0.00 3.64 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 75 C 9.23 4.03 0.00 3.16 3.64 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 76 N 8.52 4.19 0.00 2.79 2.99 0.00 0.00 6.93 8.00 0.00 0.00 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 N 8.04 4.69 0.00 2.85 3.08 0.00 0.00 6.70 7.43 0.00 0.00 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 V 7.97 4.18 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 0.81 0.00 0.00 1.06 0.00 0.00 79 L 8.77 4.41 0.00 1.53 1.56 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.03 4.95 0.00 2.99 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 81 I 8.71 5.39 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.98 0.00 0.00 82 R 9.18 4.80 0.00 1.85 2.05 0.00 2.80 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 83 E 8.57 4.89 0.00 1.96 1.86 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 2.21 2.46 0.00 84 L 8.94 4.41 0.00 1.63 1.53 0.83 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.12 0.00 2.15 2.10 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 86 N 8.82 4.35 0.00 2.85 2.89 0.00 0.00 6.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00