#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 -0.20 -0.76 7.83 1.04 -1.26 -5.11 113.70 115.25 2kg7 s SER 2 Ca 0.00 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.54 2kg7 s SER 2 Cb 0.00 1.18 0.19 0.00 0.10 0.00 0.00 66.02 67.49 2kg7 s SER 2 CO 0.00 -0.04 0.62 -0.76 0.98 0.00 0.00 173.24 174.04 2kg7 s LEU 3 N 2.85 5.54 -0.23 2.42 1.43 -1.26 -4.84 118.68 124.59 2kg7 s LEU 3 Ca -0.06 -3.19 -0.04 0.00 -1.03 0.00 0.00 54.13 49.82 2kg7 s LEU 3 Cb -0.08 -1.92 -0.19 0.00 0.03 0.00 0.00 46.19 44.04 2kg7 s LEU 3 CO -0.09 -0.32 -0.08 0.18 0.23 0.00 0.00 176.35 176.26 2kg7 n LEU 4 N 3.07 2.69 -2.26 1.79 7.99 -1.26 -4.62 117.00 124.41 2kg7 n LEU 4 Ca 0.14 0.04 -0.10 0.00 -0.01 0.00 0.00 56.01 56.08 2kg7 n LEU 4 Cb 0.38 -0.95 0.04 0.00 -0.11 0.00 0.00 43.42 42.79 2kg7 n LEU 4 CO 0.35 0.83 0.10 -0.90 -1.51 0.00 0.00 177.39 176.26 2kg7 n ASP 5 N -3.52 3.08 -0.03 -1.43 5.75 -1.26 -4.77 116.55 114.38 2kg7 n ASP 5 Ca -0.43 -2.92 -0.04 0.00 -0.01 0.00 0.00 54.79 51.38 2kg7 n ASP 5 Cb 0.97 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.62 2kg7 n ASP 5 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kg7 n ALA 6 N -0.62 1.87 -3.19 2.12 0.00 -1.26 -4.84 120.51 114.59 2kg7 n ALA 6 Ca 0.25 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 2kg7 n ALA 6 Cb 0.89 0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.60 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 -2.59 2.03 -4.40 0.00 -0.00 -1.26 -5.08 115.22 103.91 2kg7 n HIS 7 Ca -0.11 -3.90 -0.27 0.00 -0.00 0.00 0.00 57.72 53.44 2kg7 n HIS 7 Cb 0.63 -0.46 -0.12 0.00 -0.00 0.00 0.00 29.99 30.03 2kg7 n HIS 7 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 2kg7 s ILE 8 N -2.69 2.25 -1.03 3.57 -4.36 -1.26 -5.05 121.20 112.63 2kg7 s ILE 8 Ca 0.41 -1.90 -0.23 0.00 -0.26 0.00 0.00 60.65 58.68 2kg7 s ILE 8 Cb 0.23 -2.03 -0.12 0.00 1.25 0.00 0.00 42.46 41.80 2kg7 s ILE 8 CO -0.08 -0.05 1.92 -0.81 0.24 0.00 0.00 174.94 176.16 2kg7 n PRO 9 N 0.56 1.54 -1.60 0.37 -0.04 -1.26 -4.94 135.00 129.63 2kg7 n PRO 9 Ca -0.15 -2.24 -0.29 0.00 -0.04 0.00 0.00 63.50 60.78 2kg7 n PRO 9 Cb 0.55 -3.45 0.12 0.00 -0.04 0.00 0.00 33.50 30.68 2kg7 n PRO 9 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2kg7 s GLN 10 N 6.01 1.39 -1.65 0.54 0.00 -1.26 -3.76 119.66 120.93 2kg7 s GLN 10 Ca 0.65 0.30 0.00 0.00 -0.00 0.00 0.00 55.36 56.31 2kg7 s GLN 10 Cb 0.05 -1.87 0.00 0.00 0.00 0.00 0.00 33.01 31.19 2kg7 s GLN 10 CO 0.14 -2.03 0.00 1.28 0.00 0.00 0.00 175.29 174.68 2kg7 n LEU 11 N -3.65 -0.98 -0.04 2.60 7.99 -1.26 -4.79 117.00 116.87 2kg7 n LEU 11 Ca 0.07 0.38 -0.09 0.00 -0.01 0.00 0.00 56.01 56.37 2kg7 n LEU 11 Cb 0.59 -2.56 -0.03 0.00 -0.11 0.00 0.00 43.42 41.32 2kg7 n LEU 11 CO 0.57 -0.96 -0.66 0.52 -1.51 0.00 0.00 177.39 175.35 2kg7 n VAL 12 N -2.40 0.80 -1.16 4.08 0.31 -1.25 -4.70 118.33 114.01 2kg7 n VAL 12 Ca -0.16 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 2kg7 n VAL 12 Cb 0.58 -1.71 0.24 0.00 -0.91 0.00 0.00 33.84 32.05 2kg7 n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kg7 n ALA 13 N -3.58 4.97 0.08 3.52 0.00 -1.26 -4.43 120.51 119.81 2kg7 n ALA 13 Ca -0.15 -2.64 -0.16 0.00 0.00 0.00 0.00 53.44 50.49 2kg7 n ALA 13 Cb 0.50 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 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 1.83 0.58 -0.49 0.00 0.87 -1.94 -3.04 113.55 111.35 2kg7 h SER 14 Ca 0.42 -0.51 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2kg7 h SER 14 Cb 2.50 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 64.25 2kg7 h SER 14 CO 0.86 1.33 0.29 1.56 -0.53 0.00 0.00 176.83 180.35 2kg7 h GLN 15 N 0.21 0.57 -0.61 2.24 4.20 -1.93 -3.42 115.11 116.37 2kg7 h GLN 15 Ca -0.11 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.71 2kg7 h GLN 15 Cb 1.73 -0.13 -0.20 0.00 0.30 0.00 0.00 27.48 29.18 2kg7 h GLN 15 CO 0.19 0.38 -0.14 -1.54 -0.67 0.00 0.00 178.83 177.05 2kg7 s SER 16 N -5.57 -0.95 -0.12 1.46 1.04 -1.24 -4.86 113.70 103.45 2kg7 s SER 16 Ca -0.13 0.26 0.19 0.00 0.48 0.00 0.00 55.95 56.75 2kg7 s SER 16 Cb 0.13 1.66 -0.27 0.00 0.10 0.00 0.00 66.02 67.64 2kg7 s SER 16 CO 0.74 -0.18 0.27 0.00 0.98 0.00 0.00 173.24 175.05 2kg7 n ALA 17 N 5.32 1.91 0.08 5.32 0.00 -1.15 -4.29 120.51 127.71 2kg7 n ALA 17 Ca 0.03 -1.02 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 2kg7 n ALA 17 Cb 0.55 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 2kg7 n ALA 17 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2kg7 h PHE 18 N 0.00 -0.17 -0.97 0.00 3.04 -1.89 -2.93 116.94 114.02 2kg7 h PHE 18 Ca -0.35 -0.00 0.17 0.00 3.98 0.00 0.00 57.97 61.77 2kg7 h PHE 18 Cb 1.83 0.06 -0.09 0.00 2.56 0.00 0.00 35.95 40.30 2kg7 h PHE 18 CO 0.00 0.09 0.61 0.00 -2.02 0.00 0.00 178.31 176.99 2kg7 h ALA 19 N 0.42 1.78 -0.94 2.41 0.00 -1.72 0.73 119.26 121.95 2kg7 h ALA 19 Ca -0.02 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kg7 h ALA 19 Cb 0.33 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2kg7 h ALA 19 CO 0.03 -0.10 0.62 0.00 0.00 0.00 0.00 179.25 179.80 2kg7 h ALA 20 N 1.61 1.19 -0.04 0.00 0.00 -1.70 0.14 119.26 120.45 2kg7 h ALA 20 Ca 0.52 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.21 2kg7 h ALA 20 Cb 0.85 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kg7 h ALA 20 CO -0.29 0.59 -0.55 0.87 0.00 0.00 0.00 179.25 179.87 2kg7 h LYS 21 N 1.27 0.45 -0.54 0.00 1.79 -0.83 -3.09 116.57 115.63 2kg7 h LYS 21 Ca 0.34 -0.43 0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2kg7 h LYS 21 Cb -0.14 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 2kg7 h LYS 21 CO -0.07 1.08 0.32 0.00 -1.08 0.00 0.00 179.45 179.69 2kg7 h ALA 22 N 0.38 0.69 0.00 3.86 0.00 -0.74 -1.65 119.26 121.80 2kg7 h ALA 22 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kg7 h ALA 22 Cb 1.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kg7 h ALA 22 CO 0.11 0.03 -0.10 0.78 0.00 0.00 0.00 179.25 180.07 2kg7 h GLY 23 N 0.63 0.00 2.00 0.00 0.00 -1.04 -1.70 103.07 102.96 2kg7 h GLY 23 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 2kg7 h GLY 23 CO -0.10 0.00 -0.53 -2.00 0.00 0.00 0.00 176.54 173.91 2kg7 h LEU 24 N 0.00 0.00 0.87 3.11 5.85 -1.23 -3.26 115.31 120.65 2kg7 h LEU 24 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2kg7 h LEU 24 Cb 0.20 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.23 2kg7 h LEU 24 CO 0.01 0.53 -0.43 -0.03 -0.34 0.00 0.00 178.44 178.19 2kg7 h MET 25 N 0.00 -1.14 -0.19 1.25 4.05 -0.61 -2.27 114.93 116.03 2kg7 h MET 25 Ca -0.01 0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.55 2kg7 h MET 25 Cb 1.31 0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 32.37 2kg7 h MET 25 CO 0.07 -0.76 0.19 0.00 0.23 0.00 0.00 176.91 176.64 2kg7 h ARG 26 N -1.18 0.00 -0.05 0.39 3.08 -1.66 0.67 114.38 115.62 2kg7 h ARG 26 Ca -0.12 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 2kg7 h ARG 26 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2kg7 h ARG 26 CO 0.19 0.00 -0.49 1.25 -1.07 0.00 0.00 179.97 179.85 2kg7 h HIS 27 N 0.00 0.17 -0.34 3.04 2.76 -1.47 -1.15 115.15 118.15 2kg7 h HIS 27 Ca 0.09 -0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 2kg7 h HIS 27 Cb 0.47 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2kg7 h HIS 27 CO 0.00 0.61 -0.17 1.15 -1.30 0.00 0.00 177.93 178.22 2kg7 h THR 28 N 0.11 1.29 -0.01 6.26 2.02 -0.33 -2.17 112.91 120.08 2kg7 h THR 28 Ca 0.00 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 2kg7 h THR 28 Cb 0.92 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2kg7 h THR 28 CO 0.07 0.42 -0.04 0.40 0.37 0.00 0.00 175.52 176.75 2kg7 h ILE 29 N 0.50 1.51 -0.54 3.11 5.03 -1.47 -1.22 117.51 124.43 2kg7 h ILE 29 Ca 0.08 -1.56 0.09 0.00 -0.12 0.00 0.00 64.86 63.35 2kg7 h ILE 29 Cb 0.71 2.54 -0.07 0.00 -3.03 0.00 0.00 36.82 36.97 2kg7 h ILE 29 CO 0.05 0.41 0.15 1.23 -0.68 0.00 0.00 178.15 179.31 2kg7 h GLY 30 N -0.60 0.71 1.67 5.37 0.00 -1.27 0.20 103.07 109.14 2kg7 h GLY 30 Ca -0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 2kg7 h GLY 30 CO 0.01 -0.05 -0.68 1.46 0.00 0.00 0.00 176.54 177.28 2kg7 h GLN 31 N 0.30 0.33 -0.11 4.80 1.08 -1.47 -2.77 115.11 117.27 2kg7 h GLN 31 Ca 0.27 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2kg7 h GLN 31 Cb 0.36 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2kg7 h GLN 31 CO -0.32 0.89 0.02 0.00 -0.95 0.00 0.00 178.83 178.47 2kg7 h ALA 32 N 1.04 0.15 -0.38 3.87 0.00 -0.29 -2.91 119.26 120.74 2kg7 h ALA 32 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kg7 h ALA 32 Cb 1.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2kg7 h ALA 32 CO 0.11 -0.20 0.23 0.93 0.00 0.00 0.00 179.25 180.32 2kg7 h GLU 33 N -0.04 0.51 -0.88 0.00 4.39 -0.67 -2.15 114.58 115.73 2kg7 h GLU 33 Ca 0.03 -0.04 0.21 0.00 0.34 0.00 0.00 59.36 59.90 2kg7 h GLU 33 Cb 0.28 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 2kg7 h GLU 33 CO 0.00 0.36 0.59 0.37 -1.16 0.00 0.00 179.01 179.18 2kg7 h GLN 34 N 0.50 0.31 -0.63 2.33 4.15 -1.45 0.97 115.11 121.29 2kg7 h GLN 34 Ca 0.14 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 2kg7 h GLN 34 Cb -0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2kg7 h GLN 34 CO -0.03 0.21 0.03 0.00 -1.93 0.00 0.00 178.83 177.11 2kg7 h ALA 35 N 1.61 0.85 0.46 3.38 0.00 -1.19 -1.26 119.26 123.11 2kg7 h ALA 35 Ca 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2kg7 h ALA 35 Cb 1.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kg7 h ALA 35 CO -0.14 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.51 2kg7 h ALA 36 N 1.01 -1.12 -0.13 0.00 0.00 -0.72 -0.86 119.26 117.44 2kg7 h ALA 36 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2kg7 h ALA 36 Cb 0.53 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kg7 h ALA 36 CO 0.03 -1.09 0.11 0.00 0.00 0.00 0.00 179.25 178.30 2kg7 h MET 37 N -0.68 0.00 0.54 0.00 3.00 -1.58 0.24 114.93 116.45 2kg7 h MET 37 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 59.70 59.61 2kg7 h MET 37 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 31.60 32.15 2kg7 h MET 37 CO 0.07 0.00 -0.26 0.77 0.00 0.00 0.00 176.91 177.49 2kg7 h SER 38 N 0.00 -0.61 0.65 -0.10 0.02 -0.84 0.16 113.55 112.82 2kg7 h SER 38 Ca 0.06 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2kg7 h SER 38 Cb 0.29 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2kg7 h SER 38 CO -0.00 -0.36 -0.22 0.00 -1.14 0.00 0.00 176.83 175.11 2kg7 h ALA 39 N -1.52 1.15 -0.00 3.77 0.00 -0.96 -2.09 119.26 119.61 2kg7 h ALA 39 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kg7 h ALA 39 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kg7 h ALA 39 CO 0.12 0.27 -0.18 0.94 0.00 0.00 0.00 179.25 180.40 2kg7 n GLN 40 N -3.56 0.41 0.28 0.00 7.27 0.83 -3.67 117.38 118.94 2kg7 n GLN 40 Ca -0.01 -0.15 0.15 0.00 0.07 0.00 0.00 57.00 57.06 2kg7 n GLN 40 Cb 0.36 -1.50 0.80 0.00 2.41 0.00 0.00 30.24 32.32 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 3.36 1.18 -2.09 1.69 0.00 0.07 -3.45 119.26 120.03 2kg7 h ALA 41 Ca 0.00 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 54.23 2kg7 h ALA 41 Cb 0.43 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.30 2kg7 h ALA 41 CO 0.00 0.10 0.39 1.97 0.00 0.00 0.00 179.25 181.70 2kg7 n PHE 42 N -3.44 1.70 -3.75 0.00 -1.74 -1.24 -2.04 117.46 106.95 2kg7 n PHE 42 Ca -0.02 0.58 -0.24 0.00 -0.56 0.00 0.00 57.45 57.22 2kg7 n PHE 42 Cb 0.22 -2.35 0.02 0.00 1.52 0.00 0.00 39.48 38.89 2kg7 n PHE 42 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 2kg7 n HIS 43 N 1.25 -1.86 -1.95 2.97 -0.00 -1.26 -4.87 115.22 109.51 2kg7 n HIS 43 Ca 0.12 0.76 -0.42 0.00 -0.00 0.00 0.00 57.72 58.17 2kg7 n HIS 43 Cb 0.30 -4.07 -0.03 0.00 -0.00 0.00 0.00 29.99 26.19 2kg7 n HIS 43 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 2kg7 s GLN 44 N -6.07 4.21 0.00 1.57 2.00 -0.86 -4.55 119.66 115.96 2kg7 s GLN 44 Ca 0.09 2.32 0.00 0.00 -2.00 0.00 0.00 55.36 55.77 2kg7 s GLN 44 Cb -0.03 -3.44 0.00 0.00 0.80 0.00 0.00 33.01 30.34 2kg7 s GLN 44 CO 0.84 -0.68 0.00 0.41 -0.50 0.00 0.00 175.29 175.36 2kg7 n GLY 45 N 3.89 0.00 3.46 2.59 0.00 -1.26 -5.16 105.19 108.71 2kg7 n GLY 45 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 2kg7 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kg7 s GLU 46 N 0.00 0.28 1.05 1.61 -6.30 -1.26 -5.18 118.70 108.90 2kg7 s GLU 46 Ca 0.00 0.61 -0.17 0.00 -2.50 0.00 0.00 54.97 52.91 2kg7 s GLU 46 Cb 0.00 0.28 0.23 0.00 0.00 0.00 0.00 34.13 34.65 2kg7 s GLU 46 CO 0.00 -0.08 1.26 -1.54 0.02 0.00 0.00 175.26 174.92 2kg7 s SER 47 N 2.03 2.33 -0.22 -1.70 1.04 -1.26 -5.10 113.70 110.83 2kg7 s SER 47 Ca -0.04 0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.61 2kg7 s SER 47 Cb -0.05 -0.43 0.07 0.00 0.10 0.00 0.00 66.02 65.71 2kg7 s SER 47 CO -0.16 -3.23 0.53 -0.44 0.98 0.00 0.00 173.24 170.92 2kg7 s SER 48 N -4.60 -0.69 -0.02 7.02 0.01 -1.26 -5.05 113.70 109.11 2kg7 s SER 48 Ca 0.74 1.15 -0.16 0.00 1.31 0.00 0.00 55.95 59.00 2kg7 s SER 48 Cb -0.05 1.04 -0.33 0.00 0.21 0.00 0.00 66.02 66.89 2kg7 s SER 48 CO 0.54 -0.21 0.84 0.00 0.41 0.00 0.00 173.24 174.82 2kg7 h ALA 49 N 7.00 -0.03 -0.03 1.44 0.00 -1.99 -3.18 119.26 122.47 2kg7 h ALA 49 Ca -0.34 -0.94 0.01 0.00 0.00 0.00 0.00 54.91 53.64 2kg7 h ALA 49 Cb 1.20 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2kg7 h ALA 49 CO 0.24 0.75 -0.00 0.00 0.00 0.00 0.00 179.25 180.23 2kg7 h ALA 50 N 0.10 0.03 -0.47 0.00 0.00 -2.00 -2.00 119.26 114.92 2kg7 h ALA 50 Ca -0.27 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2kg7 h ALA 50 Cb 2.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 2kg7 h ALA 50 CO 0.21 -0.49 0.31 0.35 0.00 0.00 0.00 179.25 179.63 2kg7 h PHE 51 N 0.01 0.56 0.34 0.00 3.04 -2.00 -2.60 116.94 116.29 2kg7 h PHE 51 Ca 0.02 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 2kg7 h PHE 51 Cb 0.02 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.35 2kg7 h PHE 51 CO -0.10 0.34 -0.16 0.37 -2.02 0.00 0.00 178.31 176.74 2kg7 h GLN 52 N 0.59 -0.44 -0.45 1.11 4.15 -1.40 0.24 115.11 118.92 2kg7 h GLN 52 Ca 0.18 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.72 2kg7 h GLN 52 Cb 0.01 0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.71 2kg7 h GLN 52 CO -0.04 -0.19 -0.09 0.00 -1.93 0.00 0.00 178.83 176.58 2kg7 h ALA 53 N -0.03 0.32 -0.51 3.38 0.00 -1.09 0.26 119.26 121.59 2kg7 h ALA 53 Ca -0.05 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2kg7 h ALA 53 Cb 0.45 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2kg7 h ALA 53 CO 0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 179.25 178.78 2kg7 h ALA 54 N 1.44 0.83 -0.50 0.00 0.00 -1.43 -2.32 119.26 117.28 2kg7 h ALA 54 Ca 0.22 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2kg7 h ALA 54 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2kg7 h ALA 54 CO -0.44 0.65 0.12 1.25 0.00 0.00 0.00 179.25 180.84 2kg7 h HIS 55 N 0.86 0.77 -0.02 0.00 6.17 0.62 -2.36 115.15 121.19 2kg7 h HIS 55 Ca 0.14 -0.06 -0.14 0.00 0.71 0.00 0.00 60.37 61.02 2kg7 h HIS 55 Cb 0.65 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.34 2kg7 h HIS 55 CO 0.04 0.66 -0.61 0.00 0.71 0.00 0.00 177.93 178.72 2kg7 h ALA 56 N 1.40 0.93 -0.71 5.26 0.00 -0.33 -3.07 119.26 122.74 2kg7 h ALA 56 Ca 0.16 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2kg7 h ALA 56 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kg7 h ALA 56 CO -0.00 0.75 0.21 0.00 0.00 0.00 0.00 179.25 180.21 2kg7 h ARG 57 N 0.06 1.11 0.38 0.00 3.08 -0.89 -0.60 114.38 117.53 2kg7 h ARG 57 Ca -0.01 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 2kg7 h ARG 57 Cb 1.10 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2kg7 h ARG 57 CO 0.09 0.96 -0.18 0.35 -1.07 0.00 0.00 179.97 180.11 2kg7 h PHE 58 N 1.05 -0.48 -0.34 3.04 3.04 -1.45 -2.09 116.94 119.70 2kg7 h PHE 58 Ca 0.23 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.18 2kg7 h PHE 58 Cb 0.32 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 2kg7 h PHE 58 CO 0.03 -0.19 0.23 -0.24 -2.02 0.00 0.00 178.31 176.11 2kg7 h VAL 59 N -0.72 1.05 -0.45 1.41 3.04 -1.50 0.39 116.25 119.47 2kg7 h VAL 59 Ca -0.05 -0.14 -0.09 0.00 -1.01 0.00 0.00 66.70 65.41 2kg7 h VAL 59 Cb 0.50 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 2kg7 h VAL 59 CO 0.09 0.07 -0.08 0.00 -1.01 0.00 0.00 177.57 176.64 2kg7 h ALA 60 N 1.80 1.01 0.16 3.17 0.00 -0.93 -2.96 119.26 121.51 2kg7 h ALA 60 Ca 0.13 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 2kg7 h ALA 60 Cb 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.67 2kg7 h ALA 60 CO -0.03 0.60 -1.31 0.00 0.00 0.00 0.00 179.25 178.51 2kg7 h ALA 61 N 1.19 0.01 -0.84 0.00 0.00 -0.60 -3.28 119.26 115.73 2kg7 h ALA 61 Ca 0.13 -0.84 0.16 0.00 0.00 0.00 0.00 54.91 54.35 2kg7 h ALA 61 Cb 0.56 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2kg7 h ALA 61 CO 0.03 0.81 0.55 0.00 0.00 0.00 0.00 179.25 180.65 2kg7 h ALA 62 N 0.40 2.00 -0.72 0.00 0.00 -0.87 0.37 119.26 120.44 2kg7 h ALA 62 Ca -0.18 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.83 2kg7 h ALA 62 Cb 2.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 2kg7 h ALA 62 CO 0.23 -0.24 0.48 0.00 0.00 0.00 0.00 179.25 179.72 2kg7 h ALA 63 N 1.62 1.83 -0.02 0.00 0.00 -1.58 -0.55 119.26 120.56 2kg7 h ALA 63 Ca 0.42 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 2kg7 h ALA 63 Cb 0.85 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kg7 h ALA 63 CO -0.17 0.03 -0.18 -0.22 0.00 0.00 0.00 179.25 178.71 2kg7 h LYS 64 N 0.64 0.15 -0.82 0.00 1.63 -1.10 -2.32 116.57 114.76 2kg7 h LYS 64 Ca 0.33 -0.14 0.08 0.00 -0.85 0.00 0.00 60.65 60.07 2kg7 h LYS 64 Cb 0.44 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.05 2kg7 h LYS 64 CO -0.11 0.84 0.53 0.28 -3.45 0.00 0.00 179.45 177.54 2kg7 h VAL 65 N -0.48 1.00 -0.16 2.00 2.07 -1.11 -1.18 116.25 118.39 2kg7 h VAL 65 Ca -0.02 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 2kg7 h VAL 65 Cb 0.89 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2kg7 h VAL 65 CO 0.04 0.15 -0.38 -1.13 0.02 0.00 0.00 177.57 176.27 2kg7 h ASN 66 N 0.83 0.61 -0.53 0.57 -1.24 -1.16 -2.47 115.58 112.19 2kg7 h ASN 66 Ca 0.36 -0.57 0.01 0.00 0.71 0.00 0.00 56.30 56.81 2kg7 h ASN 66 Cb 0.33 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 2kg7 h ASN 66 CO -0.14 1.07 0.35 0.74 -1.29 0.00 0.00 177.43 178.16 2kg7 h THR 67 N 0.17 1.12 0.00 -3.57 2.02 -0.80 -1.14 112.91 110.70 2kg7 h THR 67 Ca -0.00 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 2kg7 h THR 67 Cb 0.99 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2kg7 h THR 67 CO 0.08 0.13 -0.52 -0.07 0.37 0.00 0.00 175.52 175.51 2kg7 h LEU 68 N 0.69 0.00 -0.79 2.58 3.38 -1.21 -2.85 115.31 117.12 2kg7 h LEU 68 Ca 0.20 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 2kg7 h LEU 68 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2kg7 h LEU 68 CO -0.04 0.52 -0.60 -0.07 0.09 0.00 0.00 178.44 178.34 2kg7 h LEU 69 N 0.00 0.00 0.01 1.67 3.38 -0.74 -2.08 115.31 117.56 2kg7 h LEU 69 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2kg7 h LEU 69 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2kg7 h LEU 69 CO 0.07 0.60 -0.13 -0.78 0.09 0.00 0.00 178.44 178.29 2kg7 h ASP 70 N 0.00 0.09 -0.21 -0.43 1.82 -1.37 -3.10 116.42 113.20 2kg7 h ASP 70 Ca -0.01 -0.90 -0.02 0.00 -0.39 0.00 0.00 57.03 55.71 2kg7 h ASP 70 Cb 1.07 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.04 2kg7 h ASP 70 CO 0.08 0.98 0.09 -0.37 -1.61 0.00 0.00 179.24 178.41 2kg7 h VAL 71 N -0.80 1.12 0.01 2.25 -1.51 -1.55 0.10 116.25 115.87 2kg7 h VAL 71 Ca -0.02 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2kg7 h VAL 71 Cb 1.01 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2kg7 h VAL 71 CO 0.02 0.14 -0.00 0.00 -1.23 0.00 0.00 177.57 176.50 2kg7 h ALA 72 N 1.73 -0.01 -0.11 5.19 0.00 -1.46 0.25 119.26 124.85 2kg7 h ALA 72 Ca 0.09 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2kg7 h ALA 72 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kg7 h ALA 72 CO -0.01 -0.39 -0.56 1.96 0.00 0.00 0.00 179.25 180.24 2kg7 h GLN 73 N -0.23 0.35 -0.21 0.00 4.20 -1.41 0.16 115.11 117.96 2kg7 h GLN 73 Ca -0.00 -0.22 -0.17 0.00 0.06 0.00 0.00 58.65 58.32 2kg7 h GLN 73 Cb 0.23 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2kg7 h GLN 73 CO 0.00 0.82 -0.55 0.00 -0.67 0.00 0.00 178.83 178.42 2kg7 h ALA 74 N 1.14 0.63 0.19 3.87 0.00 -0.71 0.25 119.26 124.62 2kg7 h ALA 74 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 2kg7 h ALA 74 Cb 1.07 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2kg7 h ALA 74 CO 0.09 0.69 -1.44 -0.91 0.00 0.00 0.00 179.25 177.68 2kg7 h ASN 75 N 0.49 0.63 0.88 0.00 -0.26 -0.44 -3.31 115.58 113.58 2kg7 h ASN 75 Ca 0.01 -0.72 -0.16 0.00 -0.56 0.00 0.00 56.30 54.86 2kg7 h ASN 75 Cb 1.12 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 38.15 2kg7 h ASN 75 CO 0.11 1.58 -0.78 -0.07 -1.06 0.00 0.00 177.43 177.20 2kg7 h LEU 76 N 0.11 0.00 0.00 1.61 3.38 -0.71 -3.47 115.31 116.23 2kg7 h LEU 76 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2kg7 h LEU 76 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 2kg7 h LEU 76 CO 0.23 0.78 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2kg7 n GLY 77 N 0.85 1.61 0.40 0.83 0.00 0.87 -4.21 105.19 105.54 2kg7 n GLY 77 Ca -0.00 0.10 0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 0.41 -0.46 1.61 4.81 -1.89 0.29 114.58 119.35 2kg7 h GLU 78 Ca 0.00 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 2kg7 h GLU 78 Cb 0.00 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2kg7 h GLU 78 CO 0.00 0.27 0.40 0.00 -0.73 0.00 0.00 179.01 178.96 2kg7 h ALA 79 N 1.61 2.27 0.00 2.92 0.00 -1.79 -3.28 119.26 120.99 2kg7 h ALA 79 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2kg7 h ALA 79 Cb 1.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kg7 h ALA 79 CO -0.19 -0.64 -0.34 0.00 0.00 0.00 0.00 179.25 178.08 2kg7 n ALA 80 N -2.48 1.36 0.00 0.00 0.00 0.82 -2.57 120.51 117.65 2kg7 n ALA 80 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2kg7 n ALA 80 Cb 0.60 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 2.19 4.32 2.12 0.00 0.00 0.03 -4.97 105.19 108.89 2kg7 n GLY 81 Ca -0.05 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 2kg7 n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kg7 n THR 82 N -1.56-11.08 -2.23 2.61 -1.04 -1.26 -4.88 114.28 94.84 2kg7 n THR 82 Ca 0.00 2.47 -0.27 0.00 -2.04 0.00 0.00 64.05 64.21 2kg7 n THR 82 Cb 0.00 -5.55 0.05 0.00 -1.82 0.00 0.00 70.33 63.01 2kg7 n THR 82 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2kg7 s TYR 83 N -0.48 3.17 -1.01 -1.42 1.13 -1.26 -4.87 117.35 112.61 2kg7 s TYR 83 Ca -0.04 0.68 -0.23 0.00 -1.41 0.00 0.00 57.07 56.07 2kg7 s TYR 83 Cb 0.00 -2.95 -0.02 0.00 -1.10 0.00 0.00 41.96 37.89 2kg7 s TYR 83 CO 0.10 -1.08 1.82 0.08 -2.51 0.00 0.00 175.55 173.97 2kg7 s VAL 84 N -3.15 3.62 -1.29 -3.49 1.01 -1.26 -4.87 120.40 110.97 2kg7 s VAL 84 Ca 0.57 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 2kg7 s VAL 84 Cb -0.11 -4.44 0.15 0.00 0.00 0.00 0.00 36.38 31.99 2kg7 s VAL 84 CO 0.46 -1.26 1.89 0.00 0.00 0.00 0.00 175.10 176.20 2kg7 n ALA 85 N 12.52 5.31 -0.04 5.51 0.00 -1.26 -4.43 120.51 138.11 2kg7 n ALA 85 Ca 0.40 -4.27 -0.05 0.00 0.00 0.00 0.00 53.44 49.52 2kg7 n ALA 85 Cb 0.48 -3.04 -0.05 0.00 0.00 0.00 0.00 19.45 16.84 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 4.17 1.81 -2.43 0.00 0.00 -1.26 -5.05 120.51 117.75 2kg7 n ALA 86 Ca 0.41 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 2kg7 n ALA 86 Cb 0.37 0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 2kg7 n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kg7 s ASP 87 N -4.30 3.06 0.00 0.00 2.15 -1.26 -4.99 116.67 111.32 2kg7 s ASP 87 Ca -0.07 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 51.81 2kg7 s ASP 87 Cb 0.03 -0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.43 2kg7 s ASP 87 CO 0.26 -0.17 0.00 0.00 -0.17 0.00 0.00 175.17 175.09 2kg7 n ALA 88 N -0.56 0.00 0.25 3.66 0.00 -1.26 -4.95 120.51 117.64 2kg7 n ALA 88 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2kg7 n ALA 88 Cb 0.62 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.70 2kg7 n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 h ALA 89 N 0.00 1.49 0.00 0.00 0.00 -1.96 -0.66 119.26 118.13 2kg7 h ALA 89 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2kg7 h ALA 89 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2kg7 h ALA 89 CO 0.00 0.18 -1.13 0.00 0.00 0.00 0.00 179.25 178.30 2kg7 h ALA 90 N 1.86 0.41 0.00 0.00 0.00 -2.00 -3.28 119.26 116.25 2kg7 h ALA 90 Ca -0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 54.91 53.79 2kg7 h ALA 90 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kg7 h ALA 90 CO 0.02 1.30 -0.57 0.00 0.00 0.00 0.00 179.25 180.00 2kg7 h ALA 91 N 0.98 0.65 -1.74 0.00 0.00 -1.77 -3.46 119.26 113.93 2kg7 h ALA 91 Ca -0.06 -0.50 -0.46 0.00 0.00 0.00 0.00 54.91 53.89 2kg7 h ALA 91 Cb 1.82 -0.07 0.23 0.00 0.00 0.00 0.00 17.79 19.77 2kg7 h ALA 91 CO 0.12 0.67 -0.99 0.43 0.00 0.00 0.00 179.25 179.48 2kg7 n SER 92 N -3.22 -2.32 -4.48 0.00 7.64 -0.31 -5.03 113.62 105.90 2kg7 n SER 92 Ca 0.01 -0.11 -0.24 0.00 1.01 0.00 0.00 58.87 59.54 2kg7 n SER 92 Cb 0.75 -0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 2kg7 n SER 92 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kg7 s THR 93 N -2.25 2.23 -0.09 0.44 2.01 -1.26 -5.05 115.64 111.67 2kg7 s THR 93 Ca 0.57 -2.29 -0.12 0.00 0.31 0.00 0.00 61.69 60.16 2kg7 s THR 93 Cb -0.13 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2kg7 s THR 93 CO 0.66 -0.34 0.28 -0.72 -0.69 0.00 0.00 174.62 173.81 2kg7 s TYR 94 N -2.65 3.61 0.29 4.92 -0.85 -1.26 -5.09 117.35 116.32 2kg7 s TYR 94 Ca 0.30 0.72 0.04 0.00 -0.52 0.00 0.00 57.07 57.61 2kg7 s TYR 94 Cb -0.01 -2.19 -0.03 0.00 0.38 0.00 0.00 41.96 40.10 2kg7 s TYR 94 CO 0.14 0.55 0.20 0.95 -1.52 0.00 0.00 175.55 175.88 2kg7 s THR 95 N -0.59 0.12 0.00 -3.49 -4.23 -1.26 -5.04 115.64 101.14 2kg7 s THR 95 Ca 0.19 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2kg7 s THR 95 Cb -0.14 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2kg7 s THR 95 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2kg7 n GLY 96 N -0.53 0.19 0.00 3.99 0.00 -1.26 -5.36 105.19 102.21 2kg7 n GLY 96 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2kg7 n GLY 96 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01