NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6111 8.3044 120.3286 55.1364 33.5609 174.2616 2 K 4.4092 8.2830 122.9393 53.5170 35.0875 175.0174 3 A 3.9703 9.5124 126.2392 55.6794 18.7882 179.7746 4 K 3.8981 8.0731 116.0512 59.7879 32.0094 179.2299 5 E 3.9983 8.3735 118.9507 59.3346 29.1583 179.4115 6 L 4.0168 7.7825 117.6320 57.8457 41.8533 179.2460 7 R 4.0603 7.8119 117.1342 59.2383 30.0592 178.4684 8 E 4.0560 7.7878 118.3025 58.0927 29.9428 177.6104 9 K 4.0890 6.9099 117.4637 56.2142 32.9046 177.1239 10 S 4.4714 8.5957 116.1217 57.3737 64.6202 175.3586 11 V 3.6202 8.2897 123.4156 66.1275 31.0441 177.7436 12 E 4.0991 8.0836 116.7936 59.4653 29.7820 178.7761 13 E 3.9700 8.0583 119.0194 59.0790 29.5535 179.0550 14 L 4.1212 8.0821 118.9142 57.2705 41.6735 179.2010 15 N 4.3518 7.6612 115.5117 56.4713 38.6320 177.4136 16 T 3.9405 8.1123 114.3861 64.7569 67.3419 176.3636 17 E 3.9329 8.0948 120.7037 59.1685 29.5144 178.7864 18 L 3.9184 7.8077 120.3417 58.1842 42.2104 178.7950 19 L 3.9533 7.9864 120.2327 58.0675 41.9660 178.5050 20 N 4.3265 8.1259 117.1414 56.6387 38.8606 176.9835 21 L 4.0190 8.5733 120.8195 57.6792 41.5775 179.1758 22 L 3.9564 8.3693 120.7731 58.0832 42.0201 179.0899 23 R 3.8924 7.8000 118.3933 59.3748 30.0104 177.8141 24 E 3.9309 8.1979 119.2791 59.2502 29.4819 178.2204 25 Q 3.9681 8.2846 119.6096 59.5337 29.2360 178.8661 26 F 4.2696 8.1549 121.7910 61.2132 39.3371 176.9731 27 N 4.4125 8.0875 114.5483 55.4540 37.3161 176.6891 28 L 4.1673 8.0221 121.1671 56.8206 41.8663 178.6689 29 R 4.0469 7.8678 118.1230 57.9165 30.0277 177.8298 30 M 4.1742 7.6579 118.9376 56.7368 31.7849 177.9353 31 Q 3.9542 7.8972 119.3871 59.1771 28.7635 178.7847 32 A 3.9481 7.8918 119.3079 54.8679 18.5689 178.7892 33 A 4.0355 7.6154 117.1125 52.5841 18.5661 177.4839 34 S 3.7732 8.1447 112.5682 59.2293 60.8705 172.6096 35 G 3.8070 8.0344 107.4569 45.8358 0.0000 174.4111 36 Q 4.2509 8.5664 119.1592 57.9021 29.5776 178.3248 37 L 4.0399 8.0659 116.5035 57.5438 41.7940 177.8281 38 Q 4.0955 7.0957 114.0779 56.7433 28.6350 176.4979 39 Q 4.3912 8.2900 119.1645 53.8571 31.6903 175.0743 40 S 4.1949 8.9585 120.3842 62.5342 62.6051 174.4533 41 H 3.9525 8.5205 120.4288 59.2256 29.2699 176.4446 42 L 4.1036 8.0080 121.2522 59.0065 40.3619 179.4275 43 L 3.9588 7.5969 118.4915 57.6685 40.2640 179.1910 44 K 4.0099 8.0431 118.4635 58.6501 32.1706 178.6963 45 Q 4.2469 7.8206 118.0766 58.4726 28.8916 177.8810 46 V 3.7472 8.1580 120.0719 66.1355 31.4511 178.3281 47 R 3.9489 7.4945 113.0832 59.2437 29.1379 179.1519 48 R 4.0533 7.4152 116.4522 58.9078 30.0772 178.5058 49 D 4.3956 8.5922 119.0005 57.6830 40.5968 179.4476 50 V 3.6259 8.0322 112.2349 63.8482 31.3135 178.6185 51 A 4.0496 7.5068 119.5301 54.9385 18.4200 179.5768 52 R 3.8669 8.5602 117.3726 59.5614 30.2091 179.5298 53 V 3.6109 7.9910 118.8659 64.9157 30.8880 178.2464 54 K 3.9494 7.7524 119.9750 59.3166 32.0611 179.0033 55 T 3.9048 8.1583 110.4732 64.9599 68.8137 176.7269 56 L 4.4254 8.2002 123.7748 56.7479 41.3383 179.4583 57 L 4.0213 7.8922 118.5230 57.7142 41.5617 178.6838 58 N 4.4839 7.6326 116.1871 56.5166 39.0734 176.6423 59 E 4.1006 8.2619 120.0349 58.9194 29.2579 177.2444 60 K 4.2940 7.7611 122.4318 56.6026 32.3577 176.6177 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 1 M 8.30 4.61 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 K 8.28 4.41 0.00 1.75 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.45 7.81 3 A 9.51 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.90 0.00 1.81 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 5 E 8.37 4.00 0.00 2.14 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 2.33 2.35 0.00 6 L 7.78 4.02 0.00 1.76 1.73 0.92 0.97 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 7 R 7.81 4.06 0.00 1.80 1.99 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 8 E 7.79 4.06 0.00 1.93 2.14 0.00 0.00 0.00 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 2.35 0.00 9 K 6.91 4.09 0.00 1.95 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.64 7.81 10 S 8.60 4.47 0.00 3.95 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 11 V 8.29 3.62 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 1.03 0.00 0.00 0.93 0.00 0.00 12 E 8.08 4.10 0.00 2.23 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 2.36 2.39 0.00 13 E 8.06 3.97 0.00 2.26 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 0.00 2.40 2.40 0.00 14 L 8.08 4.12 0.00 1.85 1.71 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.66 4.35 0.00 2.99 2.85 0.00 0.00 6.50 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 16 T 8.11 3.94 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 1.28 0.00 0.00 17 E 8.09 3.93 0.00 2.28 1.98 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 2.44 2.46 0.00 18 L 7.81 3.92 0.00 1.85 1.82 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.99 3.95 0.00 1.88 1.78 0.89 0.33 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 20 N 8.13 4.33 0.00 2.94 2.95 0.00 0.00 7.20 6.82 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 21 L 8.57 4.02 0.00 1.83 1.71 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.37 3.96 0.00 1.91 1.81 0.91 0.73 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 23 R 7.80 3.89 0.00 1.91 2.12 0.00 3.14 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 1.66 1.65 0.00 24 E 8.20 3.93 0.00 2.16 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 0.00 2.33 2.39 0.00 25 Q 8.28 3.97 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 26 F 8.15 4.27 0.00 3.16 3.19 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 27 N 8.09 4.41 0.00 2.97 3.06 0.00 0.00 7.11 7.65 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 28 L 8.02 4.17 0.00 1.92 1.75 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.87 4.05 0.00 1.48 1.75 0.00 3.25 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.28 0.00 30 M 7.66 4.17 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.54 0.00 31 Q 7.90 3.95 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 32 A 7.89 3.95 1.25 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 0.00 0.00 33 A 7.62 4.04 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 34 S 8.14 3.77 0.00 4.02 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 35 G 8.03 3.81 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 0.00 0.00 0.00 36 Q 8.57 4.25 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 37 L 8.07 4.04 0.00 1.61 1.76 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.10 4.10 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 39 Q 8.29 4.39 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 40 S 8.96 4.19 0.00 3.90 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 0.00 41 H 8.52 3.95 0.00 3.24 3.15 0.00 5.74 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 42 L 8.01 4.10 0.00 1.91 1.98 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.60 3.96 0.00 1.92 1.76 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.04 4.01 0.00 1.84 1.89 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 45 Q 7.82 4.25 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 46 V 8.16 3.75 2.10 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 1.10 0.00 0.00 1.02 0.00 0.00 47 R 7.49 3.95 0.00 2.15 2.18 0.00 2.82 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 48 R 7.42 4.05 0.00 2.07 2.01 0.00 3.18 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 49 D 8.59 4.40 0.00 2.78 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 50 V 8.03 3.63 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 0.93 0.00 0.00 1.04 0.00 0.00 51 A 7.51 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.87 0.00 1.97 2.00 0.00 3.15 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 53 V 7.99 3.61 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 0.89 0.00 0.00 0.97 0.00 0.00 54 K 7.75 3.95 0.00 2.17 2.00 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 55 T 8.16 3.90 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 1.27 0.00 0.00 56 L 8.20 4.43 0.00 1.74 1.76 1.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.89 4.02 0.00 1.84 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.63 4.48 0.00 2.69 3.05 0.00 0.00 7.26 7.39 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 59 E 8.26 4.10 0.00 2.24 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 2.33 2.63 0.00 60 K 7.76 4.29 0.00 1.92 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.73 1.59 7.81