#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg7 s SER 2 N 0.00 -0.24 -0.42 7.83 0.15 -1.26 -5.12 113.70 114.63 2kg7 s SER 2 Ca 0.00 0.48 -0.08 0.00 0.70 0.00 0.00 55.95 57.04 2kg7 s SER 2 Cb 0.00 0.44 0.09 0.00 -1.71 0.00 0.00 66.02 64.84 2kg7 s SER 2 CO 0.00 -0.11 0.26 -0.76 1.20 0.00 0.00 173.24 173.83 2kg7 s LEU 3 N 0.51 5.23 -0.23 3.45 1.43 -1.26 -4.90 118.68 122.91 2kg7 s LEU 3 Ca -0.03 -1.65 0.09 0.00 -1.03 0.00 0.00 54.13 51.51 2kg7 s LEU 3 Cb -0.05 -1.96 -0.20 0.00 0.03 0.00 0.00 46.19 44.01 2kg7 s LEU 3 CO -0.03 -0.56 -0.10 0.18 0.23 0.00 0.00 176.35 176.08 2kg7 n LEU 4 N 4.87 1.67 -2.67 1.79 4.77 -1.26 -4.86 117.00 121.30 2kg7 n LEU 4 Ca -0.09 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.77 2kg7 n LEU 4 Cb 0.42 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 2kg7 n LEU 4 CO 0.39 0.74 0.60 -0.90 -1.33 0.00 0.00 177.39 176.89 2kg7 n ASP 5 N -3.03 -1.38 -0.05 -1.43 5.68 -1.26 -5.00 116.55 110.08 2kg7 n ASP 5 Ca -0.40 -1.97 -0.22 0.00 -0.50 0.00 0.00 54.79 51.71 2kg7 n ASP 5 Cb 1.06 1.08 -0.13 0.00 -1.14 0.00 0.00 41.12 41.99 2kg7 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kg7 n ALA 6 N -0.33 0.97 -2.71 2.12 0.00 -1.26 -4.83 120.51 114.46 2kg7 n ALA 6 Ca -0.17 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.52 2kg7 n ALA 6 Cb 0.71 -0.50 0.09 0.00 0.00 0.00 0.00 19.45 19.75 2kg7 n ALA 6 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kg7 n HIS 7 N -3.73 -2.11 -4.27 0.00 -0.00 -1.26 -5.15 115.22 98.70 2kg7 n HIS 7 Ca -0.36 -1.70 -0.21 0.00 0.46 0.00 0.00 57.72 55.91 2kg7 n HIS 7 Cb 0.94 1.50 -0.12 0.00 -0.12 0.00 0.00 29.99 32.20 2kg7 n HIS 7 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 2kg7 s ILE 8 N 0.19 1.55 -1.06 3.57 -4.36 -1.26 -5.07 121.20 114.76 2kg7 s ILE 8 Ca 0.21 -1.64 -0.23 0.00 -0.26 0.00 0.00 60.65 58.72 2kg7 s ILE 8 Cb 0.29 -1.54 -0.07 0.00 1.25 0.00 0.00 42.46 42.39 2kg7 s ILE 8 CO -0.09 -0.24 1.94 -2.16 0.24 0.00 0.00 174.94 174.63 2kg7 s PRO 9 N -2.29 2.53 0.13 0.37 0.04 -1.26 -4.93 135.00 129.58 2kg7 s PRO 9 Ca 0.08 -0.79 0.07 0.00 0.04 0.00 0.00 61.00 60.39 2kg7 s PRO 9 Cb -0.08 -5.17 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 2kg7 s PRO 9 CO 0.04 -3.71 -0.04 1.14 0.04 0.00 0.00 177.00 174.48 2kg7 s GLN 10 N 6.69 2.34 -1.40 4.56 -2.07 -1.26 -4.53 119.66 123.99 2kg7 s GLN 10 Ca 0.69 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 2kg7 s GLN 10 Cb -0.03 -2.39 0.00 0.00 -1.09 0.00 0.00 33.01 29.50 2kg7 s GLN 10 CO 0.07 0.50 0.00 1.28 -1.32 0.00 0.00 175.29 175.82 2kg7 n LEU 11 N 0.34 -1.35 -4.72 2.60 4.32 -1.26 -4.92 117.00 112.01 2kg7 n LEU 11 Ca -0.11 0.19 -0.41 0.00 -0.02 0.00 0.00 56.01 55.65 2kg7 n LEU 11 Cb 0.53 -2.38 -0.04 0.00 -1.62 0.00 0.00 43.42 39.91 2kg7 n LEU 11 CO 0.37 -0.32 0.61 -0.69 -1.22 0.00 0.00 177.39 176.13 2kg7 s VAL 12 N -2.65 4.76 -1.89 4.08 1.01 -1.26 -3.52 120.40 120.93 2kg7 s VAL 12 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2kg7 s VAL 12 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2kg7 s VAL 12 CO 0.00 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.35 2kg7 n ALA 13 N 3.38 -0.55 0.24 5.51 0.00 -1.26 -4.84 120.51 122.99 2kg7 n ALA 13 Ca 0.03 0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.80 2kg7 n ALA 13 Cb 0.50 -2.16 0.74 0.00 0.00 0.00 0.00 19.45 18.54 2kg7 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kg7 h SER 14 N 0.00 0.00 0.62 0.00 0.87 -1.96 0.02 113.55 113.10 2kg7 h SER 14 Ca -0.48 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.02 2kg7 h SER 14 Cb 1.36 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 2kg7 h SER 14 CO 0.59 0.00 -0.27 1.56 -0.53 0.00 0.00 176.83 178.19 2kg7 h GLN 15 N 0.00 0.00 -4.78 2.24 4.20 -1.89 -3.48 115.11 111.40 2kg7 h GLN 15 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2kg7 h GLN 15 Cb 0.13 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 2kg7 h GLN 15 CO -0.00 0.27 -1.01 0.43 -0.67 0.00 0.00 178.83 177.85 2kg7 n SER 16 N -3.64 -5.11 0.18 1.46 7.64 -0.01 -4.83 113.62 109.31 2kg7 n SER 16 Ca -0.01 1.20 0.02 0.00 1.01 0.00 0.00 58.87 61.10 2kg7 n SER 16 Cb 0.39 -4.69 0.34 0.00 -1.01 0.00 0.00 64.21 59.24 2kg7 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg7 h ALA 17 N 2.87 1.31 0.01 -0.43 0.00 -1.88 -3.13 119.26 118.02 2kg7 h ALA 17 Ca -0.15 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2kg7 h ALA 17 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kg7 h ALA 17 CO 0.06 0.50 -0.12 0.35 0.00 0.00 0.00 179.25 180.04 2kg7 h PHE 18 N 0.00 -0.30 -0.98 0.00 3.04 -1.91 -2.24 116.94 114.56 2kg7 h PHE 18 Ca -0.00 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.03 2kg7 h PHE 18 Cb 0.72 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 39.29 2kg7 h PHE 18 CO 0.00 -0.18 0.63 0.00 -2.02 0.00 0.00 178.31 176.74 2kg7 h ALA 19 N 0.75 1.46 -0.88 2.41 0.00 -1.48 -0.08 119.26 121.44 2kg7 h ALA 19 Ca 0.04 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2kg7 h ALA 19 Cb 0.25 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 2kg7 h ALA 19 CO -0.11 0.37 0.53 0.00 0.00 0.00 0.00 179.25 180.05 2kg7 h ALA 20 N 1.49 1.23 0.00 0.00 0.00 -1.41 -0.85 119.26 119.72 2kg7 h ALA 20 Ca 0.44 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.14 2kg7 h ALA 20 Cb 0.25 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kg7 h ALA 20 CO -0.18 0.23 -0.83 0.87 0.00 0.00 0.00 179.25 179.34 2kg7 h LYS 21 N 0.93 0.56 -0.84 0.00 1.57 -0.94 -3.17 116.57 114.69 2kg7 h LYS 21 Ca 0.40 -0.60 0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2kg7 h LYS 21 Cb 0.26 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 2kg7 h LYS 21 CO -0.21 1.22 0.55 0.00 -0.57 0.00 0.00 179.45 180.44 2kg7 h ALA 22 N 0.36 1.72 0.00 3.86 0.00 -0.58 -0.11 119.26 124.51 2kg7 h ALA 22 Ca -0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2kg7 h ALA 22 Cb 1.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2kg7 h ALA 22 CO 0.16 0.10 -0.33 0.78 0.00 0.00 0.00 179.25 179.96 2kg7 h GLY 23 N 0.79 0.00 2.00 0.00 0.00 -1.20 -2.92 103.07 101.73 2kg7 h GLY 23 Ca 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.62 2kg7 h GLY 23 CO -0.16 0.00 -0.49 -2.00 0.00 0.00 0.00 176.54 173.89 2kg7 h LEU 24 N 0.00 0.00 0.86 3.11 5.85 -1.00 -3.20 115.31 120.93 2kg7 h LEU 24 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2kg7 h LEU 24 Cb 0.84 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.88 2kg7 h LEU 24 CO 0.04 0.49 -0.41 -0.03 -0.34 0.00 0.00 178.44 178.19 2kg7 h MET 25 N 0.00 -1.11 -0.17 1.25 4.05 -1.26 -2.26 114.93 115.43 2kg7 h MET 25 Ca -0.00 0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.54 2kg7 h MET 25 Cb 1.11 0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 32.16 2kg7 h MET 25 CO 0.06 -0.73 0.18 0.07 0.23 0.00 0.00 176.91 176.72 2kg7 h ARG 26 N -1.18 0.00 -0.39 0.39 0.11 -1.65 -0.59 114.38 111.07 2kg7 h ARG 26 Ca -0.12 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.82 2kg7 h ARG 26 Cb 0.89 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.96 2kg7 h ARG 26 CO 0.19 0.00 -0.32 1.25 0.10 0.00 0.00 179.97 181.19 2kg7 h HIS 27 N 0.00 1.05 -0.36 4.08 2.76 -1.44 0.10 115.15 121.35 2kg7 h HIS 27 Ca 0.08 -0.29 -0.02 0.00 -2.20 0.00 0.00 60.37 57.94 2kg7 h HIS 27 Cb 0.44 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 2kg7 h HIS 27 CO 0.00 1.09 0.15 1.15 -1.30 0.00 0.00 177.93 179.02 2kg7 h THR 28 N 0.74 1.18 -0.06 6.26 2.02 -0.55 -0.92 112.91 121.58 2kg7 h THR 28 Ca 0.08 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 2kg7 h THR 28 Cb 0.90 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2kg7 h THR 28 CO 0.08 0.20 -0.26 0.40 0.37 0.00 0.00 175.52 176.31 2kg7 h ILE 29 N 0.43 1.44 -0.52 3.11 5.03 -1.50 -1.02 117.51 124.48 2kg7 h ILE 29 Ca 0.12 -1.67 0.06 0.00 -0.12 0.00 0.00 64.86 63.25 2kg7 h ILE 29 Cb 0.17 2.34 -0.05 0.00 -3.03 0.00 0.00 36.82 36.25 2kg7 h ILE 29 CO -0.01 0.48 0.22 1.23 -0.68 0.00 0.00 178.15 179.38 2kg7 h GLY 30 N -0.23 0.72 1.04 5.37 0.00 -0.77 0.25 103.07 109.45 2kg7 h GLY 30 Ca -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 2kg7 h GLY 30 CO 0.05 0.05 -0.62 1.46 0.00 0.00 0.00 176.54 177.48 2kg7 h GLN 31 N 0.43 0.69 0.00 4.80 1.08 -1.24 -3.10 115.11 117.76 2kg7 h GLN 31 Ca 0.25 -0.54 -0.03 0.00 -1.45 0.00 0.00 58.65 56.87 2kg7 h GLN 31 Cb 0.23 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2kg7 h GLN 31 CO -0.22 1.15 -0.16 0.00 -0.95 0.00 0.00 178.83 178.66 2kg7 h ALA 32 N 0.54 1.62 -0.11 3.87 0.00 -0.82 -2.16 119.26 122.20 2kg7 h ALA 32 Ca -0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2kg7 h ALA 32 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kg7 h ALA 32 CO 0.13 0.20 -0.52 1.49 0.00 0.00 0.00 179.25 180.55 2kg7 h GLU 33 N 0.00 0.30 -0.52 0.00 4.81 -0.45 -2.99 114.58 115.73 2kg7 h GLU 33 Ca -0.00 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2kg7 h GLU 33 Cb 0.30 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2kg7 h GLU 33 CO 0.02 0.75 0.35 0.37 -0.73 0.00 0.00 179.01 179.77 2kg7 h GLN 34 N 0.24 0.47 -0.31 1.92 4.15 -1.32 -2.28 115.11 117.98 2kg7 h GLN 34 Ca 0.01 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.45 2kg7 h GLN 34 Cb 1.00 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 2kg7 h GLN 34 CO 0.08 0.31 -0.01 0.00 -1.93 0.00 0.00 178.83 177.28 2kg7 h ALA 35 N 1.72 0.27 0.27 3.38 0.00 -1.57 0.24 119.26 123.56 2kg7 h ALA 35 Ca 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2kg7 h ALA 35 Cb 0.28 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kg7 h ALA 35 CO -0.06 -0.41 -0.22 0.00 0.00 0.00 0.00 179.25 178.56 2kg7 h ALA 36 N 1.27 -0.98 -0.95 0.00 0.00 -1.55 -1.54 119.26 115.51 2kg7 h ALA 36 Ca 0.15 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.15 2kg7 h ALA 36 Cb 0.20 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2kg7 h ALA 36 CO -0.25 -0.98 0.61 0.00 0.00 0.00 0.00 179.25 178.62 2kg7 h MET 37 N -0.48 0.57 -0.94 0.00 -0.00 -1.49 0.64 114.93 113.23 2kg7 h MET 37 Ca -0.04 -0.03 0.03 0.00 -0.00 0.00 0.00 59.70 59.66 2kg7 h MET 37 Cb 0.40 -0.13 -0.05 0.00 -0.00 0.00 0.00 31.60 31.82 2kg7 h MET 37 CO 0.00 0.37 0.61 0.77 -0.00 0.00 0.00 176.91 178.67 2kg7 h SER 38 N 0.58 1.02 0.23 -0.10 0.02 -0.15 0.26 113.55 115.41 2kg7 h SER 38 Ca 0.51 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.32 2kg7 h SER 38 Cb 1.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2kg7 h SER 38 CO -0.25 0.70 -0.51 0.00 -1.14 0.00 0.00 176.83 175.63 2kg7 h ALA 39 N 1.38 0.91 -0.00 3.77 0.00 0.14 -2.74 119.26 122.72 2kg7 h ALA 39 Ca 0.37 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kg7 h ALA 39 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2kg7 h ALA 39 CO -0.12 0.67 -0.18 0.94 0.00 0.00 0.00 179.25 180.56 2kg7 n GLN 40 N -3.95 0.41 0.29 0.00 -0.06 -0.72 -3.79 117.38 109.55 2kg7 n GLN 40 Ca -0.02 -0.15 0.18 0.00 -2.00 0.00 0.00 57.00 55.01 2kg7 n GLN 40 Cb 0.56 -1.50 0.97 0.00 -4.06 0.00 0.00 30.24 26.21 2kg7 n GLN 40 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2kg7 h ALA 41 N 3.36 1.41 -0.84 1.69 0.00 -0.20 0.66 119.26 125.34 2kg7 h ALA 41 Ca 0.00 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.15 2kg7 h ALA 41 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2kg7 h ALA 41 CO 0.00 -0.16 0.60 0.27 0.00 0.00 0.00 179.25 179.96 2kg7 h PHE 42 N 0.00 0.05 0.00 0.00 -0.00 -1.76 -3.27 116.94 111.96 2kg7 h PHE 42 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 2kg7 h PHE 42 Cb 0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.22 2kg7 h PHE 42 CO 0.00 0.01 -0.82 1.58 -0.00 0.00 0.00 178.31 179.08 2kg7 n HIS 43 N -4.31 0.00 -2.93 6.09 -0.00 -0.61 -5.09 115.22 108.37 2kg7 n HIS 43 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.88 2kg7 n HIS 43 Cb 0.89 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.92 2kg7 n HIS 43 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2kg7 n GLN 44 N -2.62 -1.45 0.00 1.57 0.00 0.13 -5.03 117.38 109.97 2kg7 n GLN 44 Ca 0.00 1.57 0.00 0.00 -0.00 0.00 0.00 57.00 58.57 2kg7 n GLN 44 Cb 0.41 -5.51 0.00 0.00 0.00 0.00 0.00 30.24 25.14 2kg7 n GLN 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kg7 n GLY 45 N -1.43 2.17 5.08 1.69 0.00 -1.26 -5.09 105.19 106.35 2kg7 n GLY 45 Ca 0.02 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.38 2kg7 n GLY 45 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kg7 n GLU 46 N -0.58 -0.95 -1.30 1.61 4.07 -1.26 -5.03 120.64 117.20 2kg7 n GLU 46 Ca 0.00 0.63 -0.00 0.00 -0.06 0.00 0.00 57.16 57.73 2kg7 n GLU 46 Cb 0.00 -1.16 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2kg7 n GLU 46 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2kg7 n SER 47 N -3.48 -0.03 -4.29 4.31 2.88 -1.26 -5.19 113.62 106.55 2kg7 n SER 47 Ca 0.00 -1.03 -0.16 0.00 -1.33 0.00 0.00 58.87 56.36 2kg7 n SER 47 Cb 0.22 0.05 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 2kg7 n SER 47 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kg7 s SER 48 N -1.03 1.02 -0.12 -3.46 0.15 -1.26 -5.09 113.70 103.91 2kg7 s SER 48 Ca 0.00 -1.37 -0.09 0.00 0.70 0.00 0.00 55.95 55.19 2kg7 s SER 48 Cb -0.00 0.20 -0.07 0.00 -1.71 0.00 0.00 66.02 64.43 2kg7 s SER 48 CO 0.00 -0.74 0.16 0.00 1.20 0.00 0.00 173.24 173.86 2kg7 h ALA 49 N 2.44 0.01 -0.93 5.45 0.00 -2.03 -3.10 119.26 121.11 2kg7 h ALA 49 Ca -0.38 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.38 2kg7 h ALA 49 Cb 1.25 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 2kg7 h ALA 49 CO 0.60 0.10 0.60 0.00 0.00 0.00 0.00 179.25 180.54 2kg7 h ALA 50 N -0.75 1.54 -0.31 0.00 0.00 -2.00 -0.71 119.26 117.03 2kg7 h ALA 50 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2kg7 h ALA 50 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kg7 h ALA 50 CO -0.01 0.29 -0.07 0.35 0.00 0.00 0.00 179.25 179.81 2kg7 h PHE 51 N 0.99 0.53 0.25 0.00 3.04 -1.99 -2.50 116.94 117.26 2kg7 h PHE 51 Ca 0.42 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 2kg7 h PHE 51 Cb 0.31 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.67 2kg7 h PHE 51 CO -0.00 0.57 -0.12 0.37 -2.02 0.00 0.00 178.31 177.11 2kg7 h GLN 52 N 0.48 -0.32 -0.36 1.11 4.15 -1.07 0.52 115.11 119.61 2kg7 h GLN 52 Ca 0.10 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.61 2kg7 h GLN 52 Cb 0.42 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 2kg7 h GLN 52 CO 0.02 0.02 -0.15 0.00 -1.93 0.00 0.00 178.83 176.79 2kg7 h ALA 53 N -0.12 0.15 -0.55 3.38 0.00 -1.33 0.27 119.26 121.05 2kg7 h ALA 53 Ca -0.03 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2kg7 h ALA 53 Cb 0.49 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2kg7 h ALA 53 CO 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 178.79 2kg7 h ALA 54 N 1.23 0.96 -0.48 0.00 0.00 -1.49 -2.19 119.26 117.29 2kg7 h ALA 54 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kg7 h ALA 54 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2kg7 h ALA 54 CO -0.42 0.63 0.07 1.25 0.00 0.00 0.00 179.25 180.79 2kg7 h HIS 55 N 0.88 0.78 -0.02 0.00 6.17 0.24 -2.44 115.15 120.76 2kg7 h HIS 55 Ca 0.16 -0.08 -0.13 0.00 0.71 0.00 0.00 60.37 61.03 2kg7 h HIS 55 Cb 0.51 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.20 2kg7 h HIS 55 CO 0.03 0.69 -0.62 0.00 0.71 0.00 0.00 177.93 178.75 2kg7 h ALA 56 N 1.36 0.94 -0.32 5.26 0.00 -0.24 -2.98 119.26 123.28 2kg7 h ALA 56 Ca 0.15 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2kg7 h ALA 56 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kg7 h ALA 56 CO 0.01 0.76 -0.17 0.00 0.00 0.00 0.00 179.25 179.85 2kg7 h ARG 57 N 0.05 0.58 0.26 0.00 3.08 -0.92 -2.01 114.38 115.42 2kg7 h ARG 57 Ca -0.01 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2kg7 h ARG 57 Cb 1.10 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2kg7 h ARG 57 CO 0.08 0.73 -0.13 0.35 -1.07 0.00 0.00 179.97 179.94 2kg7 h PHE 58 N 0.53 -0.33 -0.62 3.04 3.57 -1.40 -2.92 116.94 118.81 2kg7 h PHE 58 Ca 0.09 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.69 2kg7 h PHE 58 Cb 0.59 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 2kg7 h PHE 58 CO 0.02 0.03 0.42 -0.24 -2.23 0.00 0.00 178.31 176.31 2kg7 h VAL 59 N -0.81 0.87 -0.74 1.41 3.04 -1.53 0.17 116.25 118.66 2kg7 h VAL 59 Ca -0.04 -0.13 -0.04 0.00 -1.01 0.00 0.00 66.70 65.48 2kg7 h VAL 59 Cb 0.51 0.45 -0.03 0.00 -2.01 0.00 0.00 31.29 30.21 2kg7 h VAL 59 CO 0.06 0.07 0.30 0.00 -1.01 0.00 0.00 177.57 176.99 2kg7 h ALA 60 N 1.69 0.96 0.18 3.17 0.00 -1.33 -2.65 119.26 121.29 2kg7 h ALA 60 Ca 0.29 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 2kg7 h ALA 60 Cb 0.61 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.14 2kg7 h ALA 60 CO -0.08 0.58 -1.19 0.00 0.00 0.00 0.00 179.25 178.56 2kg7 h ALA 61 N 1.15 -0.10 -0.87 0.00 0.00 -0.99 -3.28 119.26 115.17 2kg7 h ALA 61 Ca 0.25 -0.78 0.22 0.00 0.00 0.00 0.00 54.91 54.60 2kg7 h ALA 61 Cb 0.20 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2kg7 h ALA 61 CO -0.02 0.58 0.59 0.00 0.00 0.00 0.00 179.25 180.40 2kg7 h ALA 62 N 0.17 2.41 -0.72 0.00 0.00 -0.66 0.70 119.26 121.16 2kg7 h ALA 62 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2kg7 h ALA 62 Cb 1.92 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 2kg7 h ALA 62 CO 0.23 -0.68 0.28 0.00 0.00 0.00 0.00 179.25 179.08 2kg7 h ALA 63 N 1.60 0.93 0.22 0.00 0.00 -1.53 0.24 119.26 120.73 2kg7 h ALA 63 Ca 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2kg7 h ALA 63 Cb 1.32 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kg7 h ALA 63 CO -0.12 0.55 -0.11 -0.22 0.00 0.00 0.00 179.25 179.36 2kg7 h LYS 64 N 1.03 -0.29 -0.10 0.00 3.11 -0.99 0.21 116.57 119.54 2kg7 h LYS 64 Ca 0.24 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 58.02 2kg7 h LYS 64 Cb 0.21 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 2kg7 h LYS 64 CO -0.02 -0.08 -0.28 -0.24 -2.81 0.00 0.00 179.45 176.02 2kg7 h VAL 65 N -0.45 1.24 0.03 2.00 3.04 -1.41 -1.76 116.25 118.95 2kg7 h VAL 65 Ca -0.03 -1.13 -0.00 0.00 -1.01 0.00 0.00 66.70 64.52 2kg7 h VAL 65 Cb 0.34 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2kg7 h VAL 65 CO 0.05 0.34 -0.02 -1.13 -1.01 0.00 0.00 177.57 175.80 2kg7 h ASN 66 N 0.16 -0.04 -0.07 3.17 -1.24 -0.32 -2.93 115.58 114.30 2kg7 h ASN 66 Ca 0.02 -0.51 0.00 0.00 0.71 0.00 0.00 56.30 56.52 2kg7 h ASN 66 Cb 0.58 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 2kg7 h ASN 66 CO 0.04 0.51 0.03 0.74 -1.29 0.00 0.00 177.43 177.46 2kg7 h THR 67 N -0.61 0.99 -0.46 -3.57 2.02 -0.53 -1.83 112.91 108.93 2kg7 h THR 67 Ca -0.00 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.29 2kg7 h THR 67 Cb 0.55 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2kg7 h THR 67 CO 0.01 0.01 0.38 -0.07 0.37 0.00 0.00 175.52 176.22 2kg7 h LEU 68 N 0.07 0.00 -1.14 2.58 3.38 -1.41 0.25 115.31 119.04 2kg7 h LEU 68 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2kg7 h LEU 68 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2kg7 h LEU 68 CO -0.02 0.00 -0.43 -0.07 0.09 0.00 0.00 178.44 178.01 2kg7 h LEU 69 N 0.00 0.00 0.04 1.67 3.38 -1.13 -1.84 115.31 117.42 2kg7 h LEU 69 Ca 0.22 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2kg7 h LEU 69 Cb 0.97 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2kg7 h LEU 69 CO -0.00 0.43 -0.02 -0.78 0.09 0.00 0.00 178.44 178.16 2kg7 h ASP 70 N 0.00 -0.04 -0.31 -0.43 1.82 -0.43 -3.09 116.42 113.94 2kg7 h ASP 70 Ca -0.00 -0.64 0.01 0.00 -0.39 0.00 0.00 57.03 56.00 2kg7 h ASP 70 Cb 0.76 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 2kg7 h ASP 70 CO 0.06 0.68 0.20 -0.37 -1.61 0.00 0.00 179.24 178.20 2kg7 h VAL 71 N -0.82 1.07 0.01 2.25 -1.51 -1.47 -0.25 116.25 115.52 2kg7 h VAL 71 Ca -0.01 -0.14 -0.00 0.00 -1.23 0.00 0.00 66.70 65.33 2kg7 h VAL 71 Cb 0.69 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2kg7 h VAL 71 CO 0.01 0.07 -0.00 0.00 -1.23 0.00 0.00 177.57 176.42 2kg7 h ALA 72 N 1.81 -0.01 -0.15 5.19 0.00 -1.39 0.26 119.26 124.98 2kg7 h ALA 72 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2kg7 h ALA 72 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2kg7 h ALA 72 CO -0.03 -0.44 -0.47 1.96 0.00 0.00 0.00 179.25 180.27 2kg7 h GLN 73 N -0.14 0.37 -0.21 0.00 4.20 -1.38 0.16 115.11 118.12 2kg7 h GLN 73 Ca -0.00 -0.20 -0.16 0.00 0.06 0.00 0.00 58.65 58.35 2kg7 h GLN 73 Cb 0.13 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2kg7 h GLN 73 CO 0.00 0.77 -0.52 0.00 -0.67 0.00 0.00 178.83 178.41 2kg7 h ALA 74 N 1.20 0.71 0.22 3.87 0.00 -0.89 0.25 119.26 124.63 2kg7 h ALA 74 Ca 0.02 -0.50 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 2kg7 h ALA 74 Cb 0.95 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.67 2kg7 h ALA 74 CO 0.08 0.68 -1.51 -0.91 0.00 0.00 0.00 179.25 177.59 2kg7 h ASN 75 N 0.45 0.74 0.84 0.00 2.35 -0.37 -3.31 115.58 116.28 2kg7 h ASN 75 Ca 0.02 -0.84 -0.15 0.00 -0.55 0.00 0.00 56.30 54.77 2kg7 h ASN 75 Cb 1.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 2kg7 h ASN 75 CO 0.10 1.67 -0.72 -0.07 -1.65 0.00 0.00 177.43 176.76 2kg7 h LEU 76 N 0.13 0.00 0.00 1.61 3.38 -0.71 -3.47 115.31 116.25 2kg7 h LEU 76 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2kg7 h LEU 76 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 2kg7 h LEU 76 CO 0.25 0.72 0.00 0.61 0.09 0.00 0.00 178.44 180.11 2kg7 n GLY 77 N 0.71 1.61 0.43 0.83 0.00 0.87 -4.18 105.19 105.46 2kg7 n GLY 77 Ca -0.00 0.15 0.23 0.00 0.00 0.00 0.00 46.02 46.40 2kg7 n GLY 77 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kg7 h GLU 78 N 0.00 0.18 0.36 1.61 4.57 -1.92 -2.05 114.58 117.33 2kg7 h GLU 78 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2kg7 h GLU 78 Cb 0.00 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 2kg7 h GLU 78 CO 0.00 0.12 -0.49 0.00 -1.18 0.00 0.00 179.01 177.46 2kg7 h ALA 79 N 1.60 -1.02 -1.77 2.92 0.00 -1.79 -3.42 119.26 115.78 2kg7 h ALA 79 Ca 0.43 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.44 2kg7 h ALA 79 Cb 1.39 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.87 2kg7 h ALA 79 CO -0.08 -1.13 0.65 0.00 0.00 0.00 0.00 179.25 178.69 2kg7 n ALA 80 N -2.83 -2.55 0.00 0.00 0.00 -0.77 -3.02 120.51 111.34 2kg7 n ALA 80 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2kg7 n ALA 80 Cb 0.43 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2kg7 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kg7 n GLY 81 N -0.65 4.12 3.27 0.00 0.00 -1.26 -3.98 105.19 106.69 2kg7 n GLY 81 Ca 0.04 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2kg7 n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kg7 s THR 82 N -1.30 0.00 0.34 2.61 -1.32 -1.26 -5.10 115.64 109.61 2kg7 s THR 82 Ca 0.00 -1.90 0.09 0.00 -1.21 0.00 0.00 61.69 58.67 2kg7 s THR 82 Cb 0.00 -2.46 -0.06 0.00 -1.51 0.00 0.00 72.50 68.46 2kg7 s THR 82 CO 0.00 0.00 -0.09 -0.72 -2.21 0.00 0.00 174.62 171.60 2kg7 s TYR 83 N -4.05 2.36 -0.43 9.09 -0.85 -1.26 -5.11 117.35 117.11 2kg7 s TYR 83 Ca 0.37 -0.53 0.05 0.00 -0.52 0.00 0.00 57.07 56.43 2kg7 s TYR 83 Cb 0.05 -1.38 0.18 0.00 0.38 0.00 0.00 41.96 41.20 2kg7 s TYR 83 CO 0.13 0.54 0.44 0.28 -1.52 0.00 0.00 175.55 175.42 2kg7 n VAL 84 N -0.78 -0.94 -1.35 -3.49 0.31 -1.26 -5.04 118.33 105.78 2kg7 n VAL 84 Ca -0.05 -3.06 -0.41 0.00 -0.01 0.00 0.00 64.34 60.81 2kg7 n VAL 84 Cb 0.64 -1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 32.35 2kg7 n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kg7 n ALA 85 N 2.65 4.62 -0.03 3.52 0.00 -1.26 -4.21 120.51 125.80 2kg7 n ALA 85 Ca 0.26 -3.43 -0.03 0.00 0.00 0.00 0.00 53.44 50.25 2kg7 n ALA 85 Cb 0.50 -3.52 -0.06 0.00 0.00 0.00 0.00 19.45 16.37 2kg7 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 n ALA 86 N 6.36 1.88 -1.42 0.00 0.00 -1.26 -5.12 120.51 120.95 2kg7 n ALA 86 Ca 0.52 -0.48 0.19 0.00 0.00 0.00 0.00 53.44 53.67 2kg7 n ALA 86 Cb 0.36 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 2kg7 n ALA 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kg7 n ASP 87 N -2.22 -8.40 -3.81 0.00 -0.08 -1.26 -4.99 116.55 95.79 2kg7 n ASP 87 Ca -0.11 1.49 -0.10 0.00 -1.51 0.00 0.00 54.79 54.55 2kg7 n ASP 87 Cb 0.68 -4.18 -0.08 0.00 2.34 0.00 0.00 41.12 39.88 2kg7 n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kg7 s ALA 88 N -2.20 -0.46 -0.07 -1.67 0.00 -1.26 -5.06 121.76 111.04 2kg7 s ALA 88 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2kg7 s ALA 88 Cb 0.00 0.34 -0.25 0.00 0.00 0.00 0.00 23.12 23.20 2kg7 s ALA 88 CO 0.00 -0.41 0.56 0.00 0.00 0.00 0.00 175.76 175.91 2kg7 h ALA 89 N 3.24 0.53 -0.44 0.00 0.00 -1.94 -3.28 119.26 117.37 2kg7 h ALA 89 Ca -0.32 -1.37 -0.13 0.00 0.00 0.00 0.00 54.91 53.09 2kg7 h ALA 89 Cb 1.20 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2kg7 h ALA 89 CO 0.49 1.38 -0.22 0.00 0.00 0.00 0.00 179.25 180.89 2kg7 h ALA 90 N 0.47 0.77 0.54 0.00 0.00 -2.05 -3.31 119.26 115.69 2kg7 h ALA 90 Ca -0.34 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2kg7 h ALA 90 Cb 2.03 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.66 2kg7 h ALA 90 CO 0.10 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.75 2kg7 h ALA 91 N 0.96 -1.00 -2.52 0.00 0.00 -1.99 -3.44 119.26 111.26 2kg7 h ALA 91 Ca 0.10 -0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.32 2kg7 h ALA 91 Cb 0.77 0.28 0.17 0.00 0.00 0.00 0.00 17.79 19.02 2kg7 h ALA 91 CO 0.06 -0.95 0.33 -1.54 0.00 0.00 0.00 179.25 177.15 2kg7 s SER 92 N -3.58 3.67 0.27 0.00 1.04 -1.24 -5.04 113.70 108.83 2kg7 s SER 92 Ca -0.11 2.28 -0.02 0.00 0.48 0.00 0.00 55.95 58.58 2kg7 s SER 92 Cb 0.01 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.56 2kg7 s SER 92 CO 0.32 -2.61 0.40 0.41 0.98 0.00 0.00 173.24 172.74 2kg7 n THR 93 N -3.37 0.00 -3.86 2.02 -1.04 -1.26 -4.89 114.28 101.88 2kg7 n THR 93 Ca 0.13 -1.33 -0.11 0.00 -2.04 0.00 0.00 64.05 60.70 2kg7 n THR 93 Cb 0.51 0.84 -0.11 0.00 -1.82 0.00 0.00 70.33 69.75 2kg7 n THR 93 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2kg7 s TYR 94 N -3.43 -0.02 0.35 -1.42 -0.85 -1.26 -5.15 117.35 105.58 2kg7 s TYR 94 Ca 0.22 0.03 -0.27 0.00 -0.52 0.00 0.00 57.07 56.53 2kg7 s TYR 94 Cb -0.01 -0.02 -0.09 0.00 0.38 0.00 0.00 41.96 42.22 2kg7 s TYR 94 CO 0.16 -0.21 1.18 0.95 -1.52 0.00 0.00 175.55 176.10 2kg7 s THR 95 N -0.88 3.16 0.20 -3.49 -4.23 -1.26 -5.04 115.64 104.10 2kg7 s THR 95 Ca -0.10 1.06 0.04 0.00 -1.18 0.00 0.00 61.69 61.51 2kg7 s THR 95 Cb -0.05 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.14 2kg7 s THR 95 CO 0.01 0.17 0.19 0.61 -0.54 0.00 0.00 174.62 175.07 2kg7 n GLY 96 N 0.80 3.22 0.31 3.99 0.00 -1.26 -5.38 105.19 106.88 2kg7 n GLY 96 Ca 0.02 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.32 2kg7 n GLY 96 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29