#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 -5.88 -1.31 -1.40 1.56 -1.26 -4.51 117.12 104.32 2kg5 n MET 21 Ca 0.00 0.80 -0.30 0.00 -0.27 0.00 0.00 57.70 57.92 2kg5 n MET 21 Cb 0.00 -5.56 0.24 0.00 2.15 0.00 0.00 33.22 30.05 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kg5 s ALA 22 N -3.21 1.00 0.90 -5.12 0.00 -1.26 -3.75 121.76 110.32 2kg5 s ALA 22 Ca 0.41 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 2kg5 s ALA 22 Cb -0.18 -2.80 0.06 0.00 0.00 0.00 0.00 23.12 20.19 2kg5 s ALA 22 CO 0.50 -3.43 0.67 0.00 0.00 0.00 0.00 175.76 173.50 2kg5 n ALA 23 N -4.60 -1.82 -1.09 0.00 0.00 -1.26 -4.93 120.51 106.82 2kg5 n ALA 23 Ca 0.16 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 2kg5 n ALA 23 Cb 0.60 -1.94 0.24 0.00 0.00 0.00 0.00 19.45 18.34 2kg5 n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kg5 s PRO 24 N -3.80 -1.12 0.30 0.00 0.04 -1.26 -4.99 135.00 124.17 2kg5 s PRO 24 Ca 0.62 -0.03 0.11 0.00 0.04 0.00 0.00 61.00 61.74 2kg5 s PRO 24 Cb -0.24 -1.60 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2kg5 s PRO 24 CO 0.63 -3.65 -0.16 1.14 0.04 0.00 0.00 177.00 175.00 2kg5 s GLN 25 N -5.37 1.71 -1.69 4.56 -2.07 -1.26 -4.17 119.66 111.37 2kg5 s GLN 25 Ca 0.70 -1.83 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 2kg5 s GLN 25 Cb -0.10 -1.70 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 2kg5 s GLN 25 CO 0.56 0.25 0.00 -3.47 -1.32 0.00 0.00 175.29 171.31 2kg5 n ASP 26 N -0.67 -4.84 -4.59 12.60 2.03 -1.26 -4.93 116.55 114.89 2kg5 n ASP 26 Ca -0.05 0.27 -0.39 0.00 0.52 0.00 0.00 54.79 55.13 2kg5 n ASP 26 Cb 0.61 -4.21 -0.10 0.00 -0.72 0.00 0.00 41.12 36.70 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 -5.02 4.12 0.13 -2.67 2.96 -1.26 -5.02 118.68 111.92 2kg5 s LEU 27 Ca 0.00 0.07 -0.34 0.00 -0.22 0.00 0.00 54.13 53.64 2kg5 s LEU 27 Cb 0.00 -2.29 -0.17 0.00 0.50 0.00 0.00 46.19 44.23 2kg5 s LEU 27 CO 0.00 -0.16 1.10 -0.67 -1.32 0.00 0.00 176.35 175.29 2kg5 n ASP 28 N 5.24 0.84 0.34 3.68 -0.08 -1.26 -1.81 116.55 123.49 2kg5 n ASP 28 Ca -0.11 1.14 0.22 0.00 -1.51 0.00 0.00 54.79 54.53 2kg5 n ASP 28 Cb 0.51 -1.13 1.15 0.00 2.34 0.00 0.00 41.12 43.99 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 2.63 0.01 0.00 5.18 6.09 -0.80 -0.60 117.51 130.01 2kg5 h ILE 29 Ca -0.44 0.00 -0.23 0.00 -1.37 0.00 0.00 64.86 62.83 2kg5 h ILE 29 Cb 1.37 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.60 2kg5 h ILE 29 CO 0.69 0.00 -0.94 0.00 -3.07 0.00 0.00 178.15 174.82 2kg5 h ALA 30 N 1.88 0.36 0.00 0.18 0.00 -1.84 -3.01 119.26 116.84 2kg5 h ALA 30 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 2kg5 h ALA 30 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kg5 h ALA 30 CO -0.00 0.82 -0.32 0.28 0.00 0.00 0.00 179.25 180.03 2kg5 h VAL 31 N 0.23 0.69 0.12 0.00 2.07 -1.45 -1.01 116.25 116.89 2kg5 h VAL 31 Ca -0.08 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2kg5 h VAL 31 Cb 1.58 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 2kg5 h VAL 31 CO 0.16 0.32 -0.06 -0.25 0.02 0.00 0.00 177.57 177.76 2kg5 h TRP 32 N 0.00 -0.15 0.00 1.57 7.01 -1.48 -3.27 115.95 119.64 2kg5 h TRP 32 Ca -0.00 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2kg5 h TRP 32 Cb 0.95 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 28.06 2kg5 h TRP 32 CO 0.00 0.35 -0.09 -0.07 -2.79 0.00 0.00 178.44 175.84 2kg5 h LEU 33 N -0.81 0.00 -2.76 0.65 3.38 -1.59 -3.01 115.31 111.17 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 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kg5 h LEU 33 CO 0.03 0.09 -0.00 0.00 0.09 0.00 0.00 178.44 178.64 2kg5 h ALA 34 N 1.91 1.15 0.00 1.53 0.00 -1.22 -0.36 119.26 122.27 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 0.78 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kg5 h ALA 34 CO 0.01 0.01 -0.18 0.00 0.00 0.00 0.00 179.25 179.09 2kg5 h THR 35 N 0.00 0.59 -0.17 0.00 1.03 -1.61 -2.64 112.91 110.10 2kg5 h THR 35 Ca -0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 66.41 65.59 2kg5 h THR 35 Cb 0.03 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 2kg5 h THR 35 CO 0.00 0.17 0.00 1.33 -0.01 0.00 0.00 175.52 177.01 2kg5 n VAL 36 N -3.55 1.56 -3.31 0.00 0.24 -0.29 -4.97 118.33 108.00 2kg5 n VAL 36 Ca -0.01 -1.52 -0.17 0.00 -2.04 0.00 0.00 64.34 60.59 2kg5 n VAL 36 Cb 0.32 0.13 0.07 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.42 -2.15 -2.01 6.34 -0.00 -1.00 -4.92 115.22 111.07 2kg5 n HIS 37 Ca 0.13 0.80 0.02 0.00 -0.00 0.00 0.00 57.72 58.67 2kg5 n HIS 37 Cb 0.57 -4.33 0.03 0.00 -0.00 0.00 0.00 29.99 26.25 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 -3.94 0.60 0.25 0.27 4.77 -0.35 -4.84 117.00 113.77 2kg5 n LEU 38 Ca -0.07 -1.58 0.18 0.00 -0.03 0.00 0.00 56.01 54.50 2kg5 n LEU 38 Cb 0.58 -0.07 0.89 0.00 -2.33 0.00 0.00 43.42 42.49 2kg5 n LEU 38 CO 0.51 0.41 1.15 1.05 -1.33 0.00 0.00 177.39 179.18 2kg5 h GLU 39 N 0.28 0.00 -0.10 3.23 4.11 -1.77 -0.28 114.58 120.05 2kg5 h GLU 39 Ca -0.06 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.40 2kg5 h GLU 39 Cb 1.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 2kg5 h GLU 39 CO 0.02 0.00 0.11 -0.56 0.07 0.00 0.00 179.01 178.66 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.24 115.11 117.58 2kg5 h GLN 40 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 2kg5 h GLN 40 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 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 -3.85 0.00 0.28 0.06 4.01 -0.12 -3.11 117.16 114.44 2kg5 n TYR 41 Ca -0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.86 2kg5 n TYR 41 Cb 0.22 -0.38 0.81 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 2.89 1.60 0.24 -0.72 0.00 -0.69 -2.71 119.26 119.87 2kg5 h ALA 42 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kg5 h ALA 42 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kg5 h ALA 42 CO 0.00 0.04 -0.14 0.22 0.00 0.00 0.00 179.25 179.37 2kg5 h ASP 43 N 0.00 -0.35 -0.60 0.00 1.82 -1.75 0.71 116.42 116.26 2kg5 h ASP 43 Ca -0.00 0.02 0.13 0.00 -0.39 0.00 0.00 57.03 56.78 2kg5 h ASP 43 Cb 0.07 0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 2kg5 h ASP 43 CO 0.00 -0.22 0.41 0.00 -1.61 0.00 0.00 179.24 177.83 2kg5 h THR 44 N -0.36 0.82 0.24 2.25 1.03 -1.80 -1.75 112.91 113.35 2kg5 h THR 44 Ca -0.03 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.26 2kg5 h THR 44 Cb 0.28 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 67.89 2kg5 h THR 44 CO 0.04 0.05 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.22 2kg5 h PHE 45 N 0.27 -0.30 -0.56 0.00 -1.00 -1.26 -2.24 116.94 111.83 2kg5 h PHE 45 Ca 0.29 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.10 2kg5 h PHE 45 Cb 0.76 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.37 2kg5 h PHE 45 CO -0.00 -0.03 0.32 0.00 -1.61 0.00 0.00 178.31 176.98 2kg5 h ARG 46 N -0.55 0.59 0.00 1.51 3.08 -0.17 0.23 114.38 119.06 2kg5 h ARG 46 Ca -0.03 -0.04 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 30.32 2kg5 h ARG 46 CO 0.06 0.39 0.00 -0.09 -1.07 0.00 0.00 179.97 179.26 2kg5 h ARG 47 N 0.61 0.00 -0.00 0.04 9.65 -1.30 -0.13 114.38 123.25 2kg5 h ARG 47 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 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 -0.19 1.58 2.80 0.00 0.00 179.97 184.02 2kg5 n HIS 48 N -2.43 0.00 -0.02 2.20 -0.00 0.04 -4.90 115.22 110.12 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 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 29.79 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 1.35 0.99 2.50 1.57 0.00 -0.06 -5.06 105.19 106.48 2kg5 n GLY 49 Ca 0.12 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 0.90 -0.04 0.99 2.34 -1.06 -4.95 118.68 116.85 2kg5 s LEU 50 Ca 0.00 -1.86 0.21 0.00 0.06 0.00 0.00 54.13 52.54 2kg5 s LEU 50 Cb 0.00 -0.41 0.68 0.00 -0.56 0.00 0.00 46.19 45.90 2kg5 s LEU 50 CO 0.00 -0.36 1.58 0.00 -1.06 0.00 0.00 176.35 176.51 2kg5 n ALA 51 N 4.49 2.67 -2.98 1.48 0.00 -1.26 -3.03 120.51 121.87 2kg5 n ALA 51 Ca 0.05 -1.40 -0.11 0.00 0.00 0.00 0.00 53.44 51.99 2kg5 n ALA 51 Cb 0.39 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.35 0.10 0.56 0.00 -4.23 -1.26 -0.09 115.64 109.37 2kg5 s THR 52 Ca 0.50 -0.82 0.38 0.00 -1.18 0.00 0.00 61.69 60.57 2kg5 s THR 52 Cb 0.28 -0.58 0.40 0.00 1.34 0.00 0.00 72.50 73.94 2kg5 s THR 52 CO 0.30 -0.45 2.27 0.00 -0.54 0.00 0.00 174.62 176.20 2kg5 h ALA 53 N 4.06 1.15 0.00 3.99 0.00 -1.62 -1.12 119.26 125.72 2kg5 h ALA 53 Ca -0.31 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2kg5 h ALA 53 Cb 1.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2kg5 h ALA 53 CO 0.44 0.02 -0.60 0.78 0.00 0.00 0.00 179.25 179.89 2kg5 h GLY 54 N 0.32 0.00 0.19 0.00 0.00 -1.83 -2.78 103.07 98.98 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 -0.46 0.00 0.00 0.00 0.00 176.54 176.08 2kg5 n ALA 55 N -2.24 3.52 0.43 3.60 0.00 -0.48 -3.93 120.51 121.41 2kg5 n ALA 55 Ca 0.01 -0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.06 2kg5 n ALA 55 Cb 0.73 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 2kg5 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 n ALA 56 N -0.88 3.42 -1.49 0.00 0.00 -0.89 -4.74 120.51 115.94 2kg5 n ALA 56 Ca 0.09 -0.41 -0.44 0.00 0.00 0.00 0.00 53.44 52.68 2kg5 n ALA 56 Cb 0.36 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 2kg5 n ALA 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kg5 n ARG 57 N -1.63 0.73 0.00 0.00 1.74 -1.05 -1.52 116.66 114.93 2kg5 n ARG 57 Ca 0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2kg5 n ARG 57 Cb 0.31 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kg5 n GLY 58 N 6.40 1.08 3.58 -0.13 0.00 -1.26 -5.08 105.19 109.78 2kg5 n GLY 58 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 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 2.29 0.00 0.99 4.77 -0.58 -5.01 117.00 119.47 2kg5 n LEU 59 Ca 0.00 0.97 -0.22 0.00 -0.03 0.00 0.00 56.01 56.72 2kg5 n LEU 59 Cb 0.00 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 39.72 2kg5 n LEU 59 CO 0.00 -1.83 -0.16 0.61 -1.33 0.00 0.00 177.39 174.69 2kg5 n GLY 60 N 1.32 3.62 0.31 -0.72 0.00 -1.26 -5.02 105.19 103.43 2kg5 n GLY 60 Ca 0.10 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 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 1.32 -0.67 -0.61 1.61 3.86 -1.98 -0.78 115.15 117.89 2kg5 h HIS 61 Ca -0.29 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.04 2kg5 h HIS 61 Cb 0.94 0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.60 2kg5 h HIS 61 CO 0.00 -0.35 0.42 0.93 0.86 0.00 0.00 177.93 179.79 2kg5 h GLU 62 N -1.07 0.23 -0.00 2.45 3.07 -2.01 0.90 114.58 118.16 2kg5 h GLU 62 Ca -0.07 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.60 2kg5 h GLU 62 Cb 0.62 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 2kg5 h GLU 62 CO 0.12 0.15 -0.80 1.49 -1.40 0.00 0.00 179.01 178.57 2kg5 h GLU 63 N 0.24 0.07 0.00 2.33 4.57 -1.95 -3.11 114.58 116.74 2kg5 h GLU 63 Ca 0.29 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 2kg5 h GLU 63 Cb 0.82 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 2kg5 h GLU 63 CO -0.06 0.83 -0.25 -0.07 -1.18 0.00 0.00 179.01 178.28 2kg5 h LEU 64 N 0.04 0.00 -0.53 1.64 3.38 0.71 -2.59 115.31 117.96 2kg5 h LEU 64 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2kg5 h LEU 64 Cb 1.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 2kg5 h LEU 64 CO 0.11 0.25 0.16 0.11 0.09 0.00 0.00 178.44 179.15 2kg5 h LYS 65 N 0.00 0.82 0.00 1.13 1.57 -1.37 -2.38 116.57 116.34 2kg5 h LYS 65 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2kg5 h LYS 65 Cb 0.63 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2kg5 h LYS 65 CO 0.03 0.77 -0.07 1.04 -0.57 0.00 0.00 179.45 180.65 2kg5 n GLN 66 N -4.46 0.15 0.23 3.15 6.02 -1.12 -3.28 117.38 118.07 2kg5 n GLN 66 Ca 0.02 0.11 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 2kg5 n GLN 66 Cb 0.21 -1.66 0.49 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.04 -3.46 115.31 115.27 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 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kg5 h LEU 67 CO 0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2kg5 n GLY 68 N 0.18 1.80 3.56 0.83 0.00 -1.20 -4.90 105.19 105.46 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 -2.00 4.52 -0.02 -0.61 1.01 -1.12 -4.95 121.20 118.03 2kg5 s ILE 69 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2kg5 s ILE 69 Cb 0.00 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.37 2kg5 s ILE 69 CO 0.00 0.43 0.06 -1.20 0.00 0.00 0.00 174.94 174.23 2kg5 n SER 70 N 3.88 4.06 -4.65 3.58 7.64 -1.26 -4.46 113.62 122.40 2kg5 n SER 70 Ca -0.17 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.29 2kg5 n SER 70 Cb 0.52 0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 64.64 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 -2.21 3.58 -0.00 -0.43 0.00 -1.26 -4.92 121.76 116.52 2kg5 s ALA 71 Ca -0.02 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 2kg5 s ALA 71 Cb 0.02 -3.70 -0.18 0.00 0.00 0.00 0.00 23.12 19.25 2kg5 s ALA 71 CO 0.16 -1.39 1.31 1.15 0.00 0.00 0.00 175.76 177.00 2kg5 h THR 72 N 5.64 1.36 0.00 0.00 2.02 -2.00 -1.63 112.91 118.30 2kg5 h THR 72 Ca -0.32 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 2kg5 h THR 72 Cb 1.13 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.57 2kg5 h THR 72 CO 0.97 0.30 -0.01 1.23 0.37 0.00 0.00 175.52 178.39 2kg5 h GLY 73 N -0.35 0.00 0.44 2.16 0.00 -1.99 -2.12 103.07 101.20 2kg5 h GLY 73 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2kg5 h GLY 73 CO 0.01 0.00 -1.07 0.45 0.00 0.00 0.00 176.54 175.93 2kg5 h HIS 74 N 0.00 0.35 -0.10 5.60 -0.00 -1.93 -3.16 115.15 115.90 2kg5 h HIS 74 Ca -0.00 -0.25 0.03 0.00 -0.00 0.00 0.00 60.37 60.15 2kg5 h HIS 74 Cb 0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.39 2kg5 h HIS 74 CO 0.00 1.42 -0.07 -0.09 -0.00 0.00 0.00 177.93 179.19 2kg5 h ARG 75 N -0.51 -0.07 0.00 2.45 2.43 -0.87 -0.46 114.38 117.36 2kg5 h ARG 75 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2kg5 h ARG 75 Cb 1.57 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 2kg5 h ARG 75 CO 0.04 -0.05 0.00 0.87 -1.51 0.00 0.00 179.97 179.32 2kg5 h LYS 76 N -0.07 0.00 0.00 0.20 1.57 -1.57 -1.51 116.57 115.19 2kg5 h LYS 76 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2kg5 h LYS 76 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2kg5 h LYS 76 CO -0.15 0.00 -0.37 -0.09 -0.57 0.00 0.00 179.45 178.27 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.06 -2.83 114.38 116.07 2kg5 h ARG 77 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2kg5 h ARG 77 Cb 0.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2kg5 h ARG 77 CO 0.00 0.37 -0.81 0.82 -1.51 0.00 0.00 179.97 178.84 2kg5 h ILE 78 N 0.00 0.47 -0.74 1.20 2.04 -0.81 -3.36 117.51 116.31 2kg5 h ILE 78 Ca -0.00 -1.58 0.12 0.00 1.00 0.00 0.00 64.86 64.40 2kg5 h ILE 78 Cb 1.21 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 2kg5 h ILE 78 CO 0.05 0.16 0.49 -0.07 0.00 0.00 0.00 178.15 178.78 2kg5 h LEU 79 N -1.00 0.47 -2.50 1.44 3.38 -1.57 0.27 115.31 115.79 2kg5 h LEU 79 Ca -0.16 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2kg5 h LEU 79 Cb 0.86 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2kg5 h LEU 79 CO -0.10 0.26 -0.02 0.03 0.09 0.00 0.00 178.44 178.71 2kg5 h ARG 80 N 0.51 0.00 0.01 1.13 2.47 -1.67 -1.93 114.38 114.89 2kg5 h ARG 80 Ca 0.35 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.73 2kg5 h ARG 80 Cb 0.67 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.94 2kg5 h ARG 80 CO -0.12 0.02 -2.10 -0.11 0.56 0.00 0.00 179.97 178.22 2kg5 n LEU 81 N -3.23 0.84 0.01 3.04 7.94 0.86 -4.25 117.00 122.21 2kg5 n LEU 81 Ca -0.02 0.17 -0.03 0.00 -1.11 0.00 0.00 56.01 55.02 2kg5 n LEU 81 Cb 0.14 0.10 0.22 0.00 0.53 0.00 0.00 43.42 44.41 2kg5 n LEU 81 CO 0.23 0.53 0.77 0.25 -1.11 0.00 0.00 177.39 178.06 2kg5 h LEU 82 N 0.01 0.49 0.00 -1.96 6.46 -0.67 -2.06 115.31 117.58 2kg5 h LEU 82 Ca -0.44 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 2kg5 h LEU 82 Cb 2.11 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.90 2kg5 h LEU 82 CO 0.04 0.71 0.00 0.00 -0.62 0.00 0.00 178.44 178.57 2kg5 n GLN 83 N -4.15 0.65 -0.80 1.25 6.02 -0.79 -4.79 117.38 114.78 2kg5 n GLN 83 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 2kg5 n GLN 83 Cb 0.38 -1.07 0.12 0.00 1.02 0.00 0.00 30.24 30.68 2kg5 n GLN 83 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2kg5 n THR 84 N -0.57 0.00 0.00 5.09 5.66 -0.78 -3.67 114.28 120.01 2kg5 n THR 84 Ca 0.02 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 2kg5 n THR 84 Cb 0.01 -0.59 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 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 1.61 2.39 2.39 1.09 0.00 -1.25 -4.61 105.19 106.82 2kg5 n GLY 85 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2kg5 n GLY 85 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kg5 n THR 86 N -0.22 1.97 -3.73 2.61 5.66 -1.24 -4.63 114.28 114.69 2kg5 n THR 86 Ca 0.00 -3.73 -0.10 0.00 -3.05 0.00 0.00 64.05 57.17 2kg5 n THR 86 Cb 0.00 -0.15 -0.05 0.00 -1.55 0.00 0.00 70.33 68.58 2kg5 n THR 86 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2kg5 s GLU 87 N -3.64 1.05 0.13 1.09 -1.05 -1.26 -5.07 118.70 109.95 2kg5 s GLU 87 Ca 0.41 -0.83 -0.27 0.00 -0.15 0.00 0.00 54.97 54.13 2kg5 s GLU 87 Cb 0.38 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.46 2kg5 s GLU 87 CO -0.01 -0.40 1.60 0.93 0.95 0.00 0.00 175.26 178.34 2kg5 h GLU 88 N 2.46 -0.44 0.00 -4.83 4.39 -2.00 -3.48 114.58 110.68 2kg5 h GLU 88 Ca -0.33 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2kg5 h GLU 88 Cb 1.24 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2kg5 h GLU 88 CO 0.48 -0.29 0.00 0.41 -1.16 0.00 0.00 179.01 178.45 2kg5 n GLY 89 N -1.42 0.70 3.64 -3.84 0.00 -1.26 -5.10 105.19 97.91 2kg5 n GLY 89 Ca -0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 2kg5 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kg5 s SER 90 N -0.83 -0.36 -0.08 1.61 1.04 -1.26 -5.08 113.70 108.73 2kg5 s SER 90 Ca 0.00 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 57.09 2kg5 s SER 90 Cb 0.00 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 2kg5 s SER 90 CO 0.00 -0.13 -0.10 -0.11 0.98 0.00 0.00 173.24 173.88 2kg5 n LEU 91 N 2.04 0.58 -3.61 2.42 7.94 -1.26 -5.13 117.00 119.98 2kg5 n LEU 91 Ca -0.12 0.09 -0.04 0.00 -1.11 0.00 0.00 56.01 54.84 2kg5 n LEU 91 Cb 0.56 -0.23 -0.02 0.00 0.53 0.00 0.00 43.42 44.26 2kg5 n LEU 91 CO 0.02 0.17 1.06 -1.81 -1.11 0.00 0.00 177.39 175.72 2kg5 s ASP 92 N -5.68 -0.10 1.03 1.96 1.11 -1.26 -5.18 116.67 108.56 2kg5 s ASP 92 Ca -0.11 0.00 -0.13 0.00 0.18 0.00 0.00 52.55 52.50 2kg5 s ASP 92 Cb 0.04 0.10 0.20 0.00 1.07 0.00 0.00 42.92 44.34 2kg5 s ASP 92 CO 0.14 -0.17 1.09 -2.16 1.18 0.00 0.00 175.17 175.25 2kg5 s PRO 93 N -2.27 0.19 -0.05 8.23 0.04 -1.26 -5.08 135.00 134.80 2kg5 s PRO 93 Ca 0.10 0.45 -0.02 0.00 0.04 0.00 0.00 61.00 61.57 2kg5 s PRO 93 Cb -0.01 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.85 2kg5 s PRO 93 CO -0.04 -2.88 0.11 0.15 0.04 0.00 0.00 177.00 174.38 2kg5 s LYS 94 N -4.99 0.03 -0.25 4.56 1.02 -1.26 -5.00 119.74 113.85 2kg5 s LYS 94 Ca 0.66 0.36 -0.02 0.00 0.02 0.00 0.00 55.97 56.99 2kg5 s LYS 94 Cb -0.18 -0.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.89 2kg5 s LYS 94 CO 0.58 -0.21 0.04 0.43 -0.92 0.00 0.00 175.35 175.27 2kg5 n SER 95 N 4.52 -6.70 -4.24 2.83 7.64 -1.26 -5.04 113.62 111.36 2kg5 n SER 95 Ca -0.21 1.31 -0.25 0.00 1.01 0.00 0.00 58.87 60.73 2kg5 n SER 95 Cb 0.51 -4.85 -0.14 0.00 -1.01 0.00 0.00 64.21 58.72 2kg5 n SER 95 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kg5 s ASP 96 N -1.38 2.43 -0.30 6.43 -4.77 -1.26 -5.12 116.67 112.69 2kg5 s ASP 96 Ca -0.05 -0.50 -0.17 0.00 -3.30 0.00 0.00 52.55 48.53 2kg5 s ASP 96 Cb 0.00 -0.21 0.19 0.00 -1.09 0.00 0.00 42.92 41.82 2kg5 s ASP 96 CO 0.69 0.16 1.19 -0.94 0.70 0.00 0.00 175.17 176.97 2kg5 s SER 97 N -1.10 -0.20 0.08 2.11 1.04 -1.26 -5.18 113.70 109.19 2kg5 s SER 97 Ca 0.07 0.29 -0.26 0.00 0.48 0.00 0.00 55.95 56.54 2kg5 s SER 97 Cb -0.09 1.16 0.08 0.00 0.10 0.00 0.00 66.02 67.27 2kg5 s SER 97 CO 0.01 -0.04 0.69 0.00 0.98 0.00 0.00 173.24 174.89 2kg5 s ALA 98 N 1.62 -1.69 -1.36 5.32 0.00 -1.26 -4.94 121.76 119.45 2kg5 s ALA 98 Ca -0.05 0.75 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 2kg5 s ALA 98 Cb -0.02 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.74 2kg5 s ALA 98 CO -0.14 -0.69 0.37 -1.33 0.00 0.00 0.00 175.76 173.97 2kg5 n MET 99 N -0.17 -3.45 0.00 0.00 2.81 -1.26 -5.37 117.12 109.68 2kg5 n MET 99 Ca -0.15 0.69 0.04 0.00 -1.81 0.00 0.00 57.70 56.47 2kg5 n MET 99 Cb 0.63 -5.42 0.25 0.00 -0.71 0.00 0.00 33.22 27.98 2kg5 n MET 99 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87