#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 -0.02 -0.05 7.83 0.01 -1.26 -5.14 113.70 115.07 2kg7 s SER 2 Ca 0.00 0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.65 2kg7 s SER 2 Cb 0.00 1.27 0.04 0.00 0.21 0.00 0.00 66.02 67.54 2kg7 s SER 2 CO 0.00 -0.29 0.11 -1.48 0.41 0.00 0.00 173.24 171.99 2kg7 s LEU 3 N 2.59 0.78 -0.13 2.44 2.34 -1.26 -5.02 118.68 120.42 2kg7 s LEU 3 Ca 0.12 0.22 0.22 0.00 0.06 0.00 0.00 54.13 54.75 2kg7 s LEU 3 Cb -0.15 0.22 0.46 0.00 -0.56 0.00 0.00 46.19 46.16 2kg7 s LEU 3 CO -0.16 -0.15 1.15 0.18 -1.06 0.00 0.00 176.35 176.32 2kg7 n LEU 4 N 4.27 1.62 -2.59 1.48 4.32 -1.26 -4.96 117.00 119.88 2kg7 n LEU 4 Ca -0.26 -2.72 -0.18 0.00 -0.02 0.00 0.00 56.01 52.83 2kg7 n LEU 4 Cb 0.51 0.10 -0.00 0.00 -1.62 0.00 0.00 43.42 42.41 2kg7 n LEU 4 CO 0.18 0.88 -0.17 0.47 -1.22 0.00 0.00 177.39 177.54 2kg7 n ASP 5 N -0.12 -4.94 -0.06 -1.43 9.92 -1.26 -4.86 116.55 113.81 2kg7 n ASP 5 Ca 0.10 -0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.29 2kg7 n ASP 5 Cb 0.97 -4.11 -0.02 0.00 -0.64 0.00 0.00 41.12 37.31 2kg7 n ASP 5 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kg7 n ALA 6 N -2.45 1.37 -2.68 2.24 0.00 -1.26 -4.85 120.51 112.88 2kg7 n ALA 6 Ca -0.17 -0.62 -0.17 0.00 0.00 0.00 0.00 53.44 52.48 2kg7 n ALA 6 Cb 0.63 0.08 0.01 0.00 0.00 0.00 0.00 19.45 20.17 2kg7 n ALA 6 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kg7 n HIS 7 N -4.21 1.96 -3.56 0.00 8.25 -1.26 -5.09 115.22 111.30 2kg7 n HIS 7 Ca -0.11 -3.09 -0.30 0.00 -0.26 0.00 0.00 57.72 53.97 2kg7 n HIS 7 Cb 0.39 -0.30 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 2kg7 n HIS 7 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2kg7 s ILE 8 N -3.90 5.11 -1.11 1.59 -4.36 -1.26 -4.99 121.20 112.27 2kg7 s ILE 8 Ca 0.37 -0.03 -0.23 0.00 -0.26 0.00 0.00 60.65 60.50 2kg7 s ILE 8 Cb 0.42 -3.68 -0.08 0.00 1.25 0.00 0.00 42.46 40.37 2kg7 s ILE 8 CO -0.06 -0.13 1.94 -2.16 0.24 0.00 0.00 174.94 174.77 2kg7 s PRO 9 N -3.10 2.52 0.17 0.37 0.04 -1.26 -4.93 135.00 128.80 2kg7 s PRO 9 Ca 0.42 -0.94 0.07 0.00 0.04 0.00 0.00 61.00 60.59 2kg7 s PRO 9 Cb -0.11 -5.20 -0.04 0.00 0.04 0.00 0.00 34.50 29.19 2kg7 s PRO 9 CO 0.27 -3.82 -0.00 -1.14 0.04 0.00 0.00 177.00 172.35 2kg7 s GLN 10 N 6.60 2.41 -1.22 4.56 0.74 -1.26 -4.67 119.66 126.82 2kg7 s GLN 10 Ca 0.69 -1.08 -0.02 0.00 0.05 0.00 0.00 55.36 54.99 2kg7 s GLN 10 Cb -0.02 -2.37 -0.01 0.00 1.10 0.00 0.00 33.01 31.70 2kg7 s GLN 10 CO 0.10 0.46 0.85 1.28 -0.55 0.00 0.00 175.29 177.43 2kg7 n LEU 11 N -0.06 -3.80 -0.04 3.68 4.32 -1.26 -4.92 117.00 114.92 2kg7 n LEU 11 Ca -0.10 -0.74 -0.04 0.00 -0.02 0.00 0.00 56.01 55.11 2kg7 n LEU 11 Cb 0.55 -2.90 -0.06 0.00 -1.62 0.00 0.00 43.42 39.38 2kg7 n LEU 11 CO 0.39 0.36 -0.76 1.33 -1.22 0.00 0.00 177.39 177.48 2kg7 n VAL 12 N -4.07 0.55 -1.71 4.08 0.24 -1.26 -4.64 118.33 111.52 2kg7 n VAL 12 Ca -0.25 -0.34 -0.25 0.00 -2.04 0.00 0.00 64.34 61.45 2kg7 n VAL 12 Cb 0.66 -0.76 0.06 0.00 -1.47 0.00 0.00 33.84 32.34 2kg7 n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kg7 n ALA 13 N -2.29 5.40 0.04 2.33 0.00 -1.26 -4.68 120.51 120.05 2kg7 n ALA 13 Ca -0.13 -3.60 -0.10 0.00 0.00 0.00 0.00 53.44 49.61 2kg7 n ALA 13 Cb 0.75 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 19.35 2kg7 n ALA 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kg7 h SER 14 N 1.96 0.53 -0.61 0.00 4.64 -1.99 -3.21 113.55 114.87 2kg7 h SER 14 Ca 0.44 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2kg7 h SER 14 Cb 1.32 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 2kg7 h SER 14 CO 1.01 1.07 0.33 1.56 -0.87 0.00 0.00 176.83 179.92 2kg7 h GLN 15 N 0.32 0.86 -4.48 4.77 4.20 -1.96 -3.38 115.11 115.43 2kg7 h GLN 15 Ca -0.02 -0.11 -0.72 0.00 0.06 0.00 0.00 58.65 57.86 2kg7 h GLN 15 Cb 1.27 -0.17 -0.24 0.00 0.30 0.00 0.00 27.48 28.64 2kg7 h GLN 15 CO 0.12 0.66 -0.45 -1.54 -0.67 0.00 0.00 178.83 176.95 2kg7 s SER 16 N -5.94 5.86 0.48 1.46 1.04 -1.21 -4.94 113.70 110.45 2kg7 s SER 16 Ca -0.13 -1.17 0.13 0.00 0.48 0.00 0.00 55.95 55.27 2kg7 s SER 16 Cb 0.13 -2.07 1.13 0.00 0.10 0.00 0.00 66.02 65.31 2kg7 s SER 16 CO 0.78 -0.49 2.11 0.00 0.98 0.00 0.00 173.24 176.63 2kg7 h ALA 17 N 8.53 1.90 0.10 5.32 0.00 -1.76 -2.12 119.26 131.22 2kg7 h ALA 17 Ca -0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kg7 h ALA 17 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kg7 h ALA 17 CO 0.74 0.09 -0.05 0.35 0.00 0.00 0.00 179.25 180.39 2kg7 h PHE 18 N 0.17 -0.12 -0.70 0.00 3.57 -1.89 -3.15 116.94 114.81 2kg7 h PHE 18 Ca 0.04 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2kg7 h PHE 18 Cb -0.00 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2kg7 h PHE 18 CO 0.00 0.31 0.46 0.00 -2.23 0.00 0.00 178.31 176.85 2kg7 h ALA 19 N 0.22 1.80 -0.61 2.41 0.00 -1.64 -0.81 119.26 120.63 2kg7 h ALA 19 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kg7 h ALA 19 Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2kg7 h ALA 19 CO 0.02 0.07 0.40 0.00 0.00 0.00 0.00 179.25 179.75 2kg7 h ALA 20 N 1.63 1.71 0.03 0.00 0.00 -1.36 -1.96 119.26 119.32 2kg7 h ALA 20 Ca 0.31 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 2kg7 h ALA 20 Cb 0.38 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kg7 h ALA 20 CO -0.11 0.22 -1.03 0.87 0.00 0.00 0.00 179.25 179.19 2kg7 h LYS 21 N 0.68 0.45 -0.41 0.00 1.57 -1.13 -2.87 116.57 114.86 2kg7 h LYS 21 Ca 0.25 -0.53 0.07 0.00 -1.87 0.00 0.00 60.65 58.57 2kg7 h LYS 21 Cb 0.13 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 2kg7 h LYS 21 CO -0.07 1.18 0.04 0.00 -0.57 0.00 0.00 179.45 180.04 2kg7 h ALA 22 N 0.62 0.42 -0.25 3.86 0.00 -0.85 0.58 119.26 123.63 2kg7 h ALA 22 Ca -0.11 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2kg7 h ALA 22 Cb 1.69 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2kg7 h ALA 22 CO 0.18 -0.36 -0.54 0.78 0.00 0.00 0.00 179.25 179.32 2kg7 h GLY 23 N 0.16 0.81 2.00 0.00 0.00 -1.56 -3.00 103.07 101.47 2kg7 h GLY 23 Ca 0.20 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2kg7 h GLY 23 CO -0.30 0.84 -0.15 1.41 0.00 0.00 0.00 176.54 178.34 2kg7 h LEU 24 N 0.57 0.00 0.58 3.11 -0.00 -1.19 -2.93 115.31 115.46 2kg7 h LEU 24 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.87 2kg7 h LEU 24 Cb 1.12 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.78 2kg7 h LEU 24 CO 0.11 0.15 -0.28 -0.03 -0.00 0.00 0.00 178.44 178.40 2kg7 h MET 25 N 0.00 -0.76 -0.62 1.13 4.05 -0.76 -3.03 114.93 114.95 2kg7 h MET 25 Ca -0.00 0.05 0.18 0.00 -0.28 0.00 0.00 59.70 59.65 2kg7 h MET 25 Cb 0.37 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 2kg7 h MET 25 CO 0.02 -0.46 0.48 -0.09 0.23 0.00 0.00 176.91 177.09 2kg7 h ARG 26 N -1.13 0.00 -0.26 0.39 9.65 -1.53 0.24 114.38 121.73 2kg7 h ARG 26 Ca -0.08 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 2kg7 h ARG 26 Cb 0.64 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2kg7 h ARG 26 CO 0.13 0.00 -0.09 1.25 2.80 0.00 0.00 179.97 184.06 2kg7 h HIS 27 N 0.00 0.43 -0.44 2.20 2.76 -1.40 -0.15 115.15 118.55 2kg7 h HIS 27 Ca 0.29 -0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.27 2kg7 h HIS 27 Cb 1.25 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 2kg7 h HIS 27 CO 0.00 0.50 -0.29 1.15 -1.30 0.00 0.00 177.93 177.99 2kg7 h THR 28 N 0.39 1.27 0.03 6.26 2.02 -0.45 -2.28 112.91 120.15 2kg7 h THR 28 Ca 0.08 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 2kg7 h THR 28 Cb 0.40 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2kg7 h THR 28 CO 0.02 0.49 -0.01 0.40 0.37 0.00 0.00 175.52 176.79 2kg7 h ILE 29 N 0.80 1.41 -0.60 3.11 5.03 -1.41 -1.20 117.51 124.66 2kg7 h ILE 29 Ca 0.09 -1.48 0.10 0.00 -0.12 0.00 0.00 64.86 63.44 2kg7 h ILE 29 Cb 0.87 2.39 -0.07 0.00 -3.03 0.00 0.00 36.82 36.98 2kg7 h ILE 29 CO 0.08 0.37 0.21 1.23 -0.68 0.00 0.00 178.15 179.36 2kg7 h GLY 30 N -0.69 0.83 1.67 5.37 0.00 -1.09 0.21 103.07 109.36 2kg7 h GLY 30 Ca -0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 2kg7 h GLY 30 CO 0.01 -0.03 -0.68 1.46 0.00 0.00 0.00 176.54 177.30 2kg7 h GLN 31 N 0.38 0.33 -0.10 4.80 1.08 -1.49 -2.76 115.11 117.35 2kg7 h GLN 31 Ca 0.30 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2kg7 h GLN 31 Cb 0.39 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2kg7 h GLN 31 CO -0.32 0.89 0.01 0.00 -0.95 0.00 0.00 178.83 178.46 2kg7 h ALA 32 N 1.04 0.14 0.24 3.87 0.00 -0.21 -2.39 119.26 121.94 2kg7 h ALA 32 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kg7 h ALA 32 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kg7 h ALA 32 CO 0.11 -0.19 -0.12 0.93 0.00 0.00 0.00 179.25 179.98 2kg7 h GLU 33 N -0.08 -0.32 -0.99 0.00 4.39 -0.67 0.16 114.58 117.07 2kg7 h GLU 33 Ca 0.03 0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.93 2kg7 h GLU 33 Cb 0.32 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 28.95 2kg7 h GLU 33 CO 0.00 -0.21 0.61 0.37 -1.16 0.00 0.00 179.01 178.63 2kg7 h GLN 34 N -0.33 0.73 0.00 2.33 4.15 -1.51 0.12 115.11 120.61 2kg7 h GLN 34 Ca -0.03 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.15 2kg7 h GLN 34 Cb 0.26 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2kg7 h GLN 34 CO 0.05 0.48 -0.87 0.00 -1.93 0.00 0.00 178.83 176.56 2kg7 h ALA 35 N 1.62 0.53 0.38 3.38 0.00 -1.00 -2.12 119.26 122.05 2kg7 h ALA 35 Ca 0.54 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kg7 h ALA 35 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kg7 h ALA 35 CO -0.32 0.93 -0.18 0.00 0.00 0.00 0.00 179.25 179.67 2kg7 h ALA 36 N 1.00 -0.51 -0.65 0.00 0.00 0.17 0.19 119.26 119.47 2kg7 h ALA 36 Ca -0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2kg7 h ALA 36 Cb 1.50 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 2kg7 h ALA 36 CO 0.13 -0.61 0.19 0.00 0.00 0.00 0.00 179.25 178.96 2kg7 h MET 37 N -0.87 1.00 0.13 0.00 -0.00 -1.06 0.24 114.93 114.36 2kg7 h MET 37 Ca -0.05 -0.21 -0.01 0.00 -0.00 0.00 0.00 59.70 59.44 2kg7 h MET 37 Cb 0.54 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 2kg7 h MET 37 CO 0.09 0.86 -0.06 1.03 -0.00 0.00 0.00 176.91 178.83 2kg7 h SER 38 N 0.96 -0.14 -0.10 -0.10 0.87 -1.40 0.18 113.55 113.82 2kg7 h SER 38 Ca 0.21 -0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 2kg7 h SER 38 Cb 0.29 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2kg7 h SER 38 CO -0.01 0.25 -0.12 0.00 -0.53 0.00 0.00 176.83 176.42 2kg7 h ALA 39 N 0.24 1.30 -0.00 6.23 0.00 -0.54 -1.95 119.26 124.54 2kg7 h ALA 39 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kg7 h ALA 39 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kg7 h ALA 39 CO 0.03 0.47 -0.18 0.94 0.00 0.00 0.00 179.25 180.50 2kg7 n GLN 40 N -4.22 0.38 0.26 0.00 7.27 0.84 -3.77 117.38 118.15 2kg7 n GLN 40 Ca 0.00 -0.14 0.09 0.00 0.07 0.00 0.00 57.00 57.02 2kg7 n GLN 40 Cb 0.31 -1.50 0.66 0.00 2.41 0.00 0.00 30.24 32.12 2kg7 n GLN 40 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kg7 h ALA 41 N 3.34 1.92 -2.10 1.69 0.00 0.19 -3.41 119.26 120.89 2kg7 h ALA 41 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 2kg7 h ALA 41 Cb 0.43 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.31 2kg7 h ALA 41 CO 0.00 0.02 0.39 1.97 0.00 0.00 0.00 179.25 181.64 2kg7 n PHE 42 N -4.44 1.72 -2.48 0.00 -1.74 -1.25 -0.12 117.46 109.16 2kg7 n PHE 42 Ca -0.03 0.58 -0.13 0.00 -0.56 0.00 0.00 57.45 57.31 2kg7 n PHE 42 Cb 0.11 -2.36 -0.01 0.00 1.52 0.00 0.00 39.48 38.74 2kg7 n PHE 42 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 2kg7 n HIS 43 N 1.26 -1.43 0.00 2.97 8.25 -1.26 -4.66 115.22 120.34 2kg7 n HIS 43 Ca 0.11 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2kg7 n HIS 43 Cb 0.30 -2.81 0.00 0.00 1.12 0.00 0.00 29.99 28.60 2kg7 n HIS 43 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2kg7 n GLN 44 N -2.86 0.00 -1.64 -0.41 7.27 0.23 -5.09 117.38 114.89 2kg7 n GLN 44 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 2kg7 n GLN 44 Cb 0.61 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.26 2kg7 n GLN 44 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kg7 n GLY 45 N 0.84 0.56 3.16 1.69 0.00 0.84 -4.48 105.19 107.80 2kg7 n GLY 45 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 2kg7 n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kg7 n GLU 46 N -0.70 -1.52 -3.15 1.61 1.02 -1.26 -5.02 120.64 111.61 2kg7 n GLU 46 Ca 0.00 1.29 0.06 0.00 -0.02 0.00 0.00 57.16 58.49 2kg7 n GLU 46 Cb 0.39 -5.53 -0.00 0.00 -0.02 0.00 0.00 31.44 26.28 2kg7 n GLU 46 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kg7 s SER 47 N -3.10 -0.05 -0.20 1.62 1.04 -1.26 -5.17 113.70 106.58 2kg7 s SER 47 Ca 0.11 0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.28 2kg7 s SER 47 Cb -0.02 1.03 0.07 0.00 0.10 0.00 0.00 66.02 67.21 2kg7 s SER 47 CO 0.76 -0.01 0.71 -0.55 0.98 0.00 0.00 173.24 175.13 2kg7 s SER 48 N 2.99 -0.72 -0.10 7.02 0.15 -1.26 -4.90 113.70 116.88 2kg7 s SER 48 Ca 0.30 1.21 -0.21 0.00 0.70 0.00 0.00 55.95 57.94 2kg7 s SER 48 Cb 0.00 1.16 -0.27 0.00 -1.71 0.00 0.00 66.02 65.20 2kg7 s SER 48 CO -0.21 -0.37 0.68 0.00 1.20 0.00 0.00 173.24 174.54 2kg7 h ALA 49 N 4.34 0.06 0.06 5.45 0.00 -2.02 -3.16 119.26 123.98 2kg7 h ALA 49 Ca -0.28 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 53.78 2kg7 h ALA 49 Cb 1.15 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2kg7 h ALA 49 CO 0.16 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.86 2kg7 h ALA 50 N -0.05 -0.07 -0.61 0.00 0.00 -2.01 -2.49 119.26 114.03 2kg7 h ALA 50 Ca -0.19 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.74 2kg7 h ALA 50 Cb 1.50 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2kg7 h ALA 50 CO 0.05 -0.50 0.41 0.35 0.00 0.00 0.00 179.25 179.56 2kg7 h PHE 51 N -0.17 0.54 0.35 0.00 3.04 -1.99 -2.44 116.94 116.28 2kg7 h PHE 51 Ca -0.01 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 2kg7 h PHE 51 Cb 0.14 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.48 2kg7 h PHE 51 CO -0.04 0.28 -0.17 0.37 -2.02 0.00 0.00 178.31 176.72 2kg7 h GLN 52 N 0.53 -0.46 -0.33 1.11 4.15 -1.43 0.24 115.11 118.92 2kg7 h GLN 52 Ca 0.27 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.80 2kg7 h GLN 52 Cb 0.39 0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 2kg7 h GLN 52 CO -0.08 -0.22 -0.18 0.00 -1.93 0.00 0.00 178.83 176.41 2kg7 h ALA 53 N -0.01 0.06 -0.59 3.38 0.00 -1.02 0.27 119.26 121.34 2kg7 h ALA 53 Ca -0.05 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2kg7 h ALA 53 Cb 0.45 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2kg7 h ALA 53 CO 0.08 -0.57 0.06 0.00 0.00 0.00 0.00 179.25 178.82 2kg7 h ALA 54 N 1.08 1.00 -0.48 0.00 0.00 -1.43 -2.17 119.26 117.26 2kg7 h ALA 54 Ca 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2kg7 h ALA 54 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kg7 h ALA 54 CO -0.41 0.63 0.08 1.25 0.00 0.00 0.00 179.25 180.79 2kg7 h HIS 55 N 0.91 0.77 -0.02 0.00 6.17 0.58 -2.41 115.15 121.16 2kg7 h HIS 55 Ca 0.18 -0.08 -0.13 0.00 0.71 0.00 0.00 60.37 61.05 2kg7 h HIS 55 Cb 0.44 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.14 2kg7 h HIS 55 CO 0.03 0.67 -0.61 0.00 0.71 0.00 0.00 177.93 178.73 2kg7 h ALA 56 N 1.38 0.95 -0.29 5.26 0.00 -0.20 -2.97 119.26 123.38 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 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kg7 h ALA 56 CO 0.00 0.76 -0.20 0.00 0.00 0.00 0.00 179.25 179.81 2kg7 h ARG 57 N 0.05 0.53 0.26 0.00 3.08 -0.90 -2.08 114.38 115.31 2kg7 h ARG 57 Ca -0.01 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2kg7 h ARG 57 Cb 1.10 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2kg7 h ARG 57 CO 0.08 0.70 -0.12 0.35 -1.07 0.00 0.00 179.97 179.91 2kg7 h PHE 58 N 0.47 -0.32 -0.67 3.04 3.57 -1.39 -2.97 116.94 118.67 2kg7 h PHE 58 Ca 0.08 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.68 2kg7 h PHE 58 Cb 0.62 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 2kg7 h PHE 58 CO 0.02 0.05 0.45 -0.24 -2.23 0.00 0.00 178.31 176.36 2kg7 h VAL 59 N -0.82 0.87 -0.56 1.41 3.04 -1.53 0.28 116.25 118.93 2kg7 h VAL 59 Ca -0.04 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 2kg7 h VAL 59 Cb 0.51 0.38 -0.03 0.00 -2.01 0.00 0.00 31.29 30.15 2kg7 h VAL 59 CO 0.06 0.08 0.29 0.00 -1.01 0.00 0.00 177.57 176.99 2kg7 h ALA 60 N 1.67 0.72 0.12 3.17 0.00 -1.35 -2.84 119.26 120.75 2kg7 h ALA 60 Ca 0.32 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.84 2kg7 h ALA 60 Cb 0.64 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kg7 h ALA 60 CO -0.10 0.26 -1.22 0.00 0.00 0.00 0.00 179.25 178.19 2kg7 h ALA 61 N 1.12 0.10 -0.76 0.00 0.00 -1.07 -3.26 119.26 115.39 2kg7 h ALA 61 Ca 0.19 -0.85 0.20 0.00 0.00 0.00 0.00 54.91 54.46 2kg7 h ALA 61 Cb 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2kg7 h ALA 61 CO -0.03 0.90 0.53 0.00 0.00 0.00 0.00 179.25 180.66 2kg7 h ALA 62 N 0.55 2.53 -0.14 0.00 0.00 -0.36 0.24 119.26 122.07 2kg7 h ALA 62 Ca -0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2kg7 h ALA 62 Cb 1.93 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2kg7 h ALA 62 CO 0.21 -0.75 -0.17 0.00 0.00 0.00 0.00 179.25 178.54 2kg7 h ALA 63 N 1.63 1.45 0.08 0.00 0.00 -1.55 0.68 119.26 121.55 2kg7 h ALA 63 Ca 0.37 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kg7 h ALA 63 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kg7 h ALA 63 CO -0.05 0.38 -0.04 -0.22 0.00 0.00 0.00 179.25 179.33 2kg7 h LYS 64 N 0.22 -0.10 -0.12 0.00 3.11 -0.69 -2.19 116.57 116.80 2kg7 h LYS 64 Ca 0.04 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.85 2kg7 h LYS 64 Cb 0.43 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2kg7 h LYS 64 CO 0.03 0.47 -0.11 -0.24 -2.81 0.00 0.00 179.45 176.78 2kg7 h VAL 65 N -0.82 1.15 0.18 2.00 3.04 -1.42 -1.98 116.25 118.39 2kg7 h VAL 65 Ca -0.01 -0.66 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 2kg7 h VAL 65 Cb 0.61 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2kg7 h VAL 65 CO 0.02 0.21 -0.08 -1.13 -1.01 0.00 0.00 177.57 175.57 2kg7 h ASN 66 N 0.18 -0.20 -0.50 3.17 -1.24 -0.92 -2.62 115.58 113.45 2kg7 h ASN 66 Ca 0.04 -0.32 0.06 0.00 0.71 0.00 0.00 56.30 56.79 2kg7 h ASN 66 Cb 0.31 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.36 2kg7 h ASN 66 CO 0.02 0.27 0.20 0.74 -1.29 0.00 0.00 177.43 177.36 2kg7 h THR 67 N -0.74 0.86 -0.62 -3.57 2.02 -1.28 -1.22 112.91 108.37 2kg7 h THR 67 Ca -0.02 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2kg7 h THR 67 Cb 0.51 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2kg7 h THR 67 CO 0.04 0.07 0.41 -0.07 0.37 0.00 0.00 175.52 176.34 2kg7 h LEU 68 N 0.39 0.59 -0.43 2.58 3.38 -1.42 -1.99 115.31 118.42 2kg7 h LEU 68 Ca 0.23 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2kg7 h LEU 68 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2kg7 h LEU 68 CO -0.22 0.40 0.28 -0.07 0.09 0.00 0.00 178.44 178.92 2kg7 h LEU 69 N 0.68 0.47 -0.90 1.67 3.38 -0.82 0.72 115.31 120.52 2kg7 h LEU 69 Ca 0.25 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2kg7 h LEU 69 Cb 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2kg7 h LEU 69 CO -0.07 0.34 -0.09 -0.78 0.09 0.00 0.00 178.44 177.93 2kg7 h ASP 70 N 0.56 0.70 0.24 -0.43 1.82 -1.13 -2.71 116.42 115.48 2kg7 h ASP 70 Ca 0.16 -0.19 -0.12 0.00 -0.39 0.00 0.00 57.03 56.48 2kg7 h ASP 70 Cb -0.05 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.76 2kg7 h ASP 70 CO -0.04 0.82 -0.48 0.58 -1.61 0.00 0.00 179.24 178.51 2kg7 h VAL 71 N 0.66 1.34 -0.08 2.25 2.07 -0.90 -1.59 116.25 119.99 2kg7 h VAL 71 Ca 0.12 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 2kg7 h VAL 71 Cb 0.54 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2kg7 h VAL 71 CO 0.03 0.51 0.03 0.00 0.02 0.00 0.00 177.57 178.16 2kg7 h ALA 72 N 1.27 0.10 -0.18 1.67 0.00 -0.56 0.17 119.26 121.73 2kg7 h ALA 72 Ca 0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2kg7 h ALA 72 Cb 0.93 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kg7 h ALA 72 CO 0.08 -0.32 -0.48 1.96 0.00 0.00 0.00 179.25 180.48 2kg7 h GLN 73 N -0.03 0.48 -0.18 0.00 4.20 -1.50 -1.00 115.11 117.09 2kg7 h GLN 73 Ca 0.03 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.33 2kg7 h GLN 73 Cb 0.16 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2kg7 h GLN 73 CO -0.00 0.86 -0.44 0.00 -0.67 0.00 0.00 178.83 178.58 2kg7 h ALA 74 N 1.10 0.91 0.09 3.87 0.00 -1.14 0.14 119.26 124.22 2kg7 h ALA 74 Ca 0.02 -0.45 -0.27 0.00 0.00 0.00 0.00 54.91 54.21 2kg7 h ALA 74 Cb 0.99 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.71 2kg7 h ALA 74 CO 0.09 0.64 -1.13 -0.91 0.00 0.00 0.00 179.25 177.94 2kg7 h ASN 75 N 0.35 0.83 0.51 0.00 -0.26 -0.54 -3.28 115.58 113.19 2kg7 h ASN 75 Ca 0.03 -0.81 -0.16 0.00 -0.56 0.00 0.00 56.30 54.79 2kg7 h ASN 75 Cb 0.92 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 2kg7 h ASN 75 CO 0.08 1.56 -0.72 -0.07 -1.06 0.00 0.00 177.43 177.21 2kg7 h LEU 76 N 0.22 0.21 0.00 1.61 3.38 -1.16 -3.47 115.31 116.09 2kg7 h LEU 76 Ca -0.17 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2kg7 h LEU 76 Cb 1.81 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2kg7 h LEU 76 CO 0.22 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.21 2kg7 n GLY 77 N 0.52 1.65 0.36 0.83 0.00 0.47 -4.39 105.19 104.64 2kg7 n GLY 77 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.03 2kg7 n GLY 77 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kg7 h GLU 78 N 0.00 0.91 0.12 1.61 5.08 -1.91 -0.54 114.58 119.85 2kg7 h GLU 78 Ca 0.00 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2kg7 h GLU 78 Cb 0.00 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 2kg7 h GLU 78 CO 0.00 0.60 -0.35 0.00 -1.00 0.00 0.00 179.01 178.26 2kg7 h ALA 79 N 1.54 -0.61 0.40 3.43 0.00 -1.77 -3.13 119.26 119.12 2kg7 h ALA 79 Ca 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2kg7 h ALA 79 Cb 0.27 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kg7 h ALA 79 CO -0.15 -0.90 -0.19 0.00 0.00 0.00 0.00 179.25 178.01 2kg7 h ALA 80 N 0.02 -0.54 0.00 0.00 0.00 -1.51 -3.36 119.26 113.87 2kg7 h ALA 80 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kg7 h ALA 80 Cb 0.61 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kg7 h ALA 80 CO -0.21 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 178.80 2kg7 n GLY 81 N -0.47 0.80 3.16 0.00 0.00 -0.24 -5.03 105.19 103.40 2kg7 n GLY 81 Ca -0.10 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 2kg7 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kg7 s THR 82 N 0.00 0.58 0.12 2.61 2.01 -1.25 -5.07 115.64 114.64 2kg7 s THR 82 Ca 0.00 -1.91 -0.25 0.00 0.31 0.00 0.00 61.69 59.83 2kg7 s THR 82 Cb 0.00 -1.70 0.07 0.00 0.01 0.00 0.00 72.50 70.88 2kg7 s THR 82 CO 0.00 -0.85 0.88 -0.72 -0.69 0.00 0.00 174.62 173.23 2kg7 s TYR 83 N -3.70 -0.24 -0.43 4.92 -0.85 -1.26 -4.94 117.35 110.86 2kg7 s TYR 83 Ca 0.12 -0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.70 2kg7 s TYR 83 Cb 0.06 0.61 0.18 0.00 0.38 0.00 0.00 41.96 43.19 2kg7 s TYR 83 CO -0.05 -0.79 0.44 0.28 -1.52 0.00 0.00 175.55 173.91 2kg7 n VAL 84 N -0.39 -0.94 -1.36 -3.49 0.31 -1.26 -5.04 118.33 106.16 2kg7 n VAL 84 Ca -0.08 -3.07 -0.40 0.00 -0.01 0.00 0.00 64.34 60.78 2kg7 n VAL 84 Cb 0.61 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 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 4.69 -0.04 3.52 0.00 -1.26 -4.27 120.51 125.79 2kg7 n ALA 85 Ca 0.26 -3.44 -0.02 0.00 0.00 0.00 0.00 53.44 50.24 2kg7 n ALA 85 Cb 0.50 -3.52 -0.10 0.00 0.00 0.00 0.00 19.45 16.33 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 6.30 1.95 -3.38 0.00 0.00 -1.26 -5.05 120.51 119.08 2kg7 n ALA 86 Ca 0.52 -0.67 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 2kg7 n ALA 86 Cb 0.36 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 2kg7 n ALA 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kg7 s ASP 87 N -4.23 -0.51 0.20 0.00 -4.77 -1.26 -5.18 116.67 100.92 2kg7 s ASP 87 Ca -0.06 0.27 0.08 0.00 -3.30 0.00 0.00 52.55 49.54 2kg7 s ASP 87 Cb 0.05 0.52 -0.05 0.00 -1.09 0.00 0.00 42.92 42.36 2kg7 s ASP 87 CO 0.53 -0.74 -0.15 0.00 0.70 0.00 0.00 175.17 175.52 2kg7 s ALA 88 N -2.38 2.01 0.53 2.11 0.00 -1.26 -5.02 121.76 117.74 2kg7 s ALA 88 Ca -0.06 -1.65 0.25 0.00 0.00 0.00 0.00 51.96 50.51 2kg7 s ALA 88 Cb -0.01 -0.09 1.39 0.00 0.00 0.00 0.00 23.12 24.41 2kg7 s ALA 88 CO -0.01 0.08 1.98 0.00 0.00 0.00 0.00 175.76 177.81 2kg7 h ALA 89 N 2.61 2.51 0.32 0.00 0.00 -2.03 -1.66 119.26 121.01 2kg7 h ALA 89 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kg7 h ALA 89 Cb 1.22 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2kg7 h ALA 89 CO 0.61 -0.67 -0.45 0.00 0.00 0.00 0.00 179.25 178.74 2kg7 h ALA 90 N 1.72 -0.94 0.00 0.00 0.00 -2.04 -2.41 119.26 115.59 2kg7 h ALA 90 Ca 0.27 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2kg7 h ALA 90 Cb 1.06 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2kg7 h ALA 90 CO -0.01 -1.08 -0.46 0.00 0.00 0.00 0.00 179.25 177.70 2kg7 h ALA 91 N -0.51 1.17 -2.06 0.00 0.00 -1.85 -3.49 119.26 112.53 2kg7 h ALA 91 Ca -0.02 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2kg7 h ALA 91 Cb 0.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kg7 h ALA 91 CO -0.14 0.58 -0.06 0.45 0.00 0.00 0.00 179.25 180.07 2kg7 n SER 92 N -3.90 -6.05 -2.71 0.00 2.88 -0.67 -4.88 113.62 98.28 2kg7 n SER 92 Ca -0.01 0.19 -0.08 0.00 -1.33 0.00 0.00 58.87 57.64 2kg7 n SER 92 Cb 0.50 -0.54 0.04 0.00 -0.75 0.00 0.00 64.21 63.46 2kg7 n SER 92 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2kg7 n THR 93 N -2.19 0.00 -0.04 2.46 -1.04 -1.26 -4.92 114.28 107.29 2kg7 n THR 93 Ca 0.00 -0.42 -0.03 0.00 -2.04 0.00 0.00 64.05 61.55 2kg7 n THR 93 Cb 0.08 -1.41 -0.08 0.00 -1.82 0.00 0.00 70.33 67.10 2kg7 n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kg7 n TYR 94 N -2.04 0.00 -2.48 -1.42 4.11 -1.26 -5.12 117.16 108.95 2kg7 n TYR 94 Ca 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.04 2kg7 n TYR 94 Cb 0.18 -0.43 -0.02 0.00 -0.00 0.00 0.00 39.34 39.06 2kg7 n TYR 94 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2kg7 n THR 95 N -2.28 0.00 -0.02 -3.48 -1.04 -1.26 -5.01 114.28 101.20 2kg7 n THR 95 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2kg7 n THR 95 Cb 0.73 -0.22 -0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2kg7 n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kg7 n GLY 96 N -1.96 -1.55 0.00 3.41 0.00 -1.26 -5.34 105.19 98.49 2kg7 n GLY 96 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2kg7 n GLY 96 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65