#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 -0.67 -1.40 1.56 -1.26 -5.06 117.12 112.17 2kg5 n MET 21 Ca 0.00 -3.31 -0.32 0.00 -0.27 0.00 0.00 57.70 53.80 2kg5 n MET 21 Cb 0.00 -1.79 0.17 0.00 2.15 0.00 0.00 33.22 33.75 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 -1.09 -3.34 -2.33 -5.12 0.00 -1.26 -4.88 120.51 102.49 2kg5 n ALA 22 Ca 0.30 -1.05 -0.27 0.00 0.00 0.00 0.00 53.44 52.41 2kg5 n ALA 22 Cb 0.91 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.33 3.45 1.03 0.00 0.00 -1.26 -5.01 121.76 117.64 2kg5 s ALA 23 Ca 0.59 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 2kg5 s ALA 23 Cb -0.17 -2.52 0.04 0.00 0.00 0.00 0.00 23.12 20.47 2kg5 s ALA 23 CO 0.66 -0.22 0.14 -0.35 0.00 0.00 0.00 175.76 175.99 2kg5 n PRO 24 N -1.98 -1.30 -0.08 0.00 -0.04 -1.26 -5.03 135.00 125.31 2kg5 n PRO 24 Ca -0.00 -0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.12 2kg5 n PRO 24 Cb 0.55 -0.21 -0.09 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.94 0.72 -1.61 0.54 10.64 -1.26 -4.60 117.38 119.86 2kg5 n GLN 25 Ca 0.02 0.08 -0.35 0.00 -1.83 0.00 0.00 57.00 54.92 2kg5 n GLN 25 Cb 0.08 -1.35 -0.04 0.00 -0.86 0.00 0.00 30.24 28.07 2kg5 n GLN 25 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2kg5 n ASP 26 N -2.91 7.70 -4.15 2.61 5.68 -1.26 -3.34 116.55 120.89 2kg5 n ASP 26 Ca -0.29 -2.92 -0.33 0.00 -0.50 0.00 0.00 54.79 50.74 2kg5 n ASP 26 Cb 0.86 -1.40 -0.16 0.00 -1.14 0.00 0.00 41.12 39.28 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2kg5 s LEU 27 N -1.27 2.41 0.21 -2.12 2.96 -1.26 -5.06 118.68 114.55 2kg5 s LEU 27 Ca 0.61 -0.68 -0.31 0.00 -0.22 0.00 0.00 54.13 53.52 2kg5 s LEU 27 Cb 0.23 -1.54 -0.15 0.00 0.50 0.00 0.00 46.19 45.23 2kg5 s LEU 27 CO -0.10 -0.03 1.11 -0.67 -1.32 0.00 0.00 176.35 175.35 2kg5 n ASP 28 N 4.63 1.32 0.34 3.68 -0.08 -1.26 -1.85 116.55 123.33 2kg5 n ASP 28 Ca -0.20 1.15 0.23 0.00 -1.51 0.00 0.00 54.79 54.46 2kg5 n ASP 28 Cb 0.49 -1.24 1.21 0.00 2.34 0.00 0.00 41.12 43.92 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 2.44 0.01 0.00 5.18 6.09 -0.73 -0.83 117.51 129.66 2kg5 h ILE 29 Ca -0.42 0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 62.85 2kg5 h ILE 29 Cb 1.34 0.98 -0.00 0.00 0.47 0.00 0.00 36.82 39.62 2kg5 h ILE 29 CO 0.67 0.00 -0.93 0.00 -3.07 0.00 0.00 178.15 174.82 2kg5 h ALA 30 N 1.97 0.40 0.00 0.18 0.00 -1.85 -2.85 119.26 117.11 2kg5 h ALA 30 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 2kg5 h ALA 30 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kg5 h ALA 30 CO -0.00 0.84 -0.34 0.28 0.00 0.00 0.00 179.25 180.03 2kg5 h VAL 31 N 0.20 0.72 0.06 0.00 2.07 -1.50 -1.53 116.25 116.28 2kg5 h VAL 31 Ca -0.07 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 2kg5 h VAL 31 Cb 1.56 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2kg5 h VAL 31 CO 0.16 0.34 -0.03 -0.25 0.02 0.00 0.00 177.57 177.80 2kg5 h TRP 32 N 0.00 -0.08 0.00 1.57 7.01 -1.48 -3.29 115.95 119.68 2kg5 h TRP 32 Ca -0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2kg5 h TRP 32 Cb 0.99 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 2kg5 h TRP 32 CO 0.00 0.51 -0.20 -0.07 -2.79 0.00 0.00 178.44 175.89 2kg5 h LEU 33 N -0.87 0.00 -2.15 0.65 3.38 -1.57 -2.67 115.31 112.08 2kg5 h LEU 33 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kg5 h LEU 33 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kg5 h LEU 33 CO 0.01 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2kg5 h ALA 34 N 1.80 1.00 0.00 1.53 0.00 -1.34 -1.00 119.26 121.25 2kg5 h ALA 34 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kg5 h ALA 34 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kg5 h ALA 34 CO 0.03 0.00 -0.25 1.79 0.00 0.00 0.00 179.25 180.82 2kg5 h THR 35 N 0.00 0.79 -0.22 0.00 1.35 -1.57 -2.73 112.91 110.53 2kg5 h THR 35 Ca 0.00 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2kg5 h THR 35 Cb 0.12 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2kg5 h THR 35 CO 0.00 0.24 0.00 1.33 -0.25 0.00 0.00 175.52 176.84 2kg5 n VAL 36 N -3.67 1.68 -3.36 6.82 0.24 -0.56 -4.97 118.33 114.52 2kg5 n VAL 36 Ca -0.01 -1.57 -0.19 0.00 -2.04 0.00 0.00 64.34 60.54 2kg5 n VAL 36 Cb 0.37 0.07 0.07 0.00 -1.47 0.00 0.00 33.84 32.87 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 -0.34 -2.27 -2.24 6.34 -0.00 -1.03 -4.91 115.22 110.76 2kg5 n HIS 37 Ca 0.15 0.82 0.03 0.00 -0.00 0.00 0.00 57.72 58.72 2kg5 n HIS 37 Cb 0.64 -4.34 0.02 0.00 -0.00 0.00 0.00 29.99 26.31 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 -4.09 0.74 0.24 0.27 4.77 -0.49 -4.85 117.00 113.59 2kg5 n LEU 38 Ca -0.03 -1.74 0.18 0.00 -0.03 0.00 0.00 56.01 54.38 2kg5 n LEU 38 Cb 0.56 -0.03 0.88 0.00 -2.33 0.00 0.00 43.42 42.50 2kg5 n LEU 38 CO 0.53 0.45 1.15 1.05 -1.33 0.00 0.00 177.39 179.24 2kg5 h GLU 39 N 0.61 0.00 -0.12 3.23 4.11 -1.78 -0.10 114.58 120.53 2kg5 h GLU 39 Ca -0.13 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.33 2kg5 h GLU 39 Cb 1.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 2kg5 h GLU 39 CO 0.06 0.00 0.14 -0.56 0.07 0.00 0.00 179.01 178.71 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 -0.00 -1.90 0.27 115.11 114.53 2kg5 h GLN 40 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 2kg5 h GLN 40 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 2kg5 h GLN 40 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.49 2kg5 n TYR 41 N -3.80 0.00 0.29 0.06 4.01 -0.05 -3.04 117.16 114.62 2kg5 n TYR 41 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 2kg5 n TYR 41 Cb 0.24 -0.45 0.85 0.00 -0.31 0.00 0.00 39.34 39.67 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 2.77 1.52 0.13 -0.72 0.00 -0.63 -2.76 119.26 119.56 2kg5 h ALA 42 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kg5 h ALA 42 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kg5 h ALA 42 CO 0.00 0.04 -0.07 0.22 0.00 0.00 0.00 179.25 179.44 2kg5 h ASP 43 N 0.00 -0.16 -0.70 0.00 3.58 -1.74 0.25 116.42 117.66 2kg5 h ASP 43 Ca -0.00 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.62 2kg5 h ASP 43 Cb 0.08 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 2kg5 h ASP 43 CO 0.00 -0.11 0.48 0.00 -2.88 0.00 0.00 179.24 176.74 2kg5 h THR 44 N -0.18 0.73 0.25 2.25 1.03 -1.80 -1.67 112.91 113.52 2kg5 h THR 44 Ca -0.02 -0.07 -0.01 0.00 -0.01 0.00 0.00 66.41 66.30 2kg5 h THR 44 Cb 0.14 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 67.73 2kg5 h THR 44 CO 0.03 0.04 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.19 2kg5 h PHE 45 N 0.21 -0.31 -0.57 0.00 -1.00 -1.31 -2.30 116.94 111.66 2kg5 h PHE 45 Ca 0.34 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.16 2kg5 h PHE 45 Cb 1.04 0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.66 2kg5 h PHE 45 CO -0.00 -0.03 0.31 0.00 -1.61 0.00 0.00 178.31 176.98 2kg5 h ARG 46 N -0.57 0.58 0.00 1.51 3.08 -0.08 0.42 114.38 119.32 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 0.42 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2kg5 h ARG 46 CO 0.06 0.38 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 -1.31 -0.07 114.38 123.28 2kg5 h ARG 47 Ca 0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 2kg5 h ARG 47 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2kg5 h ARG 47 CO -0.15 0.00 -0.18 1.58 2.80 0.00 0.00 179.97 184.02 2kg5 n HIS 48 N -2.45 0.00 -0.00 2.20 -0.00 0.12 -4.90 115.22 110.19 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 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 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 1.00 2.52 1.57 0.00 -0.04 -5.06 105.19 106.53 2kg5 n GLY 49 Ca 0.12 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 1.06 -0.05 0.99 2.34 -1.08 -4.95 118.68 116.99 2kg5 s LEU 50 Ca 0.00 -1.92 0.20 0.00 0.06 0.00 0.00 54.13 52.47 2kg5 s LEU 50 Cb 0.00 -0.46 0.68 0.00 -0.56 0.00 0.00 46.19 45.85 2kg5 s LEU 50 CO 0.00 -0.35 1.58 0.00 -1.06 0.00 0.00 176.35 176.52 2kg5 n ALA 51 N 4.41 2.73 -3.01 1.48 0.00 -1.26 -3.03 120.51 121.83 2kg5 n ALA 51 Ca 0.06 -1.42 -0.11 0.00 0.00 0.00 0.00 53.44 51.96 2kg5 n ALA 51 Cb 0.39 -0.98 -0.09 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 -1.42 0.09 0.31 0.00 -4.23 -1.26 -0.01 115.64 109.13 2kg5 s THR 52 Ca 0.50 -0.78 0.36 0.00 -1.18 0.00 0.00 61.69 60.59 2kg5 s THR 52 Cb 0.29 -0.58 0.37 0.00 1.34 0.00 0.00 72.50 73.91 2kg5 s THR 52 CO 0.29 -0.43 2.10 0.00 -0.54 0.00 0.00 174.62 176.05 2kg5 h ALA 53 N 4.03 1.00 0.00 3.99 0.00 -1.57 -0.93 119.26 125.79 2kg5 h ALA 53 Ca -0.31 0.00 -0.12 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 0.43 0.00 -0.84 0.78 0.00 0.00 0.00 179.25 179.62 2kg5 h GLY 54 N 0.29 0.00 0.16 0.00 0.00 -1.80 -2.35 103.07 99.37 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 -0.49 0.00 0.00 0.00 0.00 176.54 176.05 2kg5 n ALA 55 N -2.28 3.59 0.08 3.60 0.00 -0.40 -4.04 120.51 121.06 2kg5 n ALA 55 Ca -0.02 -0.47 0.06 0.00 0.00 0.00 0.00 53.44 53.01 2kg5 n ALA 55 Cb 0.76 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.90 2.60 -1.49 0.00 0.00 -0.90 -4.73 120.51 115.09 2kg5 n ALA 56 Ca 0.08 -0.29 -0.44 0.00 0.00 0.00 0.00 53.44 52.80 2kg5 n ALA 56 Cb 0.37 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.82 0.74 0.00 0.00 1.74 -0.89 -1.75 116.66 114.68 2kg5 n ARG 57 Ca -0.02 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2kg5 n ARG 57 Cb 0.29 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.25 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 6.39 1.08 3.58 -0.13 0.00 -1.26 -5.05 105.19 109.79 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 2.25 -4.75 0.99 4.77 -0.72 -5.01 117.00 114.54 2kg5 n LEU 59 Ca 0.00 0.99 -0.32 0.00 -0.03 0.00 0.00 56.01 56.64 2kg5 n LEU 59 Cb 0.00 -1.31 -0.08 0.00 -2.33 0.00 0.00 43.42 39.70 2kg5 n LEU 59 CO 0.00 -1.78 -0.25 -0.83 -1.33 0.00 0.00 177.39 173.20 2kg5 s GLY 60 N -0.83 2.96 0.16 -0.72 0.00 -1.26 -4.97 107.32 102.65 2kg5 s GLY 60 Ca 0.65 -0.60 -0.16 0.00 0.00 0.00 0.00 44.72 44.61 2kg5 s GLY 60 CO 0.56 -2.18 1.80 0.45 0.00 0.00 0.00 173.10 173.72 2kg5 h HIS 61 N 1.37 0.43 0.00 1.90 3.86 -1.97 0.28 115.15 121.03 2kg5 h HIS 61 Ca -0.44 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 58.73 2kg5 h HIS 61 Cb 1.31 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 2kg5 h HIS 61 CO 1.43 0.25 -0.28 0.93 0.86 0.00 0.00 177.93 181.12 2kg5 h GLU 62 N 0.47 0.00 0.11 2.45 4.39 -2.00 -2.21 114.58 117.79 2kg5 h GLU 62 Ca 0.15 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.58 2kg5 h GLU 62 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2kg5 h GLU 62 CO -0.07 0.28 -1.20 0.93 -1.16 0.00 0.00 179.01 177.79 2kg5 h GLU 63 N 0.00 0.41 0.00 2.33 4.39 -1.74 -3.25 114.58 116.73 2kg5 h GLU 63 Ca -0.00 -0.60 -0.07 0.00 0.34 0.00 0.00 59.36 59.03 2kg5 h GLU 63 Cb 0.51 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2kg5 h GLU 63 CO 0.04 1.25 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.72 2kg5 h LEU 64 N 0.16 0.00 -0.66 1.33 4.07 -0.18 -2.24 115.31 117.78 2kg5 h LEU 64 Ca -0.15 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.76 2kg5 h LEU 64 Cb 1.89 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.60 2kg5 h LEU 64 CO 0.21 0.35 0.21 0.11 -1.08 0.00 0.00 178.44 178.25 2kg5 h LYS 65 N 0.00 1.02 0.00 1.13 1.57 -1.44 -2.30 116.57 116.56 2kg5 h LYS 65 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2kg5 h LYS 65 Cb 0.68 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2kg5 h LYS 65 CO 0.05 0.89 -0.17 0.94 -0.57 0.00 0.00 179.45 180.58 2kg5 n GLN 66 N -4.35 0.14 0.24 3.15 0.00 -1.10 -3.40 117.38 112.06 2kg5 n GLN 66 Ca 0.04 0.09 0.12 0.00 -0.00 0.00 0.00 57.00 57.25 2kg5 n GLN 66 Cb 0.21 -1.64 0.51 0.00 0.00 0.00 0.00 30.24 29.32 2kg5 n GLN 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2kg5 h LEU 67 N 0.00 0.00 0.00 1.69 3.38 -0.83 -3.46 115.31 116.10 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 0.13 1.50 3.41 0.83 0.00 -1.20 -4.93 105.19 104.93 2kg5 n GLY 68 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.77 4.46 -0.07 -0.61 1.01 -1.12 -4.92 121.20 118.18 2kg5 s ILE 69 Ca 0.00 -0.52 0.15 0.00 0.00 0.00 0.00 60.65 60.28 2kg5 s ILE 69 Cb 0.00 -3.30 -0.23 0.00 0.01 0.00 0.00 42.46 38.94 2kg5 s ILE 69 CO 0.00 0.04 0.24 -1.54 0.00 0.00 0.00 174.94 173.69 2kg5 n SER 70 N 4.96 1.31 -4.55 3.58 3.41 -1.26 -4.38 113.62 116.68 2kg5 n SER 70 Ca -0.14 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.08 2kg5 n SER 70 Cb 0.49 1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 65.82 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kg5 s ALA 71 N -2.84 2.38 0.15 7.33 0.00 -1.26 -4.87 121.76 122.64 2kg5 s ALA 71 Ca -0.06 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 2kg5 s ALA 71 Cb 0.08 -4.29 0.03 0.00 0.00 0.00 0.00 23.12 18.94 2kg5 s ALA 71 CO 0.65 -3.68 1.63 1.15 0.00 0.00 0.00 175.76 175.51 2kg5 h THR 72 N 6.59 0.40 -0.77 0.00 2.02 -1.99 0.10 112.91 119.26 2kg5 h THR 72 Ca -0.27 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.14 2kg5 h THR 72 Cb 1.12 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2kg5 h THR 72 CO 1.24 0.00 0.57 1.23 0.37 0.00 0.00 175.52 178.92 2kg5 h GLY 73 N -0.24 0.00 0.47 2.16 0.00 -1.99 -0.63 103.07 102.83 2kg5 h GLY 73 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 2kg5 h GLY 73 CO -0.38 0.00 -0.79 0.45 0.00 0.00 0.00 176.54 175.82 2kg5 h HIS 74 N 0.00 0.37 -0.19 5.60 -0.00 -1.33 -3.13 115.15 116.47 2kg5 h HIS 74 Ca 0.36 -0.27 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 2kg5 h HIS 74 Cb 1.49 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.85 2kg5 h HIS 74 CO 0.00 1.30 -0.05 -0.09 -0.00 0.00 0.00 177.93 179.10 2kg5 h ARG 75 N -0.54 -0.00 0.00 2.45 2.43 0.25 0.04 114.38 119.02 2kg5 h ARG 75 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2kg5 h ARG 75 Cb 1.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2kg5 h ARG 75 CO 0.08 -0.00 0.00 0.87 -1.51 0.00 0.00 179.97 179.41 2kg5 h LYS 76 N -0.00 0.00 0.00 0.20 1.57 -1.32 -1.80 116.57 115.22 2kg5 h LYS 76 Ca 0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 2kg5 h LYS 76 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2kg5 h LYS 76 CO -0.20 0.00 -0.62 -0.09 -0.57 0.00 0.00 179.45 177.98 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -0.93 -2.77 114.38 116.25 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 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2kg5 h ARG 77 CO 0.00 0.62 -0.30 0.82 -1.51 0.00 0.00 179.97 179.60 2kg5 h ILE 78 N 0.00 0.62 -0.75 1.20 5.03 -0.94 -3.33 117.51 119.34 2kg5 h ILE 78 Ca -0.01 -1.54 0.13 0.00 -0.12 0.00 0.00 64.86 63.32 2kg5 h ILE 78 Cb 1.35 1.25 -0.05 0.00 -3.03 0.00 0.00 36.82 36.34 2kg5 h ILE 78 CO 0.08 0.21 0.50 -0.07 -0.68 0.00 0.00 178.15 178.19 2kg5 h LEU 79 N -1.00 0.46 -2.47 1.44 3.38 -1.63 0.27 115.31 115.76 2kg5 h LEU 79 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2kg5 h LEU 79 Cb 0.57 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kg5 h LEU 79 CO -0.03 0.25 -0.02 -0.09 0.09 0.00 0.00 178.44 178.64 2kg5 h ARG 80 N 0.50 0.00 0.01 1.13 2.43 -1.63 -2.00 114.38 114.82 2kg5 h ARG 80 Ca 0.36 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.20 2kg5 h ARG 80 Cb 0.71 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 2kg5 h ARG 80 CO -0.12 0.02 -1.99 -0.11 -1.51 0.00 0.00 179.97 176.26 2kg5 n LEU 81 N -3.37 0.80 0.15 3.80 7.94 0.86 -4.16 117.00 123.02 2kg5 n LEU 81 Ca -0.02 0.24 0.02 0.00 -1.11 0.00 0.00 56.01 55.14 2kg5 n LEU 81 Cb 0.14 0.14 0.36 0.00 0.53 0.00 0.00 43.42 44.59 2kg5 n LEU 81 CO 0.25 0.48 0.79 0.25 -1.11 0.00 0.00 177.39 178.05 2kg5 h LEU 82 N 0.01 0.13 -2.68 -1.96 6.46 -0.62 -2.21 115.31 114.43 2kg5 h LEU 82 Ca -0.40 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2kg5 h LEU 82 Cb 2.09 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.99 2kg5 h LEU 82 CO 0.06 0.40 0.06 1.56 -0.62 0.00 0.00 178.44 179.90 2kg5 h GLN 83 N 0.12 0.00 -6.54 1.25 4.20 -1.58 -3.44 115.11 109.12 2kg5 h GLN 83 Ca 0.02 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.16 2kg5 h GLN 83 Cb 0.54 0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.51 2kg5 h GLN 83 CO 0.04 0.00 -0.56 -2.37 -0.67 0.00 0.00 178.83 175.27 2kg5 n THR 84 N -2.97 1.51 0.00 -0.54 5.66 -0.83 -3.59 114.28 113.52 2kg5 n THR 84 Ca -0.03 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 2kg5 n THR 84 Cb 0.12 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 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 1.85 2.12 0.09 1.09 0.00 -1.26 -4.83 105.19 104.24 2kg5 n GLY 85 Ca 0.09 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2kg5 n GLY 85 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kg5 n THR 86 N 0.00 1.11 -3.57 2.61 -2.24 -1.24 -4.75 114.28 106.20 2kg5 n THR 86 Ca 0.00 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 2kg5 n THR 86 Cb 0.00 -1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 67.17 2kg5 n THR 86 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kg5 s GLU 87 N -2.39 0.85 0.01 -0.78 -1.05 -1.26 -5.08 118.70 109.00 2kg5 s GLU 87 Ca -0.20 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 2kg5 s GLU 87 Cb 0.06 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 2kg5 s GLU 87 CO 0.52 -0.21 0.00 -1.91 0.95 0.00 0.00 175.26 174.61 2kg5 n GLU 88 N 1.54 0.00 -3.71 -4.83 2.13 -1.26 -4.52 120.64 109.99 2kg5 n GLU 88 Ca -0.15 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.44 2kg5 n GLU 88 Cb 0.56 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.31 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kg5 n GLY 89 N -1.46 -0.33 3.24 8.31 0.00 -1.26 -4.97 105.19 108.73 2kg5 n GLY 89 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.21 -0.30 -0.24 1.61 1.04 -1.26 -5.06 113.70 105.28 2kg5 s SER 90 Ca 0.10 0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.78 2kg5 s SER 90 Cb -0.05 1.32 -0.17 0.00 0.10 0.00 0.00 66.02 67.22 2kg5 s SER 90 CO 0.81 -0.06 -0.12 -0.11 0.98 0.00 0.00 173.24 174.74 2kg5 n LEU 91 N 4.91 2.32 -3.16 2.42 7.94 -1.26 -5.05 117.00 125.13 2kg5 n LEU 91 Ca -0.08 0.20 -0.08 0.00 -1.11 0.00 0.00 56.01 54.95 2kg5 n LEU 91 Cb 0.54 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.58 2kg5 n LEU 91 CO -0.06 0.66 0.16 0.47 -1.11 0.00 0.00 177.39 177.51 2kg5 n ASP 92 N -3.90 -7.26 -0.05 1.96 9.92 -1.26 -4.94 116.55 111.02 2kg5 n ASP 92 Ca -0.45 -0.09 -0.13 0.00 -0.53 0.00 0.00 54.79 53.59 2kg5 n ASP 92 Cb 0.90 -4.57 -0.07 0.00 -0.64 0.00 0.00 41.12 36.74 2kg5 n ASP 92 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2kg5 h PRO 93 N 0.74 0.35 -4.16 -0.24 0.13 -2.03 -3.42 132.00 123.38 2kg5 h PRO 93 Ca -0.13 -0.18 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 2kg5 h PRO 93 Cb 1.08 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.83 2kg5 h PRO 93 CO 0.29 0.74 -0.77 0.21 -0.23 0.00 0.00 178.00 178.23 2kg5 s LYS 94 N -4.31 1.35 -0.02 0.86 2.47 -1.26 -5.01 119.74 113.82 2kg5 s LYS 94 Ca -0.14 -0.97 -0.02 0.00 -1.56 0.00 0.00 55.97 53.28 2kg5 s LYS 94 Cb 0.05 -2.49 -0.01 0.00 -1.46 0.00 0.00 37.83 33.93 2kg5 s LYS 94 CO 0.75 -0.67 -0.03 0.43 0.16 0.00 0.00 175.35 175.99 2kg5 n SER 95 N 4.72 0.20 -0.22 1.43 7.64 -1.26 -5.07 113.62 121.07 2kg5 n SER 95 Ca -0.09 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2kg5 n SER 95 Cb 0.44 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2kg5 n SER 95 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kg5 n ASP 96 N -2.65 -1.64 0.20 6.43 5.68 -1.26 -4.96 116.55 118.34 2kg5 n ASP 96 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 2kg5 n ASP 96 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 2kg5 n ASP 96 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2kg5 n SER 97 N -3.67 -3.24 -3.64 -1.12 2.88 -1.26 -5.14 113.62 98.43 2kg5 n SER 97 Ca 0.00 0.74 -0.06 0.00 -1.33 0.00 0.00 58.87 58.22 2kg5 n SER 97 Cb 0.00 3.09 -0.07 0.00 -0.75 0.00 0.00 64.21 66.48 2kg5 n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 s ALA 98 N -1.85 -1.95 -0.30 -1.46 0.00 -1.26 -5.13 121.76 109.82 2kg5 s ALA 98 Ca 0.00 2.39 -0.03 0.00 0.00 0.00 0.00 51.96 54.32 2kg5 s ALA 98 Cb 0.00 -1.49 0.11 0.00 0.00 0.00 0.00 23.12 21.74 2kg5 s ALA 98 CO 0.00 -0.40 0.16 -1.64 0.00 0.00 0.00 175.76 173.88 2kg5 s MET 99 N 1.65 0.24 0.00 0.00 -1.94 -1.26 -5.32 119.30 112.68 2kg5 s MET 99 Ca -0.10 -0.54 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 2kg5 s MET 99 Cb -0.05 -1.09 0.00 0.00 2.01 0.00 0.00 34.83 35.70 2kg5 s MET 99 CO -0.19 -1.04 0.00 -1.91 -0.01 0.00 0.00 175.02 171.87