#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 0.00 -2.56 1.57 1.56 -1.26 -5.13 117.12 111.30 2kg5 n MET 21 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.37 2kg5 n MET 21 Cb 0.00 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.32 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kg5 n ALA 22 N -2.06 -3.71 -0.92 -5.12 0.00 -1.26 -4.94 120.51 102.49 2kg5 n ALA 22 Ca 0.00 2.35 -0.32 0.00 0.00 0.00 0.00 53.44 55.47 2kg5 n ALA 22 Cb 0.00 -4.59 0.14 0.00 0.00 0.00 0.00 19.45 15.00 2kg5 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 s ALA 23 N -0.67 1.70 -0.02 0.00 0.00 -1.26 -4.97 121.76 116.54 2kg5 s ALA 23 Ca -0.28 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 2kg5 s ALA 23 Cb 0.02 -3.45 -0.19 0.00 0.00 0.00 0.00 23.12 19.50 2kg5 s ALA 23 CO 0.78 -2.47 1.21 -1.00 0.00 0.00 0.00 175.76 174.28 2kg5 h PRO 24 N -1.39 -0.08 0.00 0.00 0.13 -2.00 -3.47 132.00 125.19 2kg5 h PRO 24 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kg5 h PRO 24 Cb 1.28 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kg5 h PRO 24 CO 0.44 0.37 0.00 0.00 -0.23 0.00 0.00 178.00 178.58 2kg5 n GLN 25 N -4.90 0.00 -3.44 0.86 10.64 -1.26 -4.91 117.38 114.36 2kg5 n GLN 25 Ca -0.08 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.65 2kg5 n GLN 25 Cb 0.25 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.54 2kg5 n GLN 25 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2kg5 s ASP 26 N -1.99 6.08 -0.30 2.61 2.15 -1.26 -3.16 116.67 120.80 2kg5 s ASP 26 Ca 0.00 -1.13 -0.10 0.00 0.43 0.00 0.00 52.55 51.75 2kg5 s ASP 26 Cb 0.00 -2.15 0.15 0.00 -0.30 0.00 0.00 42.92 40.61 2kg5 s ASP 26 CO 0.00 -0.54 0.73 -0.22 -0.17 0.00 0.00 175.17 174.97 2kg5 s LEU 27 N 1.64 -1.04 0.08 -1.34 2.96 -1.26 -5.03 118.68 114.69 2kg5 s LEU 27 Ca 0.04 1.27 -0.37 0.00 -0.22 0.00 0.00 54.13 54.86 2kg5 s LEU 27 Cb -0.22 2.12 -0.18 0.00 0.50 0.00 0.00 46.19 48.42 2kg5 s LEU 27 CO 0.08 -0.20 1.15 -0.67 -1.32 0.00 0.00 176.35 175.39 2kg5 n ASP 28 N 5.35 0.78 0.30 3.68 -0.08 -1.26 -1.99 116.55 123.33 2kg5 n ASP 28 Ca -0.10 1.14 0.18 0.00 -1.51 0.00 0.00 54.79 54.51 2kg5 n ASP 28 Cb 0.50 -1.08 0.96 0.00 2.34 0.00 0.00 41.12 43.84 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 2.92 0.12 -0.04 5.18 6.09 -1.07 0.58 117.51 131.30 2kg5 h ILE 29 Ca -0.47 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 62.82 2kg5 h ILE 29 Cb 1.38 0.82 -0.00 0.00 0.47 0.00 0.00 36.82 39.49 2kg5 h ILE 29 CO 0.70 0.00 -0.84 0.00 -3.07 0.00 0.00 178.15 174.94 2kg5 h ALA 30 N 1.66 0.48 0.00 0.18 0.00 -1.83 -2.95 119.26 116.80 2kg5 h ALA 30 Ca 0.03 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 2kg5 h ALA 30 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kg5 h ALA 30 CO -0.00 0.80 -0.33 0.28 0.00 0.00 0.00 179.25 180.00 2kg5 h VAL 31 N 0.24 0.69 0.16 0.00 2.07 -1.22 -1.17 116.25 117.02 2kg5 h VAL 31 Ca -0.05 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2kg5 h VAL 31 Cb 1.44 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2kg5 h VAL 31 CO 0.14 0.32 -0.08 -0.25 0.02 0.00 0.00 177.57 177.73 2kg5 h TRP 32 N 0.00 -0.20 0.00 1.57 7.01 -1.44 -3.27 115.95 119.62 2kg5 h TRP 32 Ca -0.00 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2kg5 h TRP 32 Cb 0.97 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 28.09 2kg5 h TRP 32 CO 0.00 0.23 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.77 2kg5 h LEU 33 N -0.88 0.00 -2.67 0.65 3.38 -1.59 -2.95 115.31 111.24 2kg5 h LEU 33 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kg5 h LEU 33 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kg5 h LEU 33 CO 0.04 0.05 0.02 0.00 0.09 0.00 0.00 178.44 178.64 2kg5 h ALA 34 N 1.95 1.31 0.00 1.53 0.00 -1.26 0.05 119.26 122.85 2kg5 h ALA 34 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kg5 h ALA 34 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2kg5 h ALA 34 CO 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 179.25 179.05 2kg5 h THR 35 N 0.00 0.57 -0.21 0.00 1.03 -1.62 -2.67 112.91 110.01 2kg5 h THR 35 Ca 0.01 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 2kg5 h THR 35 Cb 0.05 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 2kg5 h THR 35 CO -0.00 0.18 0.00 1.33 -0.01 0.00 0.00 175.52 177.02 2kg5 n VAL 36 N -3.51 1.46 -3.28 0.00 0.24 -0.13 -4.98 118.33 108.13 2kg5 n VAL 36 Ca -0.01 -1.40 -0.17 0.00 -2.04 0.00 0.00 64.34 60.73 2kg5 n VAL 36 Cb 0.34 0.20 0.07 0.00 -1.47 0.00 0.00 33.84 32.98 2kg5 n VAL 36 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2kg5 n HIS 37 N -0.22 -2.08 -2.18 6.34 8.25 -0.95 -4.92 115.22 119.45 2kg5 n HIS 37 Ca 0.12 0.80 0.01 0.00 -0.26 0.00 0.00 57.72 58.40 2kg5 n HIS 37 Cb 0.54 -4.43 0.01 0.00 1.12 0.00 0.00 29.99 27.23 2kg5 n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2kg5 n LEU 38 N -3.88 0.36 0.26 2.41 4.77 -0.41 -4.86 117.00 115.65 2kg5 n LEU 38 Ca -0.12 -1.37 0.17 0.00 -0.03 0.00 0.00 56.01 54.67 2kg5 n LEU 38 Cb 0.60 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.60 2kg5 n LEU 38 CO 0.52 0.35 1.15 1.05 -1.33 0.00 0.00 177.39 179.12 2kg5 h GLU 39 N 0.37 0.00 -0.05 3.23 4.11 -1.77 -0.31 114.58 120.15 2kg5 h GLU 39 Ca -0.09 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.36 2kg5 h GLU 39 Cb 1.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 2kg5 h GLU 39 CO 0.04 0.00 0.07 -0.56 0.07 0.00 0.00 179.01 178.63 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.21 115.11 117.55 2kg5 h GLN 40 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 2kg5 h GLN 40 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 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 0.29 0.06 4.01 -0.13 -3.15 117.16 114.59 2kg5 n TYR 41 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.86 2kg5 n TYR 41 Cb 0.16 -0.37 0.85 0.00 -0.31 0.00 0.00 39.34 39.68 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 2.97 1.45 0.28 -0.72 0.00 -0.75 -2.83 119.26 119.66 2kg5 h ALA 42 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kg5 h ALA 42 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kg5 h ALA 42 CO 0.00 0.05 -0.16 0.22 0.00 0.00 0.00 179.25 179.36 2kg5 h ASP 43 N 0.00 -0.40 -0.61 0.00 1.82 -1.75 0.85 116.42 116.33 2kg5 h ASP 43 Ca -0.00 0.02 0.12 0.00 -0.39 0.00 0.00 57.03 56.78 2kg5 h ASP 43 Cb 0.11 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 2kg5 h ASP 43 CO 0.01 -0.25 0.41 0.00 -1.61 0.00 0.00 179.24 177.80 2kg5 h THR 44 N -0.41 0.84 0.26 2.25 1.03 -1.81 -1.77 112.91 113.30 2kg5 h THR 44 Ca -0.04 -0.11 -0.01 0.00 -0.01 0.00 0.00 66.41 66.24 2kg5 h THR 44 Cb 0.32 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 67.90 2kg5 h THR 44 CO 0.04 0.06 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.23 2kg5 h PHE 45 N 0.32 -0.32 -0.58 0.00 -1.00 -1.28 -2.28 116.94 111.80 2kg5 h PHE 45 Ca 0.29 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.11 2kg5 h PHE 45 Cb 0.70 0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.31 2kg5 h PHE 45 CO -0.00 -0.05 0.31 0.00 -1.61 0.00 0.00 178.31 176.97 2kg5 h ARG 46 N -0.57 0.58 0.00 1.51 3.08 -0.20 0.53 114.38 119.32 2kg5 h ARG 46 Ca -0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2kg5 h ARG 46 Cb 0.42 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2kg5 h ARG 46 CO 0.06 0.39 0.00 -0.09 -1.07 0.00 0.00 179.97 179.25 2kg5 h ARG 47 N 0.60 0.00 -0.00 0.04 9.65 -1.30 -0.22 114.38 123.15 2kg5 h ARG 47 Ca 0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 2kg5 h ARG 47 Cb 0.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2kg5 h ARG 47 CO -0.16 0.00 -0.19 1.58 2.80 0.00 0.00 179.97 184.00 2kg5 n HIS 48 N -2.42 0.00 0.00 2.20 -0.00 0.16 -4.90 115.22 110.26 2kg5 n HIS 48 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kg5 n HIS 48 Cb 0.13 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 29.75 2kg5 n HIS 48 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kg5 n GLY 49 N 1.37 1.02 2.52 1.57 0.00 -0.10 -5.06 105.19 106.51 2kg5 n GLY 49 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 1.00 -0.01 0.99 2.34 -1.10 -4.96 118.68 116.94 2kg5 s LEU 50 Ca 0.00 -1.87 0.18 0.00 0.06 0.00 0.00 54.13 52.51 2kg5 s LEU 50 Cb 0.00 -0.45 0.55 0.00 -0.56 0.00 0.00 46.19 45.73 2kg5 s LEU 50 CO 0.00 -0.36 1.45 0.00 -1.06 0.00 0.00 176.35 176.38 2kg5 n ALA 51 N 4.48 2.49 -2.99 1.48 0.00 -1.26 -3.09 120.51 121.62 2kg5 n ALA 51 Ca 0.05 -1.10 -0.10 0.00 0.00 0.00 0.00 53.44 52.28 2kg5 n ALA 51 Cb 0.39 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.27 0.10 0.11 0.00 -4.23 -1.26 -0.45 115.64 108.64 2kg5 s THR 52 Ca 0.41 -0.82 -0.27 0.00 -1.18 0.00 0.00 61.69 59.83 2kg5 s THR 52 Cb 0.22 -0.54 -0.07 0.00 1.34 0.00 0.00 72.50 73.45 2kg5 s THR 52 CO 0.27 -0.45 1.64 0.00 -0.54 0.00 0.00 174.62 175.53 2kg5 h ALA 53 N 4.14 -0.40 -0.58 3.99 0.00 -1.65 -1.47 119.26 123.29 2kg5 h ALA 53 Ca -0.31 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.70 2kg5 h ALA 53 Cb 1.19 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2kg5 h ALA 53 CO 0.43 -0.78 0.40 0.78 0.00 0.00 0.00 179.25 180.09 2kg5 h GLY 54 N -0.44 0.33 2.00 0.00 0.00 -1.83 0.29 103.07 103.42 2kg5 h GLY 54 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2kg5 h GLY 54 CO -0.17 0.04 -0.04 0.00 0.00 0.00 0.00 176.54 176.37 2kg5 h ALA 55 N 1.71 0.99 0.00 3.60 0.00 -1.52 -3.01 119.26 121.02 2kg5 h ALA 55 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2kg5 h ALA 55 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kg5 h ALA 55 CO -0.05 0.05 -1.02 0.00 0.00 0.00 0.00 179.25 178.23 2kg5 n ALA 56 N -2.11 4.70 -1.49 0.00 0.00 0.74 -4.83 120.51 117.52 2kg5 n ALA 56 Ca 0.02 -0.60 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2kg5 n ALA 56 Cb 0.44 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.52 0.74 0.00 0.00 0.63 0.35 -1.68 116.66 115.17 2kg5 n ARG 57 Ca 0.04 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 2kg5 n ARG 57 Cb 0.34 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.74 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 6.37 1.12 3.57 5.14 0.00 -1.26 -5.06 105.19 115.07 2kg5 n GLY 58 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 2.12 0.00 0.99 4.77 -0.68 -5.01 117.00 119.19 2kg5 n LEU 59 Ca 0.00 0.97 -0.21 0.00 -0.03 0.00 0.00 56.01 56.74 2kg5 n LEU 59 Cb 0.00 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 39.75 2kg5 n LEU 59 CO 0.00 -1.87 -0.15 0.61 -1.33 0.00 0.00 177.39 174.65 2kg5 n GLY 60 N 1.34 3.76 0.44 -0.72 0.00 -1.26 -5.00 105.19 103.74 2kg5 n GLY 60 Ca 0.10 -2.31 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 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 1.15 -1.00 -0.10 1.61 3.86 -1.98 -0.74 115.15 117.95 2kg5 h HIS 61 Ca -0.27 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.94 2kg5 h HIS 61 Cb 0.83 0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 2kg5 h HIS 61 CO 0.00 -0.62 0.18 0.93 0.86 0.00 0.00 177.93 179.28 2kg5 h GLU 62 N -1.28 0.00 0.14 2.45 4.39 -2.01 -0.03 114.58 118.24 2kg5 h GLU 62 Ca -0.11 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.31 2kg5 h GLU 62 Cb 0.83 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2kg5 h GLU 62 CO 0.18 0.00 -1.25 0.93 -1.16 0.00 0.00 179.01 177.71 2kg5 h GLU 63 N 0.00 0.35 0.00 2.33 4.39 -1.90 -3.26 114.58 116.49 2kg5 h GLU 63 Ca 0.05 -0.56 -0.07 0.00 0.34 0.00 0.00 59.36 59.12 2kg5 h GLU 63 Cb 0.40 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2kg5 h GLU 63 CO -0.00 1.25 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.72 2kg5 h LEU 64 N 0.11 0.00 -0.60 1.33 4.07 0.53 -2.13 115.31 118.63 2kg5 h LEU 64 Ca -0.15 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 2kg5 h LEU 64 Cb 1.96 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.67 2kg5 h LEU 64 CO 0.21 0.32 0.20 0.11 -1.08 0.00 0.00 178.44 178.20 2kg5 h LYS 65 N 0.00 0.92 0.00 1.13 1.57 -1.51 -2.30 116.57 116.38 2kg5 h LYS 65 Ca -0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2kg5 h LYS 65 Cb 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2kg5 h LYS 65 CO 0.04 0.81 -0.11 1.04 -0.57 0.00 0.00 179.45 180.66 2kg5 n GLN 66 N -4.42 0.13 0.24 3.15 6.02 -1.08 -3.35 117.38 118.06 2kg5 n GLN 66 Ca 0.03 0.09 0.12 0.00 -0.01 0.00 0.00 57.00 57.23 2kg5 n GLN 66 Cb 0.19 -1.63 0.55 0.00 1.02 0.00 0.00 30.24 30.37 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 -3.46 115.31 115.51 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 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kg5 h LEU 67 CO 0.00 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2kg5 n GLY 68 N 0.03 1.41 3.64 0.83 0.00 -1.21 -4.90 105.19 104.99 2kg5 n GLY 68 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.70 4.54 -0.01 -0.61 1.01 -1.15 -4.97 121.20 118.31 2kg5 s ILE 69 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2kg5 s ILE 69 Cb 0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2kg5 s ILE 69 CO 0.00 0.51 0.03 -1.20 0.00 0.00 0.00 174.94 174.29 2kg5 n SER 70 N 3.08 4.37 -4.61 3.58 7.64 -1.26 -4.44 113.62 121.98 2kg5 n SER 70 Ca -0.17 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.28 2kg5 n SER 70 Cb 0.53 0.84 -0.02 0.00 -1.01 0.00 0.00 64.21 64.55 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 -2.13 3.06 0.14 -0.43 0.00 -1.26 -4.89 121.76 116.25 2kg5 s ALA 71 Ca -0.01 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 2kg5 s ALA 71 Cb 0.01 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2kg5 s ALA 71 CO 0.11 -2.33 1.69 1.79 0.00 0.00 0.00 175.76 177.02 2kg5 h THR 72 N 6.48 1.19 0.00 0.00 1.35 -2.00 -0.92 112.91 119.02 2kg5 h THR 72 Ca -0.31 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 2kg5 h THR 72 Cb 1.14 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2kg5 h THR 72 CO 1.04 0.22 -0.06 1.23 -0.25 0.00 0.00 175.52 177.71 2kg5 h GLY 73 N 0.53 0.00 0.86 5.82 0.00 -1.99 -2.25 103.07 106.05 2kg5 h GLY 73 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.18 2kg5 h GLY 73 CO -0.01 0.00 -1.36 0.45 0.00 0.00 0.00 176.54 175.62 2kg5 h HIS 74 N 0.00 0.69 0.10 5.60 -0.00 -1.84 -3.12 115.15 116.58 2kg5 h HIS 74 Ca -0.00 -0.50 0.01 0.00 -0.00 0.00 0.00 60.37 59.88 2kg5 h HIS 74 Cb 0.13 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 2kg5 h HIS 74 CO 0.00 1.53 -0.14 -0.09 -0.00 0.00 0.00 177.93 179.22 2kg5 h ARG 75 N -0.10 -0.28 0.00 2.45 2.43 -0.81 -0.98 114.38 117.08 2kg5 h ARG 75 Ca -0.26 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2kg5 h ARG 75 Cb 1.92 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 2kg5 h ARG 75 CO 0.17 -0.19 0.00 0.87 -1.51 0.00 0.00 179.97 179.31 2kg5 h LYS 76 N -0.30 0.00 0.00 0.20 1.57 -1.57 -1.52 116.57 114.95 2kg5 h LYS 76 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2kg5 h LYS 76 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2kg5 h LYS 76 CO -0.07 0.00 -0.25 -0.09 -0.57 0.00 0.00 179.45 178.47 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.12 -2.91 114.38 115.93 2kg5 h ARG 77 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2kg5 h ARG 77 Cb 0.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2kg5 h ARG 77 CO 0.00 0.25 -1.14 -0.89 -1.51 0.00 0.00 179.97 176.68 2kg5 n ILE 78 N -3.18 1.49 -0.13 1.20 5.41 -0.62 -4.18 119.36 119.34 2kg5 n ILE 78 Ca 0.03 0.03 0.14 0.00 1.00 0.00 0.00 62.75 63.95 2kg5 n ILE 78 Cb 0.61 -2.18 0.51 0.00 -0.71 0.00 0.00 39.64 37.87 2kg5 n ILE 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2kg5 h LEU 79 N -1.00 0.37 -2.41 1.39 3.38 -1.57 0.28 115.31 115.76 2kg5 h LEU 79 Ca -0.24 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2kg5 h LEU 79 Cb 1.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2kg5 h LEU 79 CO -0.14 0.21 -0.02 0.08 0.09 0.00 0.00 178.44 178.65 2kg5 h ARG 80 N 0.40 0.00 0.01 1.13 -0.00 -1.70 -2.31 114.38 111.91 2kg5 h ARG 80 Ca 0.33 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.97 2kg5 h ARG 80 Cb 0.74 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 30.65 2kg5 h ARG 80 CO -0.10 0.02 -2.09 -0.11 -0.00 0.00 0.00 179.97 177.69 2kg5 n LEU 81 N -3.22 0.92 -0.26 0.08 7.94 0.91 -4.09 117.00 119.27 2kg5 n LEU 81 Ca -0.02 0.17 -0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2kg5 n LEU 81 Cb 0.16 0.06 0.20 0.00 0.53 0.00 0.00 43.42 44.37 2kg5 n LEU 81 CO 0.24 0.54 1.25 0.25 -1.11 0.00 0.00 177.39 178.55 2kg5 h LEU 82 N 0.01 0.95 -0.01 -1.96 6.46 -0.77 -2.79 115.31 117.20 2kg5 h LEU 82 Ca -0.44 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2kg5 h LEU 82 Cb 2.10 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.79 2kg5 h LEU 82 CO 0.04 0.70 0.00 1.56 -0.62 0.00 0.00 178.44 180.12 2kg5 h GLN 83 N 1.12 0.01 -6.97 1.25 4.20 -1.67 -3.46 115.11 109.59 2kg5 h GLN 83 Ca 0.30 -0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.44 2kg5 h GLN 83 Cb -0.11 -0.00 -0.34 0.00 0.30 0.00 0.00 27.48 27.33 2kg5 h GLN 83 CO -0.06 0.23 -0.82 -2.37 -0.67 0.00 0.00 178.83 175.14 2kg5 n THR 84 N -4.97 -0.08 -2.01 -0.54 5.66 -1.05 -4.67 114.28 106.61 2kg5 n THR 84 Ca -0.08 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.87 2kg5 n THR 84 Cb 0.13 -0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 68.30 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 0.58 4.00 1.09 0.00 -1.26 -5.08 105.19 103.48 2kg5 n GLY 85 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2kg5 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kg5 s THR 86 N 0.00 2.27 -0.01 2.61 -4.23 -1.26 -5.13 115.64 109.89 2kg5 s THR 86 Ca 0.00 -1.10 0.05 0.00 -1.18 0.00 0.00 61.69 59.46 2kg5 s THR 86 Cb 0.00 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 2kg5 s THR 86 CO -0.00 0.00 -0.15 -1.83 -0.54 0.00 0.00 174.62 172.10 2kg5 s GLU 87 N -4.51 1.20 0.90 3.99 -1.05 -1.26 -5.13 118.70 112.84 2kg5 s GLU 87 Ca 0.55 -0.57 -0.14 0.00 -0.15 0.00 0.00 54.97 54.67 2kg5 s GLU 87 Cb -0.06 -1.17 0.01 0.00 -0.44 0.00 0.00 34.13 32.48 2kg5 s GLU 87 CO 0.34 0.32 0.40 -1.91 0.95 0.00 0.00 175.26 175.36 2kg5 n GLU 88 N 2.61 -0.14 -3.69 -4.83 2.13 -1.26 -5.02 120.64 110.44 2kg5 n GLU 88 Ca -0.15 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.47 2kg5 n GLU 88 Cb 0.55 -1.83 -0.18 0.00 0.27 0.00 0.00 31.44 30.25 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kg5 s GLY 89 N -1.86 0.25 0.03 8.31 0.00 -1.26 -5.14 107.32 107.64 2kg5 s GLY 89 Ca 0.58 0.15 0.05 0.00 0.00 0.00 0.00 44.72 45.50 2kg5 s GLY 89 CO 0.66 1.34 -0.13 -1.35 0.00 0.00 0.00 173.10 173.62 2kg5 s SER 90 N 2.11 4.17 0.27 1.64 1.04 -1.26 -5.13 113.70 116.55 2kg5 s SER 90 Ca 0.05 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.20 2kg5 s SER 90 Cb -0.12 -0.82 -0.03 0.00 0.10 0.00 0.00 66.02 65.15 2kg5 s SER 90 CO -0.03 0.26 0.23 -1.48 0.98 0.00 0.00 173.24 173.20 2kg5 s LEU 91 N -1.47 1.41 0.15 2.42 0.05 -1.26 -5.18 118.68 114.80 2kg5 s LEU 91 Ca 0.16 -1.56 -0.21 0.00 0.05 0.00 0.00 54.13 52.57 2kg5 s LEU 91 Cb -0.11 0.55 0.06 0.00 -2.05 0.00 0.00 46.19 44.64 2kg5 s LEU 91 CO 0.07 -0.98 0.54 1.51 -0.55 0.00 0.00 176.35 176.94 2kg5 s ASP 92 N -3.26 -0.46 1.05 1.48 1.47 -1.26 -5.18 116.67 110.50 2kg5 s ASP 92 Ca 0.39 -0.10 -0.04 0.00 1.18 0.00 0.00 52.55 53.98 2kg5 s ASP 92 Cb 0.04 0.56 0.06 0.00 -0.34 0.00 0.00 42.92 43.24 2kg5 s ASP 92 CO 0.20 -0.94 0.20 -0.81 0.68 0.00 0.00 175.17 174.50 2kg5 n PRO 93 N -0.33 -1.41 -3.15 2.11 -0.04 -1.26 -5.10 135.00 125.82 2kg5 n PRO 93 Ca -0.17 -0.32 0.05 0.00 -0.04 0.00 0.00 63.50 63.02 2kg5 n PRO 93 Cb 0.65 -0.30 -0.01 0.00 -0.04 0.00 0.00 33.50 33.79 2kg5 n PRO 93 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kg5 s LYS 94 N -3.46 0.35 -0.15 0.54 2.20 -1.26 -5.15 119.74 112.81 2kg5 s LYS 94 Ca 0.13 0.62 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 2kg5 s LYS 94 Cb -0.01 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.66 2kg5 s LYS 94 CO 0.10 -0.37 -0.20 -1.12 -0.36 0.00 0.00 175.35 173.40 2kg5 s SER 95 N 2.91 3.22 0.18 1.43 0.01 -1.26 -5.11 113.70 115.07 2kg5 s SER 95 Ca 0.08 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 2kg5 s SER 95 Cb -0.12 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 2kg5 s SER 95 CO -0.15 0.06 0.17 1.51 0.41 0.00 0.00 173.24 175.23 2kg5 s ASP 96 N 0.95 0.16 0.47 2.44 1.47 -1.26 -5.12 116.67 115.78 2kg5 s ASP 96 Ca -0.03 -1.21 0.00 0.00 1.18 0.00 0.00 52.55 52.49 2kg5 s ASP 96 Cb -0.15 0.39 0.00 0.00 -0.34 0.00 0.00 42.92 42.82 2kg5 s ASP 96 CO -0.05 -0.85 0.00 -1.54 0.68 0.00 0.00 175.17 173.42 2kg5 n SER 97 N -0.22 -7.61 -2.70 2.11 3.41 -1.26 -4.95 113.62 102.40 2kg5 n SER 97 Ca -0.02 1.03 -0.06 0.00 -0.26 0.00 0.00 58.87 59.56 2kg5 n SER 97 Cb 0.64 -4.28 0.09 0.00 -0.26 0.00 0.00 64.21 60.40 2kg5 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kg5 n ALA 98 N -3.48 -0.92 -2.29 7.33 0.00 -1.26 -4.95 120.51 114.93 2kg5 n ALA 98 Ca -0.05 -1.04 -0.21 0.00 0.00 0.00 0.00 53.44 52.15 2kg5 n ALA 98 Cb 0.61 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 2kg5 n ALA 98 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2kg5 n MET 99 N -0.03 -1.67 0.00 0.00 1.56 -1.26 -5.38 117.12 110.34 2kg5 n MET 99 Ca -0.04 1.03 0.00 0.00 -0.27 0.00 0.00 57.70 58.42 2kg5 n MET 99 Cb 0.75 -5.66 0.00 0.00 2.15 0.00 0.00 33.22 30.46 2kg5 n MET 99 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39