#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg5 n MET 21 N 0.00 -1.89 -3.79 -0.41 2.00 -1.26 -5.04 117.12 106.73 2kg5 n MET 21 Ca 0.00 1.68 -0.05 0.00 0.00 0.00 0.00 57.70 59.33 2kg5 n MET 21 Cb 0.00 -4.82 -0.02 0.00 0.00 0.00 0.00 33.22 28.38 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg5 s ALA 22 N -2.61 -1.48 0.58 3.04 0.00 -1.26 -5.09 121.76 114.94 2kg5 s ALA 22 Ca 0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 2kg5 s ALA 22 Cb -0.04 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 2kg5 s ALA 22 CO 0.79 -1.03 0.99 0.00 0.00 0.00 0.00 175.76 176.51 2kg5 s ALA 23 N -3.54 3.13 1.10 0.00 0.00 -1.26 -5.08 121.76 116.11 2kg5 s ALA 23 Ca 0.12 -0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.91 2kg5 s ALA 23 Cb -0.03 -3.03 0.12 0.00 0.00 0.00 0.00 23.12 20.18 2kg5 s ALA 23 CO 0.04 -0.56 0.42 -0.35 0.00 0.00 0.00 175.76 175.31 2kg5 n PRO 24 N -2.47 -1.85 -0.05 0.00 -0.04 -1.26 -5.02 135.00 124.31 2kg5 n PRO 24 Ca 0.05 -0.68 -0.04 0.00 -0.04 0.00 0.00 63.50 62.80 2kg5 n PRO 24 Cb 0.54 -0.63 -0.10 0.00 -0.04 0.00 0.00 33.50 33.27 2kg5 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kg5 n GLN 25 N -2.80 1.73 -1.38 0.54 10.64 -1.26 -4.57 117.38 120.28 2kg5 n GLN 25 Ca 0.06 -0.02 -0.26 0.00 -1.83 0.00 0.00 57.00 54.94 2kg5 n GLN 25 Cb 0.23 -1.32 -0.01 0.00 -0.86 0.00 0.00 30.24 28.27 2kg5 n GLN 25 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2kg5 n ASP 26 N -2.39 6.68 -4.50 2.61 2.03 -1.26 -3.16 116.55 116.55 2kg5 n ASP 26 Ca -0.18 -3.28 -0.38 0.00 0.52 0.00 0.00 54.79 51.47 2kg5 n ASP 26 Cb 0.83 -1.15 -0.11 0.00 -0.72 0.00 0.00 41.12 39.96 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2kg5 s LEU 27 N -2.41 4.00 0.16 -2.67 2.96 -1.26 -5.03 118.68 114.43 2kg5 s LEU 27 Ca 0.52 -0.27 -0.33 0.00 -0.22 0.00 0.00 54.13 53.83 2kg5 s LEU 27 Cb 0.37 -2.05 -0.16 0.00 0.50 0.00 0.00 46.19 44.85 2kg5 s LEU 27 CO -0.17 -0.12 1.11 -0.67 -1.32 0.00 0.00 176.35 175.18 2kg5 n ASP 28 N 5.02 1.04 0.33 3.68 -0.08 -1.26 -1.74 116.55 123.54 2kg5 n ASP 28 Ca -0.14 1.14 0.21 0.00 -1.51 0.00 0.00 54.79 54.49 2kg5 n ASP 28 Cb 0.51 -1.17 1.13 0.00 2.34 0.00 0.00 41.12 43.93 2kg5 n ASP 28 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2kg5 h ILE 29 N 2.58 0.04 -0.02 5.18 6.09 -0.77 -0.50 117.51 130.11 2kg5 h ILE 29 Ca -0.43 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 62.85 2kg5 h ILE 29 Cb 1.36 0.94 -0.00 0.00 0.47 0.00 0.00 36.82 39.59 2kg5 h ILE 29 CO 0.69 0.00 -0.87 0.00 -3.07 0.00 0.00 178.15 174.89 2kg5 h ALA 30 N 1.88 0.45 0.00 0.18 0.00 -1.85 -2.79 119.26 117.13 2kg5 h ALA 30 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 2kg5 h ALA 30 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kg5 h ALA 30 CO -0.00 0.82 -0.34 0.28 0.00 0.00 0.00 179.25 180.00 2kg5 h VAL 31 N 0.23 0.72 0.06 0.00 2.07 -1.43 -1.42 116.25 116.46 2kg5 h VAL 31 Ca -0.06 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 2kg5 h VAL 31 Cb 1.49 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 2kg5 h VAL 31 CO 0.15 0.34 -0.03 -0.25 0.02 0.00 0.00 177.57 177.80 2kg5 h TRP 32 N 0.00 -0.07 0.00 1.57 7.01 -1.46 -3.29 115.95 119.71 2kg5 h TRP 32 Ca -0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 2kg5 h TRP 32 Cb 1.00 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 2kg5 h TRP 32 CO 0.00 0.54 -0.17 -0.07 -2.79 0.00 0.00 178.44 175.96 2kg5 h LEU 33 N -0.86 0.00 -2.25 0.65 3.38 -1.56 -2.81 115.31 111.85 2kg5 h LEU 33 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2kg5 h LEU 33 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kg5 h LEU 33 CO 0.01 0.17 -0.05 0.00 0.09 0.00 0.00 178.44 178.66 2kg5 h ALA 34 N 1.83 1.31 0.00 1.53 0.00 -1.32 -0.52 119.26 122.09 2kg5 h ALA 34 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kg5 h ALA 34 Cb 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kg5 h ALA 34 CO 0.02 0.07 -0.21 1.79 0.00 0.00 0.00 179.25 180.92 2kg5 h THR 35 N 0.00 0.65 -0.38 0.00 1.35 -1.57 -2.58 112.91 110.37 2kg5 h THR 35 Ca -0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2kg5 h THR 35 Cb 0.18 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2kg5 h THR 35 CO 0.01 0.21 0.00 1.33 -0.25 0.00 0.00 175.52 176.81 2kg5 n VAL 36 N -3.56 1.31 -3.24 6.82 0.24 -0.52 -4.97 118.33 114.41 2kg5 n VAL 36 Ca -0.01 -1.18 -0.16 0.00 -2.04 0.00 0.00 64.34 60.95 2kg5 n VAL 36 Cb 0.36 0.33 0.07 0.00 -1.47 0.00 0.00 33.84 33.13 2kg5 n VAL 36 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2kg5 n HIS 37 N 0.46 -1.99 -2.28 6.34 -0.00 -0.97 -4.92 115.22 111.85 2kg5 n HIS 37 Ca 0.16 0.77 0.00 0.00 -0.00 0.00 0.00 57.72 58.65 2kg5 n HIS 37 Cb 0.57 -4.31 -0.01 0.00 -0.00 0.00 0.00 29.99 26.24 2kg5 n HIS 37 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2kg5 n LEU 38 N -3.75 0.31 0.23 0.27 4.77 -0.32 -4.89 117.00 113.62 2kg5 n LEU 38 Ca -0.11 -1.83 0.18 0.00 -0.03 0.00 0.00 56.01 54.22 2kg5 n LEU 38 Cb 0.59 0.00 0.86 0.00 -2.33 0.00 0.00 43.42 42.55 2kg5 n LEU 38 CO 0.49 0.76 1.15 1.05 -1.33 0.00 0.00 177.39 179.52 2kg5 h GLU 39 N 0.57 0.00 -0.09 3.23 -0.00 -1.78 0.04 114.58 116.55 2kg5 h GLU 39 Ca -0.28 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.11 2kg5 h GLU 39 Cb 1.67 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.41 2kg5 h GLU 39 CO -0.02 0.00 0.13 -0.56 -0.00 0.00 0.00 179.01 178.56 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.26 115.11 117.59 2kg5 h GLN 40 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 2kg5 h GLN 40 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2kg5 h GLN 40 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 2kg5 n TYR 41 N -3.65 0.00 0.27 0.06 4.01 0.00 -3.06 117.16 114.79 2kg5 n TYR 41 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 2kg5 n TYR 41 Cb 0.23 -0.40 0.74 0.00 -0.31 0.00 0.00 39.34 39.59 2kg5 n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kg5 h ALA 42 N 2.86 1.58 0.20 -0.72 0.00 -0.65 -2.68 119.26 119.84 2kg5 h ALA 42 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kg5 h ALA 42 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kg5 h ALA 42 CO 0.00 0.09 -0.11 0.22 0.00 0.00 0.00 179.25 179.45 2kg5 h ASP 43 N 0.00 -0.26 -0.63 0.00 1.82 -1.74 0.22 116.42 115.83 2kg5 h ASP 43 Ca -0.00 0.01 0.15 0.00 -0.39 0.00 0.00 57.03 56.80 2kg5 h ASP 43 Cb 0.15 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 2kg5 h ASP 43 CO 0.01 -0.17 0.43 0.00 -1.61 0.00 0.00 179.24 177.90 2kg5 h THR 44 N -0.28 0.77 0.24 2.25 1.03 -1.80 -1.77 112.91 113.35 2kg5 h THR 44 Ca -0.03 -0.07 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 2kg5 h THR 44 Cb 0.22 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 2kg5 h THR 44 CO 0.04 0.04 -0.11 -0.26 -0.01 0.00 0.00 175.52 175.21 2kg5 h PHE 45 N 0.20 -0.30 -0.55 0.00 -1.00 -1.28 -2.26 116.94 111.75 2kg5 h PHE 45 Ca 0.30 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.11 2kg5 h PHE 45 Cb 0.91 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.53 2kg5 h PHE 45 CO -0.00 -0.02 0.30 0.00 -1.61 0.00 0.00 178.31 176.98 2kg5 h ARG 46 N -0.56 0.57 0.00 1.51 3.08 -0.17 0.21 114.38 119.02 2kg5 h ARG 46 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2kg5 h ARG 46 Cb 0.41 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2kg5 h ARG 46 CO 0.05 0.38 0.00 -0.09 -1.07 0.00 0.00 179.97 179.24 2kg5 h ARG 47 N 0.59 0.00 -0.00 0.04 9.65 -1.31 -0.04 114.38 123.30 2kg5 h ARG 47 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2kg5 h ARG 47 Cb 0.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2kg5 h ARG 47 CO -0.14 0.00 -0.17 0.72 2.80 0.00 0.00 179.97 183.18 2kg5 n HIS 48 N -2.43 0.00 -0.08 2.20 8.25 0.04 -4.90 115.22 118.29 2kg5 n HIS 48 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kg5 n HIS 48 Cb 0.12 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.06 2kg5 n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kg5 n GLY 49 N 1.31 0.95 2.50 -1.41 0.00 -0.03 -5.06 105.19 103.46 2kg5 n GLY 49 Ca 0.13 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2kg5 n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kg5 s LEU 50 N 0.00 0.89 -0.05 0.99 2.34 -1.05 -4.94 118.68 116.85 2kg5 s LEU 50 Ca 0.00 -1.84 0.21 0.00 0.06 0.00 0.00 54.13 52.55 2kg5 s LEU 50 Cb 0.00 -0.41 0.69 0.00 -0.56 0.00 0.00 46.19 45.91 2kg5 s LEU 50 CO 0.00 -0.36 1.59 0.00 -1.06 0.00 0.00 176.35 176.52 2kg5 n ALA 51 N 4.51 2.73 -3.00 1.48 0.00 -1.26 -2.99 120.51 121.97 2kg5 n ALA 51 Ca 0.05 -1.44 -0.11 0.00 0.00 0.00 0.00 53.44 51.94 2kg5 n ALA 51 Cb 0.39 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 2kg5 n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kg5 s THR 52 N -1.41 0.10 0.63 0.00 -4.23 -1.26 -0.05 115.64 109.42 2kg5 s THR 52 Ca 0.51 -0.80 0.41 0.00 -1.18 0.00 0.00 61.69 60.63 2kg5 s THR 52 Cb 0.29 -0.58 0.43 0.00 1.34 0.00 0.00 72.50 73.98 2kg5 s THR 52 CO 0.30 -0.44 2.34 0.00 -0.54 0.00 0.00 174.62 176.28 2kg5 h ALA 53 N 4.06 1.11 0.00 3.99 0.00 -1.54 -1.13 119.26 125.74 2kg5 h ALA 53 Ca -0.31 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 2kg5 h ALA 53 Cb 1.19 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2kg5 h ALA 53 CO 0.43 0.00 -1.06 0.78 0.00 0.00 0.00 179.25 179.41 2kg5 h GLY 54 N 0.07 0.00 1.73 0.00 0.00 -1.81 -1.78 103.07 101.28 2kg5 h GLY 54 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kg5 h GLY 54 CO 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.33 2kg5 h ALA 55 N 1.10 0.87 0.00 3.60 0.00 -1.47 -3.26 119.26 120.10 2kg5 h ALA 55 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kg5 h ALA 55 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2kg5 h ALA 55 CO 0.11 0.00 -1.03 0.00 0.00 0.00 0.00 179.25 178.33 2kg5 n ALA 56 N -1.86 3.49 -1.54 0.00 0.00 -0.96 -4.80 120.51 114.83 2kg5 n ALA 56 Ca 0.04 -0.40 -0.53 0.00 0.00 0.00 0.00 53.44 52.56 2kg5 n ALA 56 Cb 0.45 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 19.30 2kg5 n ALA 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kg5 n ARG 57 N -1.57 1.19 0.00 0.00 0.63 -0.67 -1.62 116.66 114.62 2kg5 n ARG 57 Ca 0.01 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 2kg5 n ARG 57 Cb 0.29 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 30.86 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kg5 n GLY 58 N 5.66 1.12 3.67 5.14 0.00 -1.26 -5.04 105.19 114.47 2kg5 n GLY 58 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 2kg5 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kg5 n LEU 59 N 0.00 3.83 0.00 0.99 4.77 -0.64 -5.02 117.00 120.94 2kg5 n LEU 59 Ca 0.00 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 2kg5 n LEU 59 Cb 0.00 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 2kg5 n LEU 59 CO 0.00 -1.11 0.00 0.61 -1.33 0.00 0.00 177.39 175.56 2kg5 n GLY 60 N 1.00 5.87 0.17 -0.72 0.00 -1.26 -4.99 105.19 105.26 2kg5 n GLY 60 Ca 0.09 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 2kg5 n GLY 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kg5 h HIS 61 N 0.00 -0.34 -0.46 1.61 3.86 -1.96 -2.30 115.15 115.56 2kg5 h HIS 61 Ca 0.00 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.33 2kg5 h HIS 61 Cb 0.00 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 2kg5 h HIS 61 CO 0.00 -0.21 0.39 0.93 0.86 0.00 0.00 177.93 179.89 2kg5 h GLU 62 N -0.93 0.00 0.00 2.45 3.07 -2.01 0.25 114.58 117.40 2kg5 h GLU 62 Ca -0.04 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 2kg5 h GLU 62 Cb 0.28 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 2kg5 h GLU 62 CO 0.06 0.00 -0.86 0.93 -1.40 0.00 0.00 179.01 177.74 2kg5 h GLU 63 N 0.00 0.00 0.00 2.33 4.39 -1.96 -3.18 114.58 116.16 2kg5 h GLU 63 Ca 0.22 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 2kg5 h GLU 63 Cb 0.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 2kg5 h GLU 63 CO -0.00 0.86 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.29 2kg5 h LEU 64 N 0.00 0.00 -0.62 1.33 3.38 0.10 -2.26 115.31 117.24 2kg5 h LEU 64 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2kg5 h LEU 64 Cb 1.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 2kg5 h LEU 64 CO 0.11 0.35 0.25 0.11 0.09 0.00 0.00 178.44 179.35 2kg5 h LYS 65 N 0.00 0.93 0.00 1.13 1.57 -1.48 -2.20 116.57 116.52 2kg5 h LYS 65 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2kg5 h LYS 65 Cb 0.66 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2kg5 h LYS 65 CO 0.05 0.79 -0.12 1.04 -0.57 0.00 0.00 179.45 180.63 2kg5 n GLN 66 N -4.44 0.12 0.24 3.15 6.02 -1.10 -3.36 117.38 118.00 2kg5 n GLN 66 Ca 0.04 0.08 0.12 0.00 -0.01 0.00 0.00 57.00 57.23 2kg5 n GLN 66 Cb 0.17 -1.62 0.51 0.00 1.02 0.00 0.00 30.24 30.32 2kg5 n GLN 66 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2kg5 h LEU 67 N 0.00 0.00 0.00 1.08 3.38 -0.80 -3.46 115.31 115.52 2kg5 h LEU 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kg5 h LEU 67 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kg5 h LEU 67 CO 0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2kg5 n GLY 68 N 0.14 1.39 3.66 0.83 0.00 -1.20 -4.62 105.19 105.39 2kg5 n GLY 68 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2kg5 n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kg5 s ILE 69 N -1.68 4.64 -0.10 -0.61 1.01 -1.13 -4.98 121.20 118.34 2kg5 s ILE 69 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 60.65 60.69 2kg5 s ILE 69 Cb 0.00 -3.04 0.29 0.00 0.01 0.00 0.00 42.46 39.72 2kg5 s ILE 69 CO 0.00 0.52 1.14 -1.20 0.00 0.00 0.00 174.94 175.41 2kg5 n SER 70 N 2.97 1.45 -3.97 3.58 7.64 -1.26 -4.43 113.62 119.61 2kg5 n SER 70 Ca -0.18 -2.91 -0.31 0.00 1.01 0.00 0.00 58.87 56.49 2kg5 n SER 70 Cb 0.53 -0.39 -0.15 0.00 -1.01 0.00 0.00 64.21 63.19 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg5 s ALA 71 N -1.90 2.87 0.38 -0.43 0.00 -1.26 -4.97 121.76 116.45 2kg5 s ALA 71 Ca 0.27 -2.65 0.14 0.00 0.00 0.00 0.00 51.96 49.72 2kg5 s ALA 71 Cb 0.27 -1.99 0.97 0.00 0.00 0.00 0.00 23.12 22.37 2kg5 s ALA 71 CO -0.04 -1.78 1.82 1.15 0.00 0.00 0.00 175.76 176.91 2kg5 h THR 72 N 6.28 0.67 -0.30 0.00 2.02 -1.99 0.17 112.91 119.76 2kg5 h THR 72 Ca -0.06 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 2kg5 h THR 72 Cb 0.99 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2kg5 h THR 72 CO 0.56 0.10 -0.18 1.23 0.37 0.00 0.00 175.52 177.59 2kg5 h GLY 73 N 0.53 0.60 1.62 2.16 0.00 -2.01 -3.01 103.07 102.95 2kg5 h GLY 73 Ca 0.52 -0.46 -0.27 0.00 0.00 0.00 0.00 47.33 47.12 2kg5 h GLY 73 CO -0.25 0.42 -1.21 0.45 0.00 0.00 0.00 176.54 175.95 2kg5 h HIS 74 N 0.50 0.51 -0.27 5.60 -0.00 -1.21 -3.26 115.15 117.02 2kg5 h HIS 74 Ca 0.08 -0.36 0.06 0.00 -0.00 0.00 0.00 60.37 60.15 2kg5 h HIS 74 Cb 0.60 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.93 2kg5 h HIS 74 CO 0.02 1.27 -0.12 -0.09 -0.00 0.00 0.00 177.93 179.01 2kg5 h ARG 75 N 0.09 -0.07 0.00 2.45 2.43 -0.74 0.13 114.38 118.67 2kg5 h ARG 75 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2kg5 h ARG 75 Cb 1.93 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 2kg5 h ARG 75 CO 0.20 -0.05 0.00 0.87 -1.51 0.00 0.00 179.97 179.48 2kg5 h LYS 76 N -0.07 0.00 0.00 0.20 1.57 -1.64 -1.50 116.57 115.13 2kg5 h LYS 76 Ca 0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2kg5 h LYS 76 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2kg5 h LYS 76 CO -0.32 0.00 -0.19 -0.09 -0.57 0.00 0.00 179.45 178.28 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -0.81 -2.75 114.38 116.40 2kg5 h ARG 77 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2kg5 h ARG 77 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2kg5 h ARG 77 CO 0.00 0.19 -0.43 0.82 -1.51 0.00 0.00 179.97 179.04 2kg5 h ILE 78 N 0.00 0.42 -0.71 1.20 1.08 -0.64 -3.33 117.51 115.53 2kg5 h ILE 78 Ca -0.00 -1.41 0.09 0.00 -0.39 0.00 0.00 64.86 63.15 2kg5 h ILE 78 Cb 1.05 0.89 -0.05 0.00 -3.07 0.00 0.00 36.82 35.65 2kg5 h ILE 78 CO 0.03 0.14 0.47 -0.07 -0.69 0.00 0.00 178.15 178.03 2kg5 h LEU 79 N -1.00 0.56 -2.48 1.44 3.38 -1.63 0.15 115.31 115.74 2kg5 h LEU 79 Ca -0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kg5 h LEU 79 Cb 0.58 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kg5 h LEU 79 CO -0.04 0.35 -0.02 0.03 0.09 0.00 0.00 178.44 178.84 2kg5 h ARG 80 N 0.63 0.00 0.03 1.13 3.08 -1.65 -2.22 114.38 115.38 2kg5 h ARG 80 Ca 0.32 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.03 2kg5 h ARG 80 Cb 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 2kg5 h ARG 80 CO -0.11 0.02 -2.04 -0.11 -1.07 0.00 0.00 179.97 176.66 2kg5 n LEU 81 N -3.36 1.25 -0.29 3.04 7.94 0.42 -4.04 117.00 121.98 2kg5 n LEU 81 Ca -0.02 0.20 0.02 0.00 -1.11 0.00 0.00 56.01 55.09 2kg5 n LEU 81 Cb 0.14 -0.13 0.22 0.00 0.53 0.00 0.00 43.42 44.17 2kg5 n LEU 81 CO 0.24 0.58 1.25 0.25 -1.11 0.00 0.00 177.39 178.61 2kg5 h LEU 82 N 0.01 0.93 0.03 -1.96 6.46 -0.66 -2.68 115.31 117.44 2kg5 h LEU 82 Ca -0.42 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2kg5 h LEU 82 Cb 2.07 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.78 2kg5 h LEU 82 CO 0.05 0.64 -0.01 1.56 -0.62 0.00 0.00 178.44 180.05 2kg5 h GLN 83 N 1.08 -0.03 -7.01 1.25 4.20 -1.67 -3.46 115.11 109.47 2kg5 h GLN 83 Ca 0.35 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.48 2kg5 h GLN 83 Cb 0.04 0.01 -0.35 0.00 0.30 0.00 0.00 27.48 27.48 2kg5 h GLN 83 CO -0.11 0.22 -0.84 -2.37 -0.67 0.00 0.00 178.83 175.06 2kg5 n THR 84 N -4.99 -0.08 0.00 -0.54 5.66 -1.01 -4.51 114.28 108.82 2kg5 n THR 84 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2kg5 n THR 84 Cb 0.15 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 2kg5 n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kg5 n GLY 85 N -1.04 0.03 3.05 1.09 0.00 -1.26 -5.04 105.19 102.02 2kg5 n GLY 85 Ca 0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2kg5 n GLY 85 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kg5 s THR 86 N -1.26 0.24 -0.40 2.61 -1.32 -1.26 -5.10 115.64 109.16 2kg5 s THR 86 Ca 0.00 -1.41 0.09 0.00 -1.21 0.00 0.00 61.69 59.16 2kg5 s THR 86 Cb 0.00 -0.97 0.29 0.00 -1.51 0.00 0.00 72.50 70.32 2kg5 s THR 86 CO 0.00 -0.74 0.70 -1.84 -2.21 0.00 0.00 174.62 170.53 2kg5 n GLU 87 N 0.79 0.84 -1.35 7.08 0.28 -1.26 -4.90 120.64 122.12 2kg5 n GLU 87 Ca -0.18 -2.98 -0.37 0.00 -0.16 0.00 0.00 57.16 53.47 2kg5 n GLU 87 Cb 0.58 -1.40 0.06 0.00 1.43 0.00 0.00 31.44 32.11 2kg5 n GLU 87 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2kg5 n GLU 88 N 0.92 0.43 -3.89 3.44 0.00 -1.26 -5.02 120.64 115.26 2kg5 n GLU 88 Ca 0.20 0.19 -0.11 0.00 0.00 0.00 0.00 57.16 57.43 2kg5 n GLU 88 Cb 0.61 -1.89 -0.11 0.00 0.00 0.00 0.00 31.44 30.05 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2kg5 s GLY 89 N -1.41 0.07 -0.34 8.31 0.00 -1.26 -5.06 107.32 107.63 2kg5 s GLY 89 Ca 0.68 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 45.27 2kg5 s GLY 89 CO 0.55 -0.28 1.20 -1.14 0.00 0.00 0.00 173.10 173.42 2kg5 n SER 90 N 1.74 -1.38 -4.20 1.64 3.41 -1.26 -5.16 113.62 108.41 2kg5 n SER 90 Ca -0.21 -1.99 -0.14 0.00 -0.26 0.00 0.00 58.87 56.27 2kg5 n SER 90 Cb 0.56 1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 65.52 2kg5 n SER 90 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kg5 s LEU 91 N -2.13 2.47 0.22 1.04 2.96 -1.26 -5.17 118.68 116.81 2kg5 s LEU 91 Ca 0.12 -0.92 0.09 0.00 -0.22 0.00 0.00 54.13 53.19 2kg5 s LEU 91 Cb 0.19 -0.27 -0.05 0.00 0.50 0.00 0.00 46.19 46.56 2kg5 s LEU 91 CO -0.07 -0.33 -0.15 1.51 -1.32 0.00 0.00 176.35 175.98 2kg5 s ASP 92 N -2.82 2.80 1.18 3.68 1.47 -1.26 -5.16 116.67 116.56 2kg5 s ASP 92 Ca 0.11 -1.02 -0.15 0.00 1.18 0.00 0.00 52.55 52.66 2kg5 s ASP 92 Cb 0.01 -0.17 0.22 0.00 -0.34 0.00 0.00 42.92 42.64 2kg5 s ASP 92 CO -0.01 -0.13 0.80 -0.81 0.68 0.00 0.00 175.17 175.70 2kg5 n PRO 93 N -0.44 -2.57 -4.62 2.11 -0.04 -1.26 -5.08 135.00 123.10 2kg5 n PRO 93 Ca -0.07 -1.27 -0.23 0.00 -0.04 0.00 0.00 63.50 61.88 2kg5 n PRO 93 Cb 0.60 -1.19 -0.15 0.00 -0.04 0.00 0.00 33.50 32.73 2kg5 n PRO 93 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kg5 s LYS 94 N -4.81 1.20 -0.33 0.54 -2.85 -1.26 -5.11 119.74 107.13 2kg5 s LYS 94 Ca 0.52 -0.67 -0.02 0.00 -1.00 0.00 0.00 55.97 54.80 2kg5 s LYS 94 Cb -0.05 -1.20 0.12 0.00 -2.06 0.00 0.00 37.83 34.63 2kg5 s LYS 94 CO 0.40 0.32 0.16 0.45 0.10 0.00 0.00 175.35 176.77 2kg5 s SER 95 N -0.70 3.45 -0.15 0.03 0.15 -1.26 -5.10 113.70 110.12 2kg5 s SER 95 Ca 0.05 -1.76 -0.07 0.00 0.70 0.00 0.00 55.95 54.87 2kg5 s SER 95 Cb -0.07 -0.51 0.06 0.00 -1.71 0.00 0.00 66.02 63.79 2kg5 s SER 95 CO 0.00 -0.38 0.35 -1.81 1.20 0.00 0.00 173.24 172.60 2kg5 s ASP 96 N 1.53 -0.33 -0.10 5.45 1.01 -1.26 -5.15 116.67 117.82 2kg5 s ASP 96 Ca 0.13 0.77 0.03 0.00 0.71 0.00 0.00 52.55 54.19 2kg5 s ASP 96 Cb -0.19 0.73 0.01 0.00 1.01 0.00 0.00 42.92 44.47 2kg5 s ASP 96 CO -0.19 -0.19 -0.21 -0.44 0.21 0.00 0.00 175.17 174.34 2kg5 s SER 97 N 1.61 2.86 0.26 0.27 0.01 -1.26 -4.92 113.70 112.53 2kg5 s SER 97 Ca -0.07 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2kg5 s SER 97 Cb -0.10 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.82 2kg5 s SER 97 CO -0.11 0.11 0.00 0.00 0.41 0.00 0.00 173.24 173.65 2kg5 n ALA 98 N 3.73 0.00 -0.25 1.44 0.00 -1.26 -5.16 120.51 119.01 2kg5 n ALA 98 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2kg5 n ALA 98 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2kg5 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 n MET 99 N -3.24 0.00 0.00 0.00 0.00 -1.26 -5.39 117.12 107.22 2kg5 n MET 99 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.80 2kg5 n MET 99 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.30 2kg5 n MET 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06