#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 -1.37 0.73 1.57 1.00 -1.26 -4.85 119.30 115.12 2kg5 s MET 21 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 55.69 56.07 2kg5 s MET 21 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 34.83 33.29 2kg5 s MET 21 CO 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 175.02 171.11 2kg5 n ALA 22 N -4.98 -2.62 -2.25 3.03 0.00 -1.26 -4.97 120.51 107.46 2kg5 n ALA 22 Ca 0.08 0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 2kg5 n ALA 22 Cb 0.58 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.07 0.36 1.07 0.00 0.00 -1.26 -5.17 121.76 114.69 2kg5 s ALA 23 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 2kg5 s ALA 23 Cb 0.00 0.29 0.08 0.00 0.00 0.00 0.00 23.12 23.49 2kg5 s ALA 23 CO 0.00 -0.37 0.30 -0.35 0.00 0.00 0.00 175.76 175.34 2kg5 n PRO 24 N 0.23 -1.61 -0.00 0.00 -0.04 -1.26 -5.04 135.00 127.28 2kg5 n PRO 24 Ca -0.15 -0.49 -0.00 0.00 -0.04 0.00 0.00 63.50 62.82 2kg5 n PRO 24 Cb 0.61 -0.45 -0.00 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 -2.44 1.65 -1.59 0.54 10.64 -1.26 -4.63 117.38 120.29 2kg5 n GLN 25 Ca 0.04 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.91 2kg5 n GLN 25 Cb 0.16 -1.01 -0.02 0.00 -0.86 0.00 0.00 30.24 28.51 2kg5 n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2kg5 n ASP 26 N -2.30 6.80 -4.44 2.61 8.00 -1.26 -3.24 116.55 122.72 2kg5 n ASP 26 Ca -0.01 -3.39 -0.38 0.00 0.71 0.00 0.00 54.79 51.72 2kg5 n ASP 26 Cb 0.51 -1.18 -0.12 0.00 -0.02 0.00 0.00 41.12 40.31 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kg5 s LEU 27 N -2.74 3.80 0.18 0.64 2.96 -1.26 -5.03 118.68 117.22 2kg5 s LEU 27 Ca 0.56 -0.40 -0.32 0.00 -0.22 0.00 0.00 54.13 53.75 2kg5 s LEU 27 Cb 0.40 -1.96 -0.16 0.00 0.50 0.00 0.00 46.19 44.97 2kg5 s LEU 27 CO -0.27 -0.12 1.08 -0.67 -1.32 0.00 0.00 176.35 175.05 2kg5 n ASP 28 N 4.95 1.01 0.33 3.68 2.03 -1.26 -1.67 116.55 125.62 2kg5 n ASP 28 Ca -0.15 1.15 0.21 0.00 0.52 0.00 0.00 54.79 56.52 2kg5 n ASP 28 Cb 0.50 -1.18 1.15 0.00 -0.72 0.00 0.00 41.12 40.86 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 2.45 0.04 -0.01 5.18 6.09 -0.78 -0.58 117.51 129.89 2kg5 h ILE 29 Ca -0.42 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 62.86 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 0.67 0.00 -0.89 0.00 -3.07 0.00 0.00 178.15 174.86 2kg5 h ALA 30 N 1.91 0.45 0.00 0.18 0.00 -1.85 -2.85 119.26 117.10 2kg5 h ALA 30 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2kg5 h ALA 30 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kg5 h ALA 30 CO -0.00 0.83 -0.33 0.28 0.00 0.00 0.00 179.25 180.04 2kg5 h VAL 31 N 0.20 0.69 0.09 0.00 2.07 -1.45 -1.55 116.25 116.30 2kg5 h VAL 31 Ca -0.06 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 2kg5 h VAL 31 Cb 1.51 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2kg5 h VAL 31 CO 0.15 0.32 -0.04 -0.25 0.02 0.00 0.00 177.57 177.77 2kg5 h TRP 32 N 0.00 -0.11 0.00 1.57 7.01 -1.47 -3.29 115.95 119.66 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 0.97 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 28.06 2kg5 h TRP 32 CO 0.00 0.40 -0.16 -0.07 -2.79 0.00 0.00 178.44 175.82 2kg5 h LEU 33 N -0.91 0.00 -2.05 0.65 3.38 -1.58 -2.60 115.31 112.21 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 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kg5 h LEU 33 CO 0.02 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.71 2kg5 h ALA 34 N 1.84 1.00 0.00 1.53 0.00 -1.35 -1.05 119.26 121.23 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 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2kg5 h ALA 34 CO 0.02 0.00 -0.22 1.79 0.00 0.00 0.00 179.25 180.85 2kg5 h THR 35 N 0.00 0.66 -0.16 0.00 1.35 -1.56 -2.78 112.91 110.41 2kg5 h THR 35 Ca 0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2kg5 h THR 35 Cb 0.10 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2kg5 h THR 35 CO 0.00 0.21 0.00 1.33 -0.25 0.00 0.00 175.52 176.81 2kg5 n VAL 36 N -3.56 1.63 -3.35 6.82 0.24 -0.51 -4.97 118.33 114.64 2kg5 n VAL 36 Ca -0.01 -1.60 -0.18 0.00 -2.04 0.00 0.00 64.34 60.51 2kg5 n VAL 36 Cb 0.36 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 -0.51 -2.24 -2.23 6.34 -0.00 -1.05 -4.91 115.22 110.61 2kg5 n HIS 37 Ca 0.13 0.82 0.03 0.00 -0.00 0.00 0.00 57.72 58.70 2kg5 n HIS 37 Cb 0.59 -4.34 0.02 0.00 -0.00 0.00 0.00 29.99 26.27 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 -4.05 0.73 0.25 0.27 4.77 -0.56 -4.85 117.00 113.56 2kg5 n LEU 38 Ca -0.04 -1.73 0.18 0.00 -0.03 0.00 0.00 56.01 54.38 2kg5 n LEU 38 Cb 0.57 -0.03 0.90 0.00 -2.33 0.00 0.00 43.42 42.52 2kg5 n LEU 38 CO 0.52 0.45 1.15 1.05 -1.33 0.00 0.00 177.39 179.23 2kg5 h GLU 39 N 0.59 0.00 -0.11 3.23 4.11 -1.78 -0.20 114.58 120.42 2kg5 h GLU 39 Ca -0.13 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.34 2kg5 h GLU 39 Cb 1.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 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 3.07 -1.90 0.26 115.11 117.60 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 0.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 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 -3.75 0.00 0.29 0.06 4.01 -0.09 -3.05 117.16 114.64 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 0.24 -0.43 0.88 0.00 -0.31 0.00 0.00 39.34 39.72 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 1.45 0.26 -0.72 0.00 -0.65 -2.81 119.26 119.61 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 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kg5 h ALA 42 CO 0.00 0.04 -0.13 0.22 0.00 0.00 0.00 179.25 179.38 2kg5 h ASP 43 N 0.00 -0.32 -0.65 0.00 3.58 -1.74 0.19 116.42 117.48 2kg5 h ASP 43 Ca -0.00 0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.61 2kg5 h ASP 43 Cb 0.09 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2kg5 h ASP 43 CO 0.00 -0.22 0.44 0.00 -2.88 0.00 0.00 179.24 176.59 2kg5 h THR 44 N -0.36 0.78 0.25 2.25 1.03 -1.80 -1.78 112.91 113.28 2kg5 h THR 44 Ca -0.04 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.26 2kg5 h THR 44 Cb 0.28 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 2kg5 h THR 44 CO 0.05 0.05 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.23 2kg5 h PHE 45 N 0.25 -0.32 -0.57 0.00 -1.00 -1.32 -2.28 116.94 111.71 2kg5 h PHE 45 Ca 0.31 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.13 2kg5 h PHE 45 Cb 0.87 0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 2kg5 h PHE 45 CO -0.00 -0.04 0.30 0.00 -1.61 0.00 0.00 178.31 176.96 2kg5 h ARG 46 N -0.57 0.56 0.00 1.51 3.08 -0.21 0.50 114.38 119.25 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 0.37 0.00 -0.09 -1.07 0.00 0.00 179.97 179.24 2kg5 h ARG 47 N 0.58 0.00 -0.00 0.04 9.65 -1.31 -0.13 114.38 123.21 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 0.14 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 -0.18 1.58 2.80 0.00 0.00 179.97 184.00 2kg5 n HIS 48 N -2.46 0.00 -0.01 2.20 -0.00 0.14 -4.90 115.22 110.20 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 0.99 2.51 1.57 0.00 -0.06 -5.06 105.19 106.49 2kg5 n GLY 49 Ca 0.12 -0.01 -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 0.95 -0.04 0.99 2.34 -1.07 -4.95 118.68 116.89 2kg5 s LEU 50 Ca 0.00 -1.87 0.20 0.00 0.06 0.00 0.00 54.13 52.53 2kg5 s LEU 50 Cb 0.00 -0.43 0.67 0.00 -0.56 0.00 0.00 46.19 45.87 2kg5 s LEU 50 CO 0.00 -0.36 1.57 0.00 -1.06 0.00 0.00 176.35 176.50 2kg5 n ALA 51 N 4.48 2.67 -3.00 1.48 0.00 -1.26 -3.01 120.51 121.86 2kg5 n ALA 51 Ca 0.05 -1.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.01 2kg5 n ALA 51 Cb 0.39 -0.98 -0.10 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 -1.36 0.10 0.60 0.00 -4.23 -1.26 -0.07 115.64 109.42 2kg5 s THR 52 Ca 0.49 -0.80 0.38 0.00 -1.18 0.00 0.00 61.69 60.58 2kg5 s THR 52 Cb 0.28 -0.57 0.40 0.00 1.34 0.00 0.00 72.50 73.95 2kg5 s THR 52 CO 0.29 -0.44 2.30 0.00 -0.54 0.00 0.00 174.62 176.23 2kg5 h ALA 53 N 4.07 1.20 0.00 3.99 0.00 -1.53 -0.59 119.26 126.39 2kg5 h ALA 53 Ca -0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 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 0.01 -0.34 0.78 0.00 0.00 0.00 179.25 180.14 2kg5 h GLY 54 N 0.15 0.00 -0.92 0.00 0.00 -1.81 -2.46 103.07 98.03 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 -0.23 0.00 0.00 0.00 0.00 176.54 176.31 2kg5 n ALA 55 N -2.15 3.02 0.09 3.60 0.00 -0.27 -4.11 120.51 120.69 2kg5 n ALA 55 Ca 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.92 2kg5 n ALA 55 Cb 0.58 -0.92 -0.05 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 0.25 2.44 -1.49 0.00 0.00 -0.96 -4.69 120.51 116.06 2kg5 n ALA 56 Ca 0.13 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 2kg5 n ALA 56 Cb 0.46 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.59 0.73 0.00 0.00 -4.01 -0.93 -1.98 116.66 108.88 2kg5 n ARG 57 Ca -0.01 0.10 0.00 0.00 -1.04 0.00 0.00 57.85 56.91 2kg5 n ARG 57 Cb 0.16 -2.48 0.00 0.00 -3.04 0.00 0.00 32.46 27.10 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kg5 n GLY 58 N 6.38 1.57 3.58 2.89 0.00 -1.26 -5.07 105.19 113.28 2kg5 n GLY 58 Ca 0.47 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 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 2.16 0.00 0.99 4.32 -0.84 -5.01 117.00 118.62 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 -1.30 0.00 0.00 -1.62 0.00 0.00 43.42 40.50 2kg5 n LEU 59 CO 0.00 -1.84 0.00 0.61 -1.22 0.00 0.00 177.39 174.94 2kg5 n GLY 60 N 1.33 4.26 0.18 -0.72 0.00 -1.26 -5.01 105.19 103.97 2kg5 n GLY 60 Ca 0.10 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 0.75 -0.33 0.00 1.61 3.86 -1.98 -2.23 115.15 116.83 2kg5 h HIS 61 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2kg5 h HIS 61 Cb 0.00 0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2kg5 h HIS 61 CO 0.00 0.03 0.00 1.49 0.86 0.00 0.00 177.93 180.31 2kg5 h GLU 62 N -0.76 0.00 0.22 2.45 4.81 -2.01 -1.72 114.58 117.57 2kg5 h GLU 62 Ca -0.04 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.86 2kg5 h GLU 62 Cb 0.50 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.91 2kg5 h GLU 62 CO 0.06 0.00 -1.51 1.49 -0.73 0.00 0.00 179.01 178.32 2kg5 h GLU 63 N 0.00 0.46 0.00 1.92 4.57 -1.91 -3.30 114.58 116.32 2kg5 h GLU 63 Ca 0.00 -0.78 -0.06 0.00 -1.18 0.00 0.00 59.36 57.34 2kg5 h GLU 63 Cb 0.07 0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2kg5 h GLU 63 CO 0.00 1.37 -0.28 -0.07 -1.18 0.00 0.00 179.01 178.85 2kg5 h LEU 64 N 0.12 0.00 -0.68 1.64 4.07 -0.69 -2.04 115.31 117.73 2kg5 h LEU 64 Ca -0.26 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.65 2kg5 h LEU 64 Cb 2.12 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.83 2kg5 h LEU 64 CO 0.24 0.28 0.22 0.11 -1.08 0.00 0.00 178.44 178.21 2kg5 h LYS 65 N 0.00 1.05 0.00 1.13 1.57 -1.58 -2.30 116.57 116.45 2kg5 h LYS 65 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2kg5 h LYS 65 Cb 0.53 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2kg5 h LYS 65 CO 0.04 0.91 -0.18 0.94 -0.57 0.00 0.00 179.45 180.59 2kg5 n GLN 66 N -4.33 0.15 0.24 3.15 7.27 -1.04 -3.41 117.38 119.41 2kg5 n GLN 66 Ca 0.05 0.10 0.12 0.00 0.07 0.00 0.00 57.00 57.33 2kg5 n GLN 66 Cb 0.21 -1.65 0.53 0.00 2.41 0.00 0.00 30.24 31.75 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 -0.79 -3.46 115.31 116.13 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 0.07 1.48 3.75 0.83 0.00 -1.21 -4.99 105.19 105.13 2kg5 n GLY 68 Ca 0.00 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 -1.73 4.62 -0.04 -0.61 1.01 -1.14 -5.00 121.20 118.31 2kg5 s ILE 69 Ca 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 60.65 60.53 2kg5 s ILE 69 Cb 0.00 -3.02 0.24 0.00 0.01 0.00 0.00 42.46 39.69 2kg5 s ILE 69 CO 0.00 0.51 1.11 -1.20 0.00 0.00 0.00 174.94 175.35 2kg5 n SER 70 N 1.75 0.82 -4.04 3.58 7.64 -1.26 -4.47 113.62 117.64 2kg5 n SER 70 Ca -0.17 -2.32 -0.32 0.00 1.01 0.00 0.00 58.87 57.07 2kg5 n SER 70 Cb 0.53 -0.30 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.66 2.52 0.15 -0.43 0.00 -1.26 -5.00 121.76 117.09 2kg5 s ALA 71 Ca 0.21 -1.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.19 2kg5 s ALA 71 Cb 0.22 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.75 2kg5 s ALA 71 CO -0.07 -1.26 1.79 1.79 0.00 0.00 0.00 175.76 178.01 2kg5 h THR 72 N 6.73 1.03 -0.66 0.00 1.35 -1.99 0.10 112.91 119.48 2kg5 h THR 72 Ca -0.17 -0.15 0.08 0.00 -0.55 0.00 0.00 66.41 65.62 2kg5 h THR 72 Cb 1.04 0.55 -0.04 0.00 -1.73 0.00 0.00 68.15 67.97 2kg5 h THR 72 CO 0.46 0.08 0.44 1.23 -0.25 0.00 0.00 175.52 177.48 2kg5 h GLY 73 N 0.43 0.79 0.73 5.82 0.00 -1.97 -0.62 103.07 108.26 2kg5 h GLY 73 Ca 0.15 -0.24 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 2kg5 h GLY 73 CO -0.08 0.17 -0.78 0.45 0.00 0.00 0.00 176.54 176.30 2kg5 h HIS 74 N 0.60 0.58 -0.04 5.60 -0.00 -1.83 -3.01 115.15 117.05 2kg5 h HIS 74 Ca 0.29 -0.39 0.02 0.00 -0.00 0.00 0.00 60.37 60.30 2kg5 h HIS 74 Cb 0.38 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.73 2kg5 h HIS 74 CO -0.00 1.28 -0.10 -0.09 -0.00 0.00 0.00 177.93 179.02 2kg5 h ARG 75 N -0.28 -0.14 0.00 2.45 2.43 -0.38 -0.52 114.38 117.94 2kg5 h ARG 75 Ca -0.13 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2kg5 h ARG 75 Cb 1.57 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 2kg5 h ARG 75 CO 0.15 -0.09 0.00 0.87 -1.51 0.00 0.00 179.97 179.38 2kg5 h LYS 76 N -0.15 0.00 0.00 0.20 1.57 -1.25 -1.55 116.57 115.39 2kg5 h LYS 76 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2kg5 h LYS 76 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2kg5 h LYS 76 CO -0.13 0.00 -0.43 -0.09 -0.57 0.00 0.00 179.45 178.23 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -0.96 -2.83 114.38 116.17 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 29.78 2kg5 h ARG 77 CO 0.00 0.43 -0.88 -0.89 -1.51 0.00 0.00 179.97 177.12 2kg5 n ILE 78 N -3.25 1.47 -0.09 1.20 5.41 -0.64 -4.10 119.36 119.36 2kg5 n ILE 78 Ca 0.02 0.10 0.15 0.00 1.00 0.00 0.00 62.75 64.02 2kg5 n ILE 78 Cb 0.68 -2.24 0.55 0.00 -0.71 0.00 0.00 39.64 37.92 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 0.28 -2.23 1.39 3.38 -1.56 0.29 115.31 115.86 2kg5 h LEU 79 Ca -0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2kg5 h LEU 79 Cb 0.87 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kg5 h LEU 79 CO -0.10 0.16 -0.03 -0.09 0.09 0.00 0.00 178.44 178.47 2kg5 h ARG 80 N 0.31 0.00 0.01 1.13 2.43 -1.68 -2.46 114.38 114.12 2kg5 h ARG 80 Ca 0.31 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.14 2kg5 h ARG 80 Cb 0.78 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 2kg5 h ARG 80 CO -0.07 0.03 -2.05 -0.11 -1.51 0.00 0.00 179.97 176.26 2kg5 n LEU 81 N -3.28 0.92 -0.29 3.80 7.94 0.93 -4.08 117.00 122.94 2kg5 n LEU 81 Ca -0.02 0.20 -0.00 0.00 -1.11 0.00 0.00 56.01 55.08 2kg5 n LEU 81 Cb 0.19 0.06 0.19 0.00 0.53 0.00 0.00 43.42 44.39 2kg5 n LEU 81 CO 0.25 0.52 1.27 0.25 -1.11 0.00 0.00 177.39 178.57 2kg5 h LEU 82 N 0.01 0.99 -0.04 -1.96 6.46 -0.85 -2.75 115.31 117.16 2kg5 h LEU 82 Ca -0.42 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2kg5 h LEU 82 Cb 2.09 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 41.77 2kg5 h LEU 82 CO 0.05 0.71 0.01 1.56 -0.62 0.00 0.00 178.44 180.15 2kg5 h GLN 83 N 1.17 0.07 -6.97 1.25 4.20 -1.68 -3.46 115.11 109.68 2kg5 h GLN 83 Ca 0.32 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.44 2kg5 h GLN 83 Cb -0.13 -0.01 -0.34 0.00 0.30 0.00 0.00 27.48 27.30 2kg5 h GLN 83 CO -0.07 0.25 -0.83 -2.37 -0.67 0.00 0.00 178.83 175.14 2kg5 n THR 84 N -4.95 -0.09 0.00 -0.54 5.66 -1.04 -4.60 114.28 108.72 2kg5 n THR 84 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2kg5 n THR 84 Cb 0.13 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 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 1.24 3.64 1.09 0.00 -1.26 -4.86 105.19 104.00 2kg5 n GLY 85 Ca 0.11 0.37 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.47 -3.79 2.61 5.66 -1.26 -5.04 114.28 112.92 2kg5 n THR 86 Ca 0.00 -0.08 -0.10 0.00 -3.05 0.00 0.00 64.05 60.83 2kg5 n THR 86 Cb 0.00 -0.99 -0.04 0.00 -1.55 0.00 0.00 70.33 67.75 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 -4.36 1.34 -0.29 1.09 -1.05 -1.26 -4.97 118.70 109.20 2kg5 s GLU 87 Ca 0.67 -0.93 -0.26 0.00 -0.15 0.00 0.00 54.97 54.30 2kg5 s GLU 87 Cb -0.24 0.49 0.19 0.00 -0.44 0.00 0.00 34.13 34.13 2kg5 s GLU 87 CO 0.58 -0.55 1.42 -1.21 0.95 0.00 0.00 175.26 176.44 2kg5 s GLU 88 N -3.89 0.08 0.00 -4.83 2.02 -1.26 -5.12 118.70 105.69 2kg5 s GLU 88 Ca 0.11 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.18 2kg5 s GLU 88 Cb -0.00 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2kg5 s GLU 88 CO -0.02 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.66 2kg5 n GLY 89 N 1.43 -2.76 3.56 -1.39 0.00 -1.26 -5.12 105.19 99.64 2kg5 n GLY 89 Ca -0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -0.62 0.00 1.61 1.04 -1.26 -5.10 113.70 109.37 2kg5 s SER 90 Ca 0.00 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2kg5 s SER 90 Cb 0.00 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.60 2kg5 s SER 90 CO 0.00 -0.14 0.00 -0.11 0.98 0.00 0.00 173.24 173.97 2kg5 n LEU 91 N 4.36 0.00 -3.52 2.42 7.94 -1.26 -5.16 117.00 121.78 2kg5 n LEU 91 Ca -0.15 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.64 2kg5 n LEU 91 Cb 0.55 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.47 2kg5 n LEU 91 CO -0.01 -0.26 0.33 -1.81 -1.11 0.00 0.00 177.39 174.53 2kg5 s ASP 92 N -1.78 -0.45 -0.23 1.96 1.01 -1.26 -5.13 116.67 110.79 2kg5 s ASP 92 Ca 0.00 -0.14 -0.29 0.00 0.71 0.00 0.00 52.55 52.83 2kg5 s ASP 92 Cb 0.00 0.57 -0.02 0.00 1.01 0.00 0.00 42.92 44.47 2kg5 s ASP 92 CO 0.00 -0.96 1.61 -2.16 0.21 0.00 0.00 175.17 173.88 2kg5 s PRO 93 N -3.78 3.77 -0.24 8.23 0.04 -1.26 -4.99 135.00 136.78 2kg5 s PRO 93 Ca 0.02 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 2kg5 s PRO 93 Cb -0.00 -4.04 0.03 0.00 0.04 0.00 0.00 34.50 30.52 2kg5 s PRO 93 CO -0.11 -1.32 -0.09 0.21 0.04 0.00 0.00 177.00 175.73 2kg5 s LYS 94 N 4.72 2.84 -0.29 4.56 2.20 -1.26 -5.08 119.74 127.43 2kg5 s LYS 94 Ca 0.71 -0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 55.17 2kg5 s LYS 94 Cb -0.24 -2.91 0.14 0.00 -1.51 0.00 0.00 37.83 33.30 2kg5 s LYS 94 CO 0.29 -0.37 0.99 -1.12 -0.36 0.00 0.00 175.35 174.78 2kg5 s SER 95 N 1.31 -0.50 -0.30 1.43 0.01 -1.26 -5.06 113.70 109.33 2kg5 s SER 95 Ca 0.00 0.84 -0.17 0.00 1.31 0.00 0.00 55.95 57.94 2kg5 s SER 95 Cb -0.16 1.09 0.18 0.00 0.21 0.00 0.00 66.02 67.34 2kg5 s SER 95 CO -0.06 -0.14 1.17 -1.81 0.41 0.00 0.00 173.24 172.82 2kg5 s ASP 96 N 0.97 -0.24 -0.30 2.44 1.01 -1.26 -5.17 116.67 114.13 2kg5 s ASP 96 Ca -0.05 0.24 -0.17 0.00 0.71 0.00 0.00 52.55 53.28 2kg5 s ASP 96 Cb -0.04 1.24 0.20 0.00 1.01 0.00 0.00 42.92 45.32 2kg5 s ASP 96 CO -0.12 -0.05 1.21 -0.55 0.21 0.00 0.00 175.17 175.87 2kg5 s SER 97 N 2.55 -0.16 -0.30 0.27 0.15 -1.26 -5.16 113.70 109.79 2kg5 s SER 97 Ca -0.03 0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.71 2kg5 s SER 97 Cb -0.06 1.01 0.18 0.00 -1.71 0.00 0.00 66.02 65.44 2kg5 s SER 97 CO -0.13 -0.04 1.12 0.00 1.20 0.00 0.00 173.24 175.39 2kg5 s ALA 98 N 1.04 -3.23 0.04 5.45 0.00 -1.26 -5.08 121.76 118.72 2kg5 s ALA 98 Ca -0.07 1.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 2kg5 s ALA 98 Cb -0.03 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 2kg5 s ALA 98 CO -0.11 -1.18 -0.03 -0.12 0.00 0.00 0.00 175.76 174.32 2kg5 n MET 99 N 5.06 0.05 0.00 0.00 1.56 -1.26 -5.39 117.12 117.14 2kg5 n MET 99 Ca -0.08 0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 2kg5 n MET 99 Cb 0.54 -0.58 0.00 0.00 2.15 0.00 0.00 33.22 35.33 2kg5 n MET 99 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39