#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 2.97 0.48 -0.41 1.00 -1.26 -5.05 119.30 117.03 2kg5 s MET 21 Ca 0.00 -2.12 0.05 0.00 0.00 0.00 0.00 55.69 53.62 2kg5 s MET 21 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 34.83 30.67 2kg5 s MET 21 CO 0.00 -1.25 0.16 0.00 0.00 0.00 0.00 175.02 173.93 2kg5 s ALA 22 N 0.76 3.92 0.66 3.03 0.00 -1.26 -5.00 121.76 123.87 2kg5 s ALA 22 Ca 0.11 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 2kg5 s ALA 22 Cb -0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2kg5 s ALA 22 CO -0.03 -0.19 1.05 0.00 0.00 0.00 0.00 175.76 176.59 2kg5 s ALA 23 N -2.74 2.79 1.05 0.00 0.00 -1.26 -5.06 121.76 116.54 2kg5 s ALA 23 Ca 0.28 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 2kg5 s ALA 23 Cb 0.02 -3.16 0.07 0.00 0.00 0.00 0.00 23.12 20.05 2kg5 s ALA 23 CO 0.16 -1.00 0.24 -0.35 0.00 0.00 0.00 175.76 174.80 2kg5 n PRO 24 N -2.81 -1.49 -0.02 0.00 -0.04 -1.26 -5.04 135.00 124.35 2kg5 n PRO 24 Ca 0.07 -0.38 -0.03 0.00 -0.04 0.00 0.00 63.50 63.13 2kg5 n PRO 24 Cb 0.54 -0.35 -0.03 0.00 -0.04 0.00 0.00 33.50 33.61 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 -2.23 1.58 -1.43 0.54 10.64 -1.26 -4.67 117.38 120.55 2kg5 n GLN 25 Ca 0.03 0.02 -0.26 0.00 -1.83 0.00 0.00 57.00 54.96 2kg5 n GLN 25 Cb 0.13 -1.10 -0.05 0.00 -0.86 0.00 0.00 30.24 28.35 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 -2.43 6.44 -4.46 2.61 2.03 -1.26 -3.04 116.55 116.45 2kg5 n ASP 26 Ca -0.08 -3.18 -0.38 0.00 0.52 0.00 0.00 54.79 51.67 2kg5 n ASP 26 Cb 0.61 -1.22 -0.12 0.00 -0.72 0.00 0.00 41.12 39.67 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 -2.10 3.97 0.16 -2.67 2.96 -1.26 -5.03 118.68 114.70 2kg5 s LEU 27 Ca 0.57 -0.39 -0.33 0.00 -0.22 0.00 0.00 54.13 53.76 2kg5 s LEU 27 Cb 0.37 -2.00 -0.16 0.00 0.50 0.00 0.00 46.19 44.90 2kg5 s LEU 27 CO -0.20 -0.14 1.10 -0.67 -1.32 0.00 0.00 176.35 175.12 2kg5 n ASP 28 N 4.98 1.00 0.33 3.68 -0.08 -1.26 -1.76 116.55 123.44 2kg5 n ASP 28 Ca -0.14 1.14 0.20 0.00 -1.51 0.00 0.00 54.79 54.48 2kg5 n ASP 28 Cb 0.50 -1.16 1.10 0.00 2.34 0.00 0.00 41.12 43.89 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 2.57 0.07 -0.03 5.18 6.09 -0.76 -0.32 117.51 130.30 2kg5 h ILE 29 Ca -0.43 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 62.86 2kg5 h ILE 29 Cb 1.36 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 39.57 2kg5 h ILE 29 CO 0.68 0.00 -0.85 0.00 -3.07 0.00 0.00 178.15 174.91 2kg5 h ALA 30 N 1.84 0.49 0.00 0.18 0.00 -1.85 -2.77 119.26 117.15 2kg5 h ALA 30 Ca 0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 2kg5 h ALA 30 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kg5 h ALA 30 CO -0.00 0.82 -0.34 0.28 0.00 0.00 0.00 179.25 180.01 2kg5 h VAL 31 N 0.21 0.70 0.07 0.00 2.07 -1.40 -1.59 116.25 116.32 2kg5 h VAL 31 Ca -0.05 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 2kg5 h VAL 31 Cb 1.46 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2kg5 h VAL 31 CO 0.14 0.33 -0.03 -0.25 0.02 0.00 0.00 177.57 177.78 2kg5 h TRP 32 N 0.00 -0.09 0.00 1.57 7.01 -1.46 -3.30 115.95 119.69 2kg5 h TRP 32 Ca -0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 2kg5 h TRP 32 Cb 0.99 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.07 2kg5 h TRP 32 CO 0.00 0.45 -0.15 -0.07 -2.79 0.00 0.00 178.44 175.88 2kg5 h LEU 33 N -0.91 0.00 -2.54 0.65 3.38 -1.57 -2.58 115.31 111.74 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 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kg5 h LEU 33 CO 0.02 0.15 -0.00 0.00 0.09 0.00 0.00 178.44 178.70 2kg5 h ALA 34 N 1.85 1.02 0.00 1.53 0.00 -1.36 -0.73 119.26 121.56 2kg5 h ALA 34 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2kg5 h ALA 34 Cb 0.59 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kg5 h ALA 34 CO 0.02 0.00 -0.34 1.79 0.00 0.00 0.00 179.25 180.72 2kg5 h THR 35 N 0.00 1.02 -0.38 0.00 1.35 -1.55 -2.73 112.91 110.62 2kg5 h THR 35 Ca -0.00 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 2kg5 h THR 35 Cb 0.15 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2kg5 h THR 35 CO 0.00 0.34 0.00 1.33 -0.25 0.00 0.00 175.52 176.94 2kg5 n VAL 36 N -3.81 1.57 -3.29 6.82 0.24 -0.60 -4.96 118.33 114.31 2kg5 n VAL 36 Ca -0.01 -1.33 -0.17 0.00 -2.04 0.00 0.00 64.34 60.79 2kg5 n VAL 36 Cb 0.42 0.18 0.07 0.00 -1.47 0.00 0.00 33.84 33.04 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 0.30 -2.11 -2.33 6.34 -0.00 -1.03 -4.92 115.22 111.47 2kg5 n HIS 37 Ca 0.18 0.79 0.02 0.00 -0.00 0.00 0.00 57.72 58.71 2kg5 n HIS 37 Cb 0.67 -4.33 0.00 0.00 -0.00 0.00 0.00 29.99 26.33 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 -3.89 0.53 0.21 0.27 4.77 -0.38 -4.88 117.00 113.64 2kg5 n LEU 38 Ca -0.08 -1.78 0.18 0.00 -0.03 0.00 0.00 56.01 54.29 2kg5 n LEU 38 Cb 0.58 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.52 2kg5 n LEU 38 CO 0.51 0.60 1.15 1.05 -1.33 0.00 0.00 177.39 179.37 2kg5 h GLU 39 N 0.66 0.00 -0.10 3.23 4.11 -1.78 0.19 114.58 120.89 2kg5 h GLU 39 Ca -0.22 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.24 2kg5 h GLU 39 Cb 1.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 2kg5 h GLU 39 CO 0.03 0.00 0.12 -0.56 0.07 0.00 0.00 179.01 178.67 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.25 115.11 117.58 2kg5 h GLN 40 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 2kg5 h GLN 40 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 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 -3.77 0.00 0.29 0.06 4.01 0.06 -2.99 117.16 114.81 2kg5 n TYR 41 Ca -0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 2kg5 n TYR 41 Cb 0.23 -0.41 0.88 0.00 -0.31 0.00 0.00 39.34 39.73 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 2.81 1.36 0.25 -0.72 0.00 -0.68 -2.83 119.26 119.45 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 -0.12 0.22 0.00 0.00 0.00 179.25 179.41 2kg5 h ASP 43 N 0.00 -0.28 -0.68 0.00 1.82 -1.74 -0.28 116.42 115.26 2kg5 h ASP 43 Ca -0.00 0.01 0.16 0.00 -0.39 0.00 0.00 57.03 56.81 2kg5 h ASP 43 Cb 0.13 0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.18 2kg5 h ASP 43 CO 0.01 -0.20 0.47 0.00 -1.61 0.00 0.00 179.24 177.91 2kg5 h THR 44 N -0.34 0.75 0.26 2.25 1.03 -1.80 -1.73 112.91 113.33 2kg5 h THR 44 Ca -0.03 -0.08 -0.01 0.00 -0.01 0.00 0.00 66.41 66.28 2kg5 h THR 44 Cb 0.26 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 2kg5 h THR 44 CO 0.06 0.04 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.22 2kg5 h PHE 45 N 0.22 -0.32 -0.57 0.00 -1.00 -1.35 -2.26 116.94 111.66 2kg5 h PHE 45 Ca 0.33 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.15 2kg5 h PHE 45 Cb 0.99 0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.61 2kg5 h PHE 45 CO -0.00 -0.05 0.31 0.00 -1.61 0.00 0.00 178.31 176.96 2kg5 h ARG 46 N -0.58 0.58 0.00 1.51 3.08 -0.21 0.36 114.38 119.12 2kg5 h ARG 46 Ca -0.04 -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 -0.16 114.38 123.20 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 -0.19 1.58 2.80 0.00 0.00 179.97 184.01 2kg5 n HIS 48 N -2.42 0.00 -0.04 2.20 -0.00 0.09 -4.90 115.22 110.16 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 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 29.80 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 1.34 0.98 2.50 1.57 0.00 -0.07 -5.06 105.19 106.45 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 0.88 -0.04 0.99 2.34 -1.06 -4.95 118.68 116.84 2kg5 s LEU 50 Ca 0.00 -1.84 0.20 0.00 0.06 0.00 0.00 54.13 52.55 2kg5 s LEU 50 Cb 0.00 -0.40 0.66 0.00 -0.56 0.00 0.00 46.19 45.88 2kg5 s LEU 50 CO 0.00 -0.36 1.56 0.00 -1.06 0.00 0.00 176.35 176.48 2kg5 n ALA 51 N 4.51 2.63 -3.03 1.48 0.00 -1.26 -3.01 120.51 121.84 2kg5 n ALA 51 Ca 0.05 -1.35 -0.11 0.00 0.00 0.00 0.00 53.44 52.03 2kg5 n ALA 51 Cb 0.39 -0.97 -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 -1.33 0.09 0.58 0.00 -4.23 -1.26 -0.04 115.64 109.46 2kg5 s THR 52 Ca 0.49 -0.77 0.38 0.00 -1.18 0.00 0.00 61.69 60.60 2kg5 s THR 52 Cb 0.27 -0.55 0.40 0.00 1.34 0.00 0.00 72.50 73.97 2kg5 s THR 52 CO 0.30 -0.42 2.29 0.00 -0.54 0.00 0.00 174.62 176.24 2kg5 h ALA 53 N 4.09 1.17 0.00 3.99 0.00 -1.54 -0.66 119.26 126.31 2kg5 h ALA 53 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kg5 h ALA 53 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kg5 h ALA 53 CO 0.43 0.02 -0.30 0.78 0.00 0.00 0.00 179.25 180.18 2kg5 h GLY 54 N 0.24 0.00 -0.86 0.00 0.00 -1.80 -2.56 103.07 98.08 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 -0.29 0.00 0.00 0.00 0.00 176.54 176.25 2kg5 n ALA 55 N -2.09 3.16 0.13 3.60 0.00 -0.29 -4.13 120.51 120.89 2kg5 n ALA 55 Ca 0.03 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.92 2kg5 n ALA 55 Cb 0.53 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 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 0.13 2.52 -1.45 0.00 0.00 -1.00 -4.70 120.51 116.01 2kg5 n ALA 56 Ca 0.12 -0.18 -0.49 0.00 0.00 0.00 0.00 53.44 52.89 2kg5 n ALA 56 Cb 0.46 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.58 2kg5 n ALA 56 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kg5 n ARG 57 N -1.51 0.91 0.00 0.00 1.85 -0.97 -1.87 116.66 115.07 2kg5 n ARG 57 Ca -0.00 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 2kg5 n ARG 57 Cb 0.15 -2.42 0.00 0.00 -1.05 0.00 0.00 32.46 29.14 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kg5 n GLY 58 N 6.54 1.67 3.58 2.89 0.00 -1.26 -5.07 105.19 113.54 2kg5 n GLY 58 Ca 0.44 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 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 2.26 0.00 0.99 4.32 -0.78 -5.01 117.00 118.78 2kg5 n LEU 59 Ca 0.00 0.98 0.00 0.00 -0.02 0.00 0.00 56.01 56.97 2kg5 n LEU 59 Cb 0.00 -1.31 0.00 0.00 -1.62 0.00 0.00 43.42 40.49 2kg5 n LEU 59 CO 0.00 -1.81 0.00 0.61 -1.22 0.00 0.00 177.39 174.97 2kg5 n GLY 60 N 1.31 4.17 0.22 -0.72 0.00 -1.26 -5.00 105.19 103.90 2kg5 n GLY 60 Ca 0.10 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 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 0.60 -0.42 -0.15 1.61 3.86 -1.98 -2.07 115.15 116.59 2kg5 h HIS 61 Ca 0.00 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2kg5 h HIS 61 Cb 0.00 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2kg5 h HIS 61 CO 0.00 -0.09 0.22 0.93 0.86 0.00 0.00 177.93 179.85 2kg5 h GLU 62 N -0.92 0.00 0.14 2.45 5.08 -2.01 0.17 114.58 119.49 2kg5 h GLU 62 Ca -0.05 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.03 2kg5 h GLU 62 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2kg5 h GLU 62 CO 0.08 0.00 -1.25 1.49 -1.00 0.00 0.00 179.01 178.33 2kg5 h GLU 63 N 0.00 0.35 -0.10 2.33 4.57 -1.93 -3.27 114.58 116.53 2kg5 h GLU 63 Ca 0.07 -0.56 -0.09 0.00 -1.18 0.00 0.00 59.36 57.60 2kg5 h GLU 63 Cb 0.50 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2kg5 h GLU 63 CO -0.00 1.25 -0.33 -0.07 -1.18 0.00 0.00 179.01 178.68 2kg5 h LEU 64 N 0.12 0.20 -0.77 1.64 3.38 -0.25 -1.85 115.31 117.78 2kg5 h LEU 64 Ca -0.15 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2kg5 h LEU 64 Cb 1.96 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 2kg5 h LEU 64 CO 0.21 0.53 0.32 0.11 0.09 0.00 0.00 178.44 179.71 2kg5 h LYS 65 N 0.18 1.15 0.00 1.13 1.57 -1.48 -2.11 116.57 117.00 2kg5 h LYS 65 Ca 0.02 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2kg5 h LYS 65 Cb 0.68 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2kg5 h LYS 65 CO 0.05 0.92 -0.20 0.94 -0.57 0.00 0.00 179.45 180.60 2kg5 n GLN 66 N -4.32 0.14 0.23 3.15 7.27 -1.10 -3.44 117.38 119.31 2kg5 n GLN 66 Ca 0.07 0.09 0.11 0.00 0.07 0.00 0.00 57.00 57.33 2kg5 n GLN 66 Cb 0.17 -1.63 0.49 0.00 2.41 0.00 0.00 30.24 31.68 2kg5 n GLN 66 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2kg5 h LEU 67 N 0.00 0.00 0.00 1.69 3.38 -0.63 -3.46 115.31 116.29 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 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kg5 h LEU 67 CO 0.00 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.34 2kg5 n GLY 68 N 0.10 1.85 3.50 0.83 0.00 -1.20 -4.93 105.19 105.34 2kg5 n GLY 68 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.93 4.90 -0.21 -0.61 1.01 -1.15 -4.92 121.20 118.28 2kg5 s ILE 69 Ca 0.00 -0.20 0.17 0.00 0.00 0.00 0.00 60.65 60.62 2kg5 s ILE 69 Cb 0.00 -3.44 -0.24 0.00 0.01 0.00 0.00 42.46 38.79 2kg5 s ILE 69 CO 0.00 0.12 0.45 -1.20 0.00 0.00 0.00 174.94 174.32 2kg5 n SER 70 N 5.02 1.04 -4.55 3.58 7.64 -1.26 -4.53 113.62 120.56 2kg5 n SER 70 Ca -0.14 -0.22 -0.41 0.00 1.01 0.00 0.00 58.87 59.11 2kg5 n SER 70 Cb 0.50 1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 65.25 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 -3.02 2.75 0.28 -0.43 0.00 -1.26 -4.86 121.76 115.23 2kg5 s ALA 71 Ca -0.03 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.02 2kg5 s ALA 71 Cb 0.11 -4.40 0.65 0.00 0.00 0.00 0.00 23.12 19.48 2kg5 s ALA 71 CO 0.70 -3.46 1.76 1.15 0.00 0.00 0.00 175.76 175.90 2kg5 h THR 72 N 6.47 0.68 0.00 0.00 2.02 -2.00 0.29 112.91 120.37 2kg5 h THR 72 Ca 0.01 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2kg5 h THR 72 Cb 1.03 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2kg5 h THR 72 CO 1.36 0.12 -0.12 1.23 0.37 0.00 0.00 175.52 178.48 2kg5 h GLY 73 N 0.65 0.00 0.42 2.16 0.00 -2.00 -2.48 103.07 101.82 2kg5 h GLY 73 Ca 0.53 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.68 2kg5 h GLY 73 CO -0.40 0.00 -0.89 0.45 0.00 0.00 0.00 176.54 175.71 2kg5 h HIS 74 N 0.00 0.34 -0.46 5.60 -0.00 -0.92 -3.22 115.15 116.48 2kg5 h HIS 74 Ca -0.00 -0.25 0.09 0.00 -0.00 0.00 0.00 60.37 60.21 2kg5 h HIS 74 Cb 0.23 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 27.55 2kg5 h HIS 74 CO 0.00 1.34 -0.01 -0.09 -0.00 0.00 0.00 177.93 179.17 2kg5 h ARG 75 N -0.55 0.10 0.00 2.45 2.43 -0.87 0.26 114.38 118.20 2kg5 h ARG 75 Ca -0.19 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 2kg5 h ARG 75 Cb 1.51 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2kg5 h ARG 75 CO 0.05 0.06 -0.03 0.87 -1.51 0.00 0.00 179.97 179.41 2kg5 h LYS 76 N 0.10 0.00 0.00 0.20 1.57 -1.60 -1.56 116.57 115.28 2kg5 h LYS 76 Ca 0.23 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2kg5 h LYS 76 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2kg5 h LYS 76 CO -0.40 0.03 -0.27 -0.09 -0.57 0.00 0.00 179.45 178.15 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -0.51 -2.62 114.38 116.84 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 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2kg5 h ARG 77 CO 0.00 0.27 -0.29 0.82 -1.51 0.00 0.00 179.97 179.26 2kg5 h ILE 78 N 0.00 0.86 -0.70 1.20 1.08 -0.63 -3.31 117.51 116.01 2kg5 h ILE 78 Ca -0.00 -1.74 0.03 0.00 -0.39 0.00 0.00 64.86 62.76 2kg5 h ILE 78 Cb 1.08 1.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 2kg5 h ILE 78 CO 0.04 0.29 0.46 -0.07 -0.69 0.00 0.00 178.15 178.18 2kg5 h LEU 79 N -1.00 0.75 -2.55 1.44 3.38 -1.61 -0.12 115.31 115.61 2kg5 h LEU 79 Ca -0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2kg5 h LEU 79 Cb 0.69 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2kg5 h LEU 79 CO -0.04 0.53 -0.02 -0.09 0.09 0.00 0.00 178.44 178.91 2kg5 h ARG 80 N 0.88 0.00 0.03 1.13 2.43 -1.61 -2.00 114.38 115.24 2kg5 h ARG 80 Ca 0.27 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.11 2kg5 h ARG 80 Cb 0.01 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 2kg5 h ARG 80 CO -0.07 0.02 -1.96 -0.11 -1.51 0.00 0.00 179.97 176.34 2kg5 n LEU 81 N -3.45 1.26 -0.28 3.80 7.94 -0.15 -3.97 117.00 122.16 2kg5 n LEU 81 Ca -0.03 0.25 0.01 0.00 -1.11 0.00 0.00 56.01 55.13 2kg5 n LEU 81 Cb 0.11 -0.14 0.21 0.00 0.53 0.00 0.00 43.42 44.14 2kg5 n LEU 81 CO 0.25 0.55 1.26 0.25 -1.11 0.00 0.00 177.39 178.59 2kg5 h LEU 82 N 0.02 0.95 0.04 -1.96 6.46 -0.55 -2.77 115.31 117.49 2kg5 h LEU 82 Ca -0.39 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.35 2kg5 h LEU 82 Cb 2.05 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.76 2kg5 h LEU 82 CO 0.06 0.67 -0.02 1.56 -0.62 0.00 0.00 178.44 180.09 2kg5 h GLN 83 N 1.11 -0.05 -5.95 1.25 4.20 -1.65 -3.48 115.11 110.54 2kg5 h GLN 83 Ca 0.32 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.96 2kg5 h GLN 83 Cb -0.06 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2kg5 h GLN 83 CO -0.08 0.23 -0.95 -2.37 -0.67 0.00 0.00 178.83 174.98 2kg5 n THR 84 N -4.98 -2.17 -1.39 -0.54 5.66 -1.05 -4.46 114.28 105.35 2kg5 n THR 84 Ca -0.08 0.37 -0.50 0.00 -3.05 0.00 0.00 64.05 60.79 2kg5 n THR 84 Cb 0.17 -2.83 -0.11 0.00 -1.55 0.00 0.00 70.33 66.01 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 0.92 -0.12 2.00 1.09 0.00 -1.26 -4.77 105.19 103.06 2kg5 n GLY 85 Ca -0.02 1.07 -0.22 0.00 0.00 0.00 0.00 46.02 46.85 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 7.06 2.92 -2.05 2.61 -2.24 -1.26 -3.90 114.28 117.43 2kg5 n THR 86 Ca 0.55 -1.88 -0.03 0.00 -2.27 0.00 0.00 64.05 60.42 2kg5 n THR 86 Cb 0.07 -1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 67.26 2kg5 n THR 86 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kg5 n GLU 87 N -0.39 0.00 -3.94 -0.78 0.28 -1.26 -4.93 120.64 109.62 2kg5 n GLU 87 Ca 0.44 -0.75 -0.11 0.00 -0.16 0.00 0.00 57.16 56.58 2kg5 n GLU 87 Cb 0.90 0.22 -0.01 0.00 1.43 0.00 0.00 31.44 33.97 2kg5 n GLU 87 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2kg5 s GLU 88 N 0.00 1.99 0.32 3.44 4.04 -1.25 -5.19 118.70 122.05 2kg5 s GLU 88 Ca 0.03 -1.49 -0.07 0.00 0.04 0.00 0.00 54.97 53.47 2kg5 s GLU 88 Cb 0.04 0.54 0.01 0.00 0.02 0.00 0.00 34.13 34.73 2kg5 s GLU 88 CO -0.02 -0.88 0.52 0.20 -1.84 0.00 0.00 175.26 173.24 2kg5 s GLY 89 N -3.11 1.04 0.49 -3.83 0.00 -1.26 -5.01 107.32 95.65 2kg5 s GLY 89 Ca 0.21 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2kg5 s GLY 89 CO 0.14 -0.79 0.00 1.44 0.00 0.00 0.00 173.10 173.89 2kg5 n SER 90 N -1.10 -7.11 0.08 1.64 7.64 -1.26 -5.01 113.62 108.50 2kg5 n SER 90 Ca -0.01 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2kg5 n SER 90 Cb 0.61 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 2kg5 n SER 90 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kg5 n LEU 91 N -4.05 0.16 -2.74 -3.43 -0.00 -1.26 -5.10 117.00 100.58 2kg5 n LEU 91 Ca -0.06 0.26 -0.02 0.00 -0.00 0.00 0.00 56.01 56.18 2kg5 n LEU 91 Cb 0.59 0.12 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 2kg5 n LEU 91 CO 0.03 -0.63 0.21 0.47 -0.00 0.00 0.00 177.39 177.46 2kg5 n ASP 92 N -3.22 -6.87 -4.68 1.96 8.00 -1.26 -5.01 116.55 105.47 2kg5 n ASP 92 Ca 0.00 0.11 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 2kg5 n ASP 92 Cb 0.06 -4.61 0.18 0.00 -0.02 0.00 0.00 41.12 36.72 2kg5 n ASP 92 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2kg5 s PRO 93 N -2.77 0.42 0.00 -0.24 0.04 -1.26 -5.02 135.00 126.17 2kg5 s PRO 93 Ca 0.07 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2kg5 s PRO 93 Cb -0.02 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2kg5 s PRO 93 CO 0.63 -2.74 0.00 1.63 0.04 0.00 0.00 177.00 176.56 2kg5 n LYS 94 N -4.18 0.00 -3.67 4.56 4.76 -1.26 -5.09 118.16 113.28 2kg5 n LYS 94 Ca 0.05 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.33 2kg5 n LYS 94 Cb 0.57 -0.08 -0.15 0.00 -1.84 0.00 0.00 35.03 33.53 2kg5 n LYS 94 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2kg5 s SER 95 N -4.98 0.69 -0.30 4.39 0.15 -1.26 -5.12 113.70 107.27 2kg5 s SER 95 Ca 0.00 0.36 -0.18 0.00 0.70 0.00 0.00 55.95 56.83 2kg5 s SER 95 Cb 0.00 0.32 0.19 0.00 -1.71 0.00 0.00 66.02 64.81 2kg5 s SER 95 CO 0.00 -0.24 1.19 -0.62 1.20 0.00 0.00 173.24 174.77 2kg5 s ASP 96 N 2.28 -0.23 0.07 5.45 -1.08 -1.26 -5.09 116.67 116.81 2kg5 s ASP 96 Ca 0.03 0.31 0.00 0.00 -0.52 0.00 0.00 52.55 52.37 2kg5 s ASP 96 Cb -0.12 1.25 0.00 0.00 -1.46 0.00 0.00 42.92 42.59 2kg5 s ASP 96 CO -0.06 -0.04 0.00 -0.24 0.52 0.00 0.00 175.17 175.35 2kg5 n SER 97 N 4.58 -0.52 0.00 -0.34 2.88 -1.26 -5.12 113.62 113.85 2kg5 n SER 97 Ca -0.08 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2kg5 n SER 97 Cb 0.55 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 2kg5 n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 n ALA 98 N -2.66 0.00 -3.94 -1.46 0.00 -1.26 -5.17 120.51 106.01 2kg5 n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kg5 n ALA 98 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2kg5 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 s MET 99 N -0.73 0.79 0.00 0.00 0.23 -1.26 -5.32 119.30 113.01 2kg5 s MET 99 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 55.69 54.15 2kg5 s MET 99 Cb 0.00 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.52 2kg5 s MET 99 CO 0.00 -0.37 0.00 -1.91 -2.03 0.00 0.00 175.02 170.71