#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg5 s MET 21 N 0.00 3.69 0.98 -1.40 0.23 -1.26 -4.97 119.30 116.57 2kg5 s MET 21 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 55.69 54.72 2kg5 s MET 21 Cb 0.00 -2.73 0.00 0.00 -1.53 0.00 0.00 34.83 30.57 2kg5 s MET 21 CO 0.00 0.36 0.00 0.00 -2.03 0.00 0.00 175.02 173.35 2kg5 n ALA 22 N -0.21 -1.46 -2.56 3.16 0.00 -1.26 -4.89 120.51 113.29 2kg5 n ALA 22 Ca -0.01 0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 2kg5 n ALA 22 Cb 0.52 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.84 2.95 0.78 0.00 0.00 -1.26 -5.13 121.76 117.25 2kg5 s ALA 23 Ca 0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 51.96 50.14 2kg5 s ALA 23 Cb 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.62 2kg5 s ALA 23 CO 0.00 0.31 1.09 -1.25 0.00 0.00 0.00 175.76 175.91 2kg5 s PRO 24 N -3.44 2.23 0.40 0.00 0.04 -1.26 -4.94 135.00 128.03 2kg5 s PRO 24 Ca 0.29 1.17 0.11 0.00 0.04 0.00 0.00 61.00 62.61 2kg5 s PRO 24 Cb -0.06 -1.89 0.85 0.00 0.04 0.00 0.00 34.50 33.43 2kg5 s PRO 24 CO 0.17 -1.66 1.94 -0.56 0.04 0.00 0.00 177.00 176.93 2kg5 h GLN 25 N -1.14 0.18 -1.75 4.56 3.07 -1.99 -2.81 115.11 115.23 2kg5 h GLN 25 Ca -0.44 -0.04 -0.47 0.00 0.09 0.00 0.00 58.65 57.79 2kg5 h GLN 25 Cb 1.23 -0.03 -0.18 0.00 0.08 0.00 0.00 27.48 28.59 2kg5 h GLN 25 CO 0.51 0.32 0.49 -3.47 0.09 0.00 0.00 178.83 176.77 2kg5 n ASP 26 N -4.30 6.65 -4.54 0.06 -0.08 -1.26 -3.17 116.55 109.91 2kg5 n ASP 26 Ca -0.01 -3.25 -0.38 0.00 -1.51 0.00 0.00 54.79 49.64 2kg5 n ASP 26 Cb 0.25 -1.14 -0.11 0.00 2.34 0.00 0.00 41.12 42.46 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2kg5 s LEU 27 N -2.32 4.03 0.16 -2.67 2.96 -1.06 -5.03 118.68 114.74 2kg5 s LEU 27 Ca 0.49 -0.16 -0.33 0.00 -0.22 0.00 0.00 54.13 53.92 2kg5 s LEU 27 Cb 0.35 -2.08 -0.16 0.00 0.50 0.00 0.00 46.19 44.80 2kg5 s LEU 27 CO -0.14 -0.09 1.11 -0.67 -1.32 0.00 0.00 176.35 175.24 2kg5 n ASP 28 N 5.04 1.04 0.34 3.68 2.03 -1.26 -1.77 116.55 125.64 2kg5 n ASP 28 Ca -0.14 1.14 0.22 0.00 0.52 0.00 0.00 54.79 56.53 2kg5 n ASP 28 Cb 0.51 -1.17 1.16 0.00 -0.72 0.00 0.00 41.12 40.90 2kg5 n ASP 28 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2kg5 h ILE 29 N 2.60 0.02 -0.02 5.18 6.09 -0.76 -0.68 117.51 129.94 2kg5 h ILE 29 Ca -0.43 0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 62.84 2kg5 h ILE 29 Cb 1.36 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.60 2kg5 h ILE 29 CO 0.69 0.00 -0.89 0.00 -3.07 0.00 0.00 178.15 174.88 2kg5 h ALA 30 N 1.90 0.41 0.00 0.18 0.00 -1.85 -2.82 119.26 117.08 2kg5 h ALA 30 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2kg5 h ALA 30 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kg5 h ALA 30 CO -0.00 0.80 -0.34 0.28 0.00 0.00 0.00 179.25 179.99 2kg5 h VAL 31 N 0.25 0.72 0.05 0.00 2.07 -1.47 -1.36 116.25 116.51 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 1.52 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2kg5 h VAL 31 CO 0.16 0.34 -0.02 -0.25 0.02 0.00 0.00 177.57 177.81 2kg5 h TRP 32 N 0.00 -0.06 0.00 1.57 7.01 -1.47 -3.29 115.95 119.72 2kg5 h TRP 32 Ca -0.00 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2kg5 h TRP 32 Cb 0.99 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 2kg5 h TRP 32 CO 0.00 0.58 -0.23 -0.07 -2.79 0.00 0.00 178.44 175.94 2kg5 h LEU 33 N -0.82 0.00 -2.20 0.65 3.38 -1.56 -2.82 115.31 111.93 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 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kg5 h LEU 33 CO 0.01 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.77 2kg5 h ALA 34 N 1.77 1.00 0.00 1.53 0.00 -1.31 -0.85 119.26 121.41 2kg5 h ALA 34 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 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 0.03 0.00 -0.26 1.79 0.00 0.00 0.00 179.25 180.81 2kg5 h THR 35 N 0.00 0.81 -0.23 0.00 1.35 -1.58 -2.74 112.91 110.52 2kg5 h THR 35 Ca 0.00 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2kg5 h THR 35 Cb 0.13 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2kg5 h THR 35 CO 0.00 0.25 0.00 1.33 -0.25 0.00 0.00 175.52 176.85 2kg5 n VAL 36 N -3.69 1.69 -3.36 6.82 0.24 -0.57 -4.96 118.33 114.50 2kg5 n VAL 36 Ca -0.01 -1.56 -0.19 0.00 -2.04 0.00 0.00 64.34 60.54 2kg5 n VAL 36 Cb 0.37 0.06 0.07 0.00 -1.47 0.00 0.00 33.84 32.88 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 -0.31 -2.27 -2.22 6.34 -0.00 -1.04 -4.91 115.22 110.81 2kg5 n HIS 37 Ca 0.15 0.82 0.03 0.00 -0.00 0.00 0.00 57.72 58.73 2kg5 n HIS 37 Cb 0.65 -4.36 0.02 0.00 -0.00 0.00 0.00 29.99 26.30 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 0.73 0.25 0.27 4.77 -0.43 -4.85 117.00 113.64 2kg5 n LEU 38 Ca -0.04 -1.73 0.18 0.00 -0.03 0.00 0.00 56.01 54.40 2kg5 n LEU 38 Cb 0.57 -0.04 0.90 0.00 -2.33 0.00 0.00 43.42 42.52 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 0.58 0.00 -0.13 3.23 4.11 -1.78 -0.18 114.58 120.42 2kg5 h GLU 39 Ca -0.12 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.34 2kg5 h GLU 39 Cb 1.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 2kg5 h GLU 39 CO 0.05 0.00 0.15 -0.56 0.07 0.00 0.00 179.01 178.72 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.91 0.28 115.11 117.61 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 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 -3.78 0.00 0.28 0.06 4.01 -0.08 -3.10 117.16 114.55 2kg5 n TYR 41 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 2kg5 n TYR 41 Cb 0.26 -0.47 0.83 0.00 -0.31 0.00 0.00 39.34 39.65 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 1.68 0.06 -0.72 0.00 -0.61 -2.62 119.26 119.82 2kg5 h ALA 42 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kg5 h ALA 42 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kg5 h ALA 42 CO 0.00 -0.01 -0.03 0.22 0.00 0.00 0.00 179.25 179.43 2kg5 h ASP 43 N 0.00 -0.07 -0.72 0.00 3.58 -1.74 0.11 116.42 117.58 2kg5 h ASP 43 Ca 0.00 0.00 0.18 0.00 0.42 0.00 0.00 57.03 57.64 2kg5 h ASP 43 Cb 0.02 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 2kg5 h ASP 43 CO -0.00 -0.05 0.50 0.00 -2.88 0.00 0.00 179.24 176.82 2kg5 h THR 44 N -0.08 0.70 0.25 2.25 1.03 -1.80 -1.57 112.91 113.70 2kg5 h THR 44 Ca -0.01 -0.06 -0.01 0.00 -0.01 0.00 0.00 66.41 66.32 2kg5 h THR 44 Cb 0.06 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 67.66 2kg5 h THR 44 CO 0.01 0.03 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.17 2kg5 h PHE 45 N 0.16 -0.31 -0.53 0.00 -1.00 -1.29 -2.22 116.94 111.75 2kg5 h PHE 45 Ca 0.35 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.17 2kg5 h PHE 45 Cb 1.15 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.77 2kg5 h PHE 45 CO -0.00 -0.03 0.29 0.00 -1.61 0.00 0.00 178.31 176.96 2kg5 h ARG 46 N -0.57 0.54 0.00 1.51 3.08 -0.03 0.27 114.38 119.19 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 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2kg5 h ARG 46 CO 0.06 0.36 0.00 -0.09 -1.07 0.00 0.00 179.97 179.22 2kg5 h ARG 47 N 0.56 0.00 -0.00 0.04 9.65 -1.32 -0.16 114.38 123.14 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 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2kg5 h ARG 47 CO -0.14 0.00 -0.18 0.72 2.80 0.00 0.00 179.97 183.16 2kg5 n HIS 48 N -2.37 0.00 -0.05 2.20 8.25 0.06 -4.90 115.22 118.41 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 0.13 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 1.33 0.97 2.50 -1.41 0.00 -0.07 -5.06 105.19 103.45 2kg5 n GLY 49 Ca 0.12 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 0.84 -0.06 0.99 2.34 -1.05 -4.94 118.68 116.79 2kg5 s LEU 50 Ca 0.00 -1.84 0.20 0.00 0.06 0.00 0.00 54.13 52.56 2kg5 s LEU 50 Cb 0.00 -0.39 0.70 0.00 -0.56 0.00 0.00 46.19 45.94 2kg5 s LEU 50 CO 0.00 -0.36 1.60 0.00 -1.06 0.00 0.00 176.35 176.53 2kg5 n ALA 51 N 4.51 2.77 -3.00 1.48 0.00 -1.26 -3.01 120.51 122.00 2kg5 n ALA 51 Ca 0.05 -1.47 -0.11 0.00 0.00 0.00 0.00 53.44 51.91 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 -1.46 0.10 0.65 0.00 -4.23 -1.26 -0.04 115.64 109.40 2kg5 s THR 52 Ca 0.51 -0.80 0.43 0.00 -1.18 0.00 0.00 61.69 60.64 2kg5 s THR 52 Cb 0.30 -0.59 0.44 0.00 1.34 0.00 0.00 72.50 73.99 2kg5 s THR 52 CO 0.29 -0.44 2.36 0.00 -0.54 0.00 0.00 174.62 176.29 2kg5 h ALA 53 N 4.04 1.06 0.00 3.99 0.00 -1.55 -1.02 119.26 125.79 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 0.44 0.00 -1.09 0.78 0.00 0.00 0.00 179.25 179.38 2kg5 h GLY 54 N 0.03 0.00 1.66 0.00 0.00 -1.81 -1.88 103.07 101.06 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 -0.26 0.00 0.00 0.00 0.00 176.54 176.28 2kg5 h ALA 55 N 1.13 0.83 0.00 3.60 0.00 -1.46 -3.27 119.26 120.09 2kg5 h ALA 55 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kg5 h ALA 55 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2kg5 h ALA 55 CO 0.10 0.00 -1.22 0.00 0.00 0.00 0.00 179.25 178.13 2kg5 n ALA 56 N -1.85 3.31 -1.53 0.00 0.00 -0.94 -4.78 120.51 114.72 2kg5 n ALA 56 Ca 0.04 -0.41 -0.53 0.00 0.00 0.00 0.00 53.44 52.55 2kg5 n ALA 56 Cb 0.45 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.70 1.16 0.00 0.00 5.12 -0.71 -1.66 116.66 118.87 2kg5 n ARG 57 Ca 0.00 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 2kg5 n ARG 57 Cb 0.33 -2.35 0.00 0.00 -1.16 0.00 0.00 32.46 29.28 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kg5 n GLY 58 N 5.80 1.14 3.68 -0.13 0.00 -1.26 -5.04 105.19 109.37 2kg5 n GLY 58 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 4.04 0.00 0.99 4.77 -0.66 -5.02 117.00 121.12 2kg5 n LEU 59 Ca 0.00 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 2kg5 n LEU 59 Cb 0.00 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.62 2kg5 n LEU 59 CO 0.00 -1.01 0.00 0.61 -1.33 0.00 0.00 177.39 175.66 2kg5 n GLY 60 N 0.96 5.64 0.33 -0.72 0.00 -1.26 -4.98 105.19 105.16 2kg5 n GLY 60 Ca 0.09 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 0.35 -0.73 -0.62 1.61 3.86 -1.96 -1.06 115.15 116.60 2kg5 h HIS 61 Ca 0.00 -0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.35 2kg5 h HIS 61 Cb 0.00 0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2kg5 h HIS 61 CO 0.00 -0.45 0.43 1.49 0.86 0.00 0.00 177.93 180.26 2kg5 h GLU 62 N -1.21 0.14 0.00 2.45 4.81 -2.01 0.17 114.58 118.93 2kg5 h GLU 62 Ca -0.08 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 2kg5 h GLU 62 Cb 0.61 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2kg5 h GLU 62 CO 0.13 0.09 -0.79 0.93 -0.73 0.00 0.00 179.01 178.64 2kg5 h GLU 63 N 0.14 0.00 0.00 1.92 4.39 -1.94 -3.13 114.58 115.96 2kg5 h GLU 63 Ca 0.30 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.94 2kg5 h GLU 63 Cb 0.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 2kg5 h GLU 63 CO -0.04 0.79 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.25 2kg5 h LEU 64 N 0.00 0.00 -0.55 1.33 3.38 0.71 -2.43 115.31 117.74 2kg5 h LEU 64 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2kg5 h LEU 64 Cb 1.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 2kg5 h LEU 64 CO 0.10 0.28 0.16 0.11 0.09 0.00 0.00 178.44 179.18 2kg5 h LYS 65 N 0.00 0.87 0.00 1.13 1.57 -1.41 -2.38 116.57 116.34 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 0.64 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kg5 h LYS 65 CO 0.04 0.79 -0.12 1.04 -0.57 0.00 0.00 179.45 180.63 2kg5 n GLN 66 N -4.44 0.15 0.24 3.15 6.02 -1.12 -3.34 117.38 118.05 2kg5 n GLN 66 Ca 0.02 0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 2kg5 n GLN 66 Cb 0.21 -1.66 0.50 0.00 1.02 0.00 0.00 30.24 30.31 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 -0.94 -3.46 115.31 115.37 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 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2kg5 n GLY 68 N 0.20 1.53 3.60 0.83 0.00 -1.20 -4.70 105.19 105.45 2kg5 n GLY 68 Ca 0.01 0.00 -0.34 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 -1.81 4.57 -0.02 -0.61 1.01 -1.08 -4.96 121.20 118.30 2kg5 s ILE 69 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2kg5 s ILE 69 Cb 0.00 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 2kg5 s ILE 69 CO 0.00 0.47 0.05 -1.20 0.00 0.00 0.00 174.94 174.26 2kg5 n SER 70 N 3.53 4.13 -4.69 3.58 7.64 -1.26 -4.36 113.62 122.19 2kg5 n SER 70 Ca -0.17 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.29 2kg5 n SER 70 Cb 0.52 0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 64.62 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 -2.19 3.49 -0.03 -0.43 0.00 -1.26 -4.95 121.76 116.39 2kg5 s ALA 71 Ca -0.02 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 2kg5 s ALA 71 Cb 0.02 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.47 2kg5 s ALA 71 CO 0.15 -0.75 0.95 1.15 0.00 0.00 0.00 175.76 177.26 2kg5 h THR 72 N 4.98 0.72 -0.46 0.00 2.02 -1.99 -1.97 112.91 116.21 2kg5 h THR 72 Ca -0.35 -0.93 0.13 0.00 0.77 0.00 0.00 66.41 66.04 2kg5 h THR 72 Cb 1.16 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2kg5 h THR 72 CO 0.88 0.17 0.44 1.23 0.37 0.00 0.00 175.52 178.61 2kg5 h GLY 73 N -0.86 0.00 1.02 2.16 0.00 -2.00 -0.40 103.07 102.99 2kg5 h GLY 73 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.98 2kg5 h GLY 73 CO 0.05 0.00 -1.47 0.45 0.00 0.00 0.00 176.54 175.57 2kg5 h HIS 74 N 0.00 0.81 0.08 5.60 -0.00 -1.96 -3.15 115.15 116.52 2kg5 h HIS 74 Ca 0.22 -0.59 0.01 0.00 -0.00 0.00 0.00 60.37 60.01 2kg5 h HIS 74 Cb 1.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.45 2kg5 h HIS 74 CO 0.00 1.57 -0.16 -0.09 -0.00 0.00 0.00 177.93 179.25 2kg5 h ARG 75 N 0.02 -0.30 0.00 2.45 2.43 -0.29 -0.66 114.38 118.04 2kg5 h ARG 75 Ca -0.27 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2kg5 h ARG 75 Cb 2.05 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.66 2kg5 h ARG 75 CO 0.21 -0.20 0.00 0.87 -1.51 0.00 0.00 179.97 179.35 2kg5 h LYS 76 N -0.31 0.00 0.00 0.20 1.57 -1.56 -1.65 116.57 114.83 2kg5 h LYS 76 Ca 0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 2kg5 h LYS 76 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2kg5 h LYS 76 CO -0.10 0.00 -0.51 -0.09 -0.57 0.00 0.00 179.45 178.18 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.08 -2.86 114.38 116.01 2kg5 h ARG 77 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2kg5 h ARG 77 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2kg5 h ARG 77 CO 0.00 0.51 -0.57 0.82 -1.51 0.00 0.00 179.97 179.21 2kg5 h ILE 78 N 0.00 0.71 -0.78 1.20 5.03 -0.89 -3.35 117.51 119.43 2kg5 h ILE 78 Ca -0.01 -1.71 0.13 0.00 -0.12 0.00 0.00 64.86 63.16 2kg5 h ILE 78 Cb 1.28 1.51 -0.05 0.00 -3.03 0.00 0.00 36.82 36.53 2kg5 h ILE 78 CO 0.07 0.24 0.51 -0.07 -0.68 0.00 0.00 178.15 178.22 2kg5 h LEU 79 N -1.00 0.50 -2.58 1.44 3.38 -1.63 0.28 115.31 115.70 2kg5 h LEU 79 Ca -0.12 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kg5 h LEU 79 Cb 0.81 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2kg5 h LEU 79 CO -0.07 0.27 -0.01 0.03 0.09 0.00 0.00 178.44 178.74 2kg5 h ARG 80 N 0.54 0.00 0.01 1.13 2.47 -1.66 -1.99 114.38 114.89 2kg5 h ARG 80 Ca 0.38 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.76 2kg5 h ARG 80 Cb 0.72 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.98 2kg5 h ARG 80 CO -0.14 0.01 -2.08 -0.11 0.56 0.00 0.00 179.97 178.21 2kg5 n LEU 81 N -3.30 0.91 0.17 3.04 7.94 0.90 -4.19 117.00 122.47 2kg5 n LEU 81 Ca -0.02 0.18 0.03 0.00 -1.11 0.00 0.00 56.01 55.08 2kg5 n LEU 81 Cb 0.12 0.07 0.40 0.00 0.53 0.00 0.00 43.42 44.54 2kg5 n LEU 81 CO 0.24 0.53 0.81 0.25 -1.11 0.00 0.00 177.39 178.11 2kg5 h LEU 82 N 0.01 0.08 -2.57 -1.96 6.46 -0.60 -2.09 115.31 114.63 2kg5 h LEU 82 Ca -0.43 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2kg5 h LEU 82 Cb 2.10 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 42.01 2kg5 h LEU 82 CO 0.04 0.34 0.01 1.56 -0.62 0.00 0.00 178.44 179.77 2kg5 h GLN 83 N 0.08 0.00 -6.44 1.25 4.20 -1.57 -3.44 115.11 109.19 2kg5 h GLN 83 Ca 0.01 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.11 2kg5 h GLN 83 Cb 0.50 0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.38 2kg5 h GLN 83 CO 0.04 0.00 0.10 -2.37 -0.67 0.00 0.00 178.83 175.93 2kg5 n THR 84 N -2.86 1.91 0.00 -0.54 5.66 -0.79 -4.14 114.28 113.51 2kg5 n THR 84 Ca -0.03 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2kg5 n THR 84 Cb 0.07 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 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 1.33 1.45 0.22 1.09 0.00 -1.26 -4.78 105.19 103.24 2kg5 n GLY 85 Ca 0.10 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.76 2kg5 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kg5 h THR 86 N 0.00 1.08 0.00 2.61 1.03 -1.97 -3.33 112.91 112.33 2kg5 h THR 86 Ca 0.00 -0.83 -0.03 0.00 -0.01 0.00 0.00 66.41 65.54 2kg5 h THR 86 Cb 0.00 1.46 -0.01 0.00 -1.07 0.00 0.00 68.15 68.53 2kg5 h THR 86 CO 0.00 0.23 -1.13 -1.84 -0.01 0.00 0.00 175.52 172.77 2kg5 n GLU 87 N -4.13 0.05 -2.88 0.00 0.28 -1.26 -5.10 120.64 107.61 2kg5 n GLU 87 Ca -0.02 0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.93 2kg5 n GLU 87 Cb 0.30 -1.01 0.01 0.00 1.43 0.00 0.00 31.44 32.17 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 -2.61 -2.66 -3.25 3.44 0.00 -1.25 -5.04 120.64 109.26 2kg5 n GLU 88 Ca -0.04 2.25 -0.03 0.00 0.00 0.00 0.00 57.16 59.34 2kg5 n GLU 88 Cb 0.54 -4.76 -0.04 0.00 0.00 0.00 0.00 31.44 27.18 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 -1.89 -0.78 -0.00 8.31 0.00 -1.26 -4.92 107.32 106.78 2kg5 s GLY 89 Ca 0.12 0.97 -0.02 0.00 0.00 0.00 0.00 44.72 45.79 2kg5 s GLY 89 CO 0.70 3.15 0.04 -0.56 0.00 0.00 0.00 173.10 176.44 2kg5 s SER 90 N 2.68 0.06 -0.37 1.64 0.01 -1.26 -4.90 113.70 111.56 2kg5 s SER 90 Ca 0.13 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.06 2kg5 s SER 90 Cb -0.13 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.25 2kg5 s SER 90 CO -0.23 -0.18 0.45 0.18 0.41 0.00 0.00 173.24 173.87 2kg5 n LEU 91 N 2.28 -6.03 -3.44 2.44 4.32 -1.26 -5.04 117.00 110.27 2kg5 n LEU 91 Ca -0.18 0.49 -0.12 0.00 -0.02 0.00 0.00 56.01 56.18 2kg5 n LEU 91 Cb 0.57 -2.72 -0.02 0.00 -1.62 0.00 0.00 43.42 39.64 2kg5 n LEU 91 CO 0.22 -1.77 0.39 1.51 -1.22 0.00 0.00 177.39 176.51 2kg5 s ASP 92 N -1.96 -0.55 0.70 -1.43 1.47 -1.26 -5.17 116.67 108.47 2kg5 s ASP 92 Ca 0.22 -0.02 -0.13 0.00 1.18 0.00 0.00 52.55 53.79 2kg5 s ASP 92 Cb -0.04 0.59 0.02 0.00 -0.34 0.00 0.00 42.92 43.15 2kg5 s ASP 92 CO 0.72 -0.97 1.10 -2.16 0.68 0.00 0.00 175.17 174.55 2kg5 s PRO 93 N -3.75 2.62 -0.40 2.11 0.04 -1.26 -5.02 135.00 129.33 2kg5 s PRO 93 Ca 0.01 1.31 0.10 0.00 0.04 0.00 0.00 61.00 62.47 2kg5 s PRO 93 Cb -0.01 -1.93 0.35 0.00 0.04 0.00 0.00 34.50 32.95 2kg5 s PRO 93 CO -0.13 -1.38 0.98 0.36 0.04 0.00 0.00 177.00 176.87 2kg5 n LYS 94 N -2.79 1.03 -3.49 4.56 2.85 -1.26 -5.12 118.16 113.94 2kg5 n LYS 94 Ca 0.10 -2.61 -0.14 0.00 -1.05 0.00 0.00 58.31 54.60 2kg5 n LYS 94 Cb 0.52 -1.21 -0.04 0.00 -0.65 0.00 0.00 35.03 33.65 2kg5 n LYS 94 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2kg5 s SER 95 N -1.90 -0.57 -0.21 -5.58 0.01 -1.26 -5.17 113.70 99.01 2kg5 s SER 95 Ca 0.29 0.38 -0.10 0.00 1.31 0.00 0.00 55.95 57.83 2kg5 s SER 95 Cb 0.34 0.52 0.08 0.00 0.21 0.00 0.00 66.02 67.17 2kg5 s SER 95 CO -0.06 -0.70 0.50 -0.62 0.41 0.00 0.00 173.24 172.77 2kg5 s ASP 96 N -1.82 -0.61 0.47 2.44 -1.08 -1.26 -5.13 116.67 109.68 2kg5 s ASP 96 Ca -0.05 1.12 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 2kg5 s ASP 96 Cb -0.00 1.21 0.00 0.00 -1.46 0.00 0.00 42.92 42.67 2kg5 s ASP 96 CO -0.00 -0.22 0.00 -1.20 0.52 0.00 0.00 175.17 174.27 2kg5 n SER 97 N 4.70 -7.59 0.00 -0.34 7.64 -1.26 -5.01 113.62 111.75 2kg5 n SER 97 Ca -0.18 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.72 2kg5 n SER 97 Cb 0.54 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 2kg5 n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg5 n ALA 98 N -3.45 1.99 0.12 -0.43 0.00 -1.26 -5.07 120.51 112.41 2kg5 n ALA 98 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kg5 n ALA 98 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.52 0.00 0.00 0.00 1.56 -1.26 -5.34 117.12 109.55 2kg5 n MET 99 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2kg5 n MET 99 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 2kg5 n MET 99 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33