#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfx n ASP 2 N 0.00 -7.25 0.00 7.83 8.00 -1.26 -4.91 116.55 118.96 2kfx n ASP 2 Ca 0.00 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2kfx n ASP 2 Cb 0.00 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.11 2kfx n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kfx n ASP 3 N -2.21 0.00 0.21 -2.24 8.00 -1.26 -2.40 116.55 116.65 2kfx n ASP 3 Ca -0.04 0.32 0.03 0.00 0.71 0.00 0.00 54.79 55.80 2kfx n ASP 3 Cb 0.54 -0.36 0.14 0.00 -0.02 0.00 0.00 41.12 41.42 2kfx n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2kfx h ILE 4 N 0.00 0.00 0.00 0.53 -2.65 -2.01 0.55 117.51 113.93 2kfx h ILE 4 Ca 0.00 0.00 -0.23 0.00 1.03 0.00 0.00 64.86 65.66 2kfx h ILE 4 Cb 0.00 0.11 -0.03 0.00 -2.05 0.00 0.00 36.82 34.85 2kfx h ILE 4 CO 0.00 0.00 -1.26 1.88 0.03 0.00 0.00 178.15 178.80 2kfx h TYR 5 N 0.00 0.01 -0.99 0.16 0.05 -1.96 -3.37 116.97 110.87 2kfx h TYR 5 Ca 0.00 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.85 2kfx h TYR 5 Cb 1.34 -0.00 -0.07 0.00 1.01 0.00 0.00 36.73 39.01 2kfx h TYR 5 CO 0.00 1.49 0.64 0.87 -1.05 0.00 0.00 178.16 180.11 2kfx h LYS 6 N -0.97 1.09 -1.00 4.88 1.79 0.42 -1.08 116.57 121.69 2kfx h LYS 6 Ca -0.35 -0.07 0.23 0.00 -2.18 0.00 0.00 60.65 58.29 2kfx h LYS 6 Cb 1.32 -0.24 -0.12 0.00 -1.58 0.00 0.00 32.23 31.61 2kfx h LYS 6 CO -0.20 0.72 0.60 0.00 -1.08 0.00 0.00 179.45 179.49 2kfx h ALA 7 N 1.47 1.76 0.06 3.86 0.00 -1.47 0.19 119.26 125.13 2kfx h ALA 7 Ca 0.45 0.11 -0.23 0.00 0.00 0.00 0.00 54.91 55.24 2kfx h ALA 7 Cb 0.25 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kfx h ALA 7 CO -0.20 -0.20 -0.94 0.00 0.00 0.00 0.00 179.25 177.91 2kfx h ALA 8 N 1.71 0.03 -0.20 0.00 0.00 -1.39 -3.18 119.26 116.23 2kfx h ALA 8 Ca 0.63 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2kfx h ALA 8 Cb 1.13 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kfx h ALA 8 CO -0.45 0.53 0.22 0.28 0.00 0.00 0.00 179.25 179.83 2kfx h VAL 9 N 0.08 0.47 0.00 0.00 2.07 -0.31 0.22 116.25 118.78 2kfx h VAL 9 Ca -0.14 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 2kfx h VAL 9 Cb 1.64 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2kfx h VAL 9 CO 0.18 0.00 -0.59 -0.33 0.02 0.00 0.00 177.57 176.85 2kfx h GLU 10 N 0.00 0.00 0.00 1.57 4.39 -1.05 -2.91 114.58 116.57 2kfx h GLU 10 Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2kfx h GLU 10 Cb 0.53 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2kfx h GLU 10 CO -0.00 0.59 -0.10 1.96 -1.16 0.00 0.00 179.01 180.30 2kfx h GLN 11 N 0.00 0.00 -6.51 2.33 4.20 -0.63 -3.42 115.11 111.09 2kfx h GLN 11 Ca -0.01 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2kfx h GLN 11 Cb 1.16 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.87 2kfx h GLN 11 CO 0.08 0.10 0.93 -0.51 -0.67 0.00 0.00 178.83 178.75 2kfx s LEU 12 N -6.40 3.76 0.61 1.46 1.43 -1.10 -5.02 118.68 113.42 2kfx s LEU 12 Ca 0.02 0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 53.84 2kfx s LEU 12 Cb 0.09 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2kfx s LEU 12 CO 0.60 -1.14 1.00 -0.89 0.23 0.00 0.00 176.35 176.16 2kfx s THR 13 N 4.35 4.62 -2.00 5.49 2.01 -1.26 -4.90 115.64 123.95 2kfx s THR 13 Ca 0.51 0.76 0.04 0.00 0.31 0.00 0.00 61.69 63.30 2kfx s THR 13 Cb -0.11 -3.83 0.12 0.00 0.01 0.00 0.00 72.50 68.69 2kfx s THR 13 CO 0.26 -1.06 0.66 -0.62 -0.69 0.00 0.00 174.62 173.16 2kfx n GLU 14 N -2.71 0.17 -0.08 4.92 1.02 -1.26 -2.33 120.64 120.36 2kfx n GLU 14 Ca 0.05 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.04 2kfx n GLU 14 Cb 0.54 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 2kfx n GLU 14 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kfx h GLU 15 N 0.00 0.00 0.00 3.49 5.08 -2.00 -3.32 114.58 117.82 2kfx h GLU 15 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kfx h GLU 15 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kfx h GLU 15 CO 0.00 0.83 0.00 0.00 -1.00 0.00 0.00 179.01 178.84 2kfx n GLN 16 N -4.55 0.88 -0.02 2.33 -0.00 -0.99 -2.78 117.38 112.26 2kfx n GLN 16 Ca -0.19 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 56.84 2kfx n GLN 16 Cb 0.51 -1.22 -0.14 0.00 -0.00 0.00 0.00 30.24 29.40 2kfx n GLN 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2kfx n LYS 17 N -0.72 0.66 0.22 2.61 5.02 -1.21 -4.19 118.16 120.56 2kfx n LYS 17 Ca 0.09 -0.04 0.15 0.00 -2.02 0.00 0.00 58.31 56.49 2kfx n LYS 17 Cb 0.04 -1.60 0.81 0.00 -0.02 0.00 0.00 35.03 34.27 2kfx n LYS 17 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2kfx h ASN 18 N 0.00 0.00 0.03 4.39 -0.26 -1.62 0.09 115.58 118.22 2kfx h ASN 18 Ca -0.19 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.49 2kfx h ASN 18 Cb 1.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.73 2kfx h ASN 18 CO 0.02 0.00 -0.30 1.05 -1.06 0.00 0.00 177.43 177.13 2kfx h GLU 19 N 0.00 0.07 0.75 0.81 9.09 -1.78 -3.22 114.58 120.30 2kfx h GLU 19 Ca 0.06 -0.12 -0.04 0.00 0.05 0.00 0.00 59.36 59.32 2kfx h GLU 19 Cb 0.31 0.04 0.01 0.00 -1.65 0.00 0.00 28.75 27.46 2kfx h GLU 19 CO -0.00 1.06 -0.36 0.74 0.05 0.00 0.00 179.01 180.50 2kfx h PHE 20 N -0.85 -0.93 -0.64 2.06 0.04 -1.59 -1.23 116.94 113.80 2kfx h PHE 20 Ca -0.06 -0.02 0.19 0.00 2.80 0.00 0.00 57.97 60.87 2kfx h PHE 20 Cb 1.18 0.31 -0.03 0.00 2.20 0.00 0.00 35.95 39.61 2kfx h PHE 20 CO 0.25 -0.57 0.73 0.87 -0.60 0.00 0.00 178.31 178.98 2kfx h LYS 21 N -1.01 0.00 0.16 1.51 1.57 -1.17 0.47 116.57 118.09 2kfx h LYS 21 Ca -0.10 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.44 2kfx h LYS 21 Cb 0.77 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.11 2kfx h LYS 21 CO 0.17 0.00 -1.01 0.00 -0.57 0.00 0.00 179.45 178.04 2kfx h ALA 22 N 1.15 -0.09 -0.47 3.86 0.00 -1.33 -3.34 119.26 119.04 2kfx h ALA 22 Ca 0.31 -0.73 0.09 0.00 0.00 0.00 0.00 54.91 54.57 2kfx h ALA 22 Cb 1.76 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.56 2kfx h ALA 22 CO -0.00 0.48 -0.31 0.00 0.00 0.00 0.00 179.25 179.42 2kfx h ALA 23 N 0.14 -0.09 -0.76 0.00 0.00 0.11 -1.56 119.26 117.09 2kfx h ALA 23 Ca -0.17 0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2kfx h ALA 23 Cb 1.78 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 20.15 2kfx h ALA 23 CO 0.19 -0.68 -0.49 0.74 0.00 0.00 0.00 179.25 179.00 2kfx h PHE 24 N -0.20 -1.50 -1.33 0.00 0.04 -1.64 0.83 116.94 113.13 2kfx h PHE 24 Ca 0.20 0.10 0.41 0.00 2.80 0.00 0.00 57.97 61.48 2kfx h PHE 24 Cb 0.53 0.76 -0.10 0.00 2.20 0.00 0.00 35.95 39.34 2kfx h PHE 24 CO -0.56 -0.41 0.89 -0.44 -0.60 0.00 0.00 178.31 177.19 2kfx h ASP 25 N -0.14 0.21 0.35 2.17 3.32 -1.41 0.82 116.42 121.75 2kfx h ASP 25 Ca 0.19 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2kfx h ASP 25 Cb 0.53 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2kfx h ASP 25 CO -0.81 -0.08 -0.17 0.40 -1.72 0.00 0.00 179.24 176.86 2kfx h ILE 26 N 0.12 0.24 0.00 0.35 1.08 0.79 0.77 117.51 120.85 2kfx h ILE 26 Ca 0.75 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2kfx h ILE 26 Cb 2.48 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 36.61 2kfx h ILE 26 CO -0.28 0.06 0.17 -0.26 -0.69 0.00 0.00 178.15 177.15 2kfx h PHE 27 N -1.06 0.00 -1.25 1.37 0.04 -0.33 -3.16 116.94 112.54 2kfx h PHE 27 Ca -0.05 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.34 2kfx h PHE 27 Cb 0.46 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 38.34 2kfx h PHE 27 CO 0.02 0.00 -0.77 1.33 -0.60 0.00 0.00 178.31 178.29 2kfx n VAL 28 N -2.50 -0.45 -0.60 -0.55 0.24 0.09 -4.67 118.33 109.90 2kfx n VAL 28 Ca -0.02 -2.52 -0.05 0.00 -2.04 0.00 0.00 64.34 59.71 2kfx n VAL 28 Cb 0.21 -0.24 0.24 0.00 -1.47 0.00 0.00 33.84 32.58 2kfx n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kfx n LEU 29 N 2.06 5.25 0.00 1.34 -0.00 0.25 -4.06 117.00 121.85 2kfx n LEU 29 Ca 0.18 -2.73 0.00 0.00 -0.00 0.00 0.00 56.01 53.47 2kfx n LEU 29 Cb 0.56 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 2kfx n LEU 29 CO 0.08 0.71 0.00 0.61 -0.00 0.00 0.00 177.39 178.79 2kfx n GLY 30 N -0.07 0.79 3.87 1.47 0.00 -1.26 -5.08 105.19 104.90 2kfx n GLY 30 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 2kfx n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfx s ALA 31 N 0.00 2.54 0.00 4.61 0.00 -1.26 -5.04 121.76 122.62 2kfx s ALA 31 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2kfx s ALA 31 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2kfx s ALA 31 CO 0.00 -1.61 0.30 0.39 0.00 0.00 0.00 175.76 174.84 2kfx n GLU 32 N -3.31 0.00 0.00 0.00 1.02 -1.26 -4.73 120.64 112.37 2kfx n GLU 32 Ca 0.07 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2kfx n GLU 32 Cb 0.59 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 2kfx n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kfx n ASP 33 N -1.77 0.00 0.00 1.62 5.75 -1.26 -5.01 116.55 115.88 2kfx n ASP 33 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 2kfx n ASP 33 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 2kfx n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kfx n GLY 34 N 2.09 0.00 3.70 6.12 0.00 -1.26 -5.14 105.19 110.69 2kfx n GLY 34 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2kfx n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfx s SER 35 N 0.00 7.13 0.46 1.61 1.04 -1.26 -4.94 113.70 117.74 2kfx s SER 35 Ca 0.00 1.37 -0.08 0.00 0.48 0.00 0.00 55.95 57.73 2kfx s SER 35 Cb 0.00 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 2kfx s SER 35 CO 0.00 -0.30 0.80 -0.63 0.98 0.00 0.00 173.24 174.09 2kfx s ILE 36 N 1.49 4.85 0.21 -1.02 1.01 -1.26 -4.96 121.20 121.52 2kfx s ILE 36 Ca 0.44 0.41 -0.19 0.00 0.00 0.00 0.00 60.65 61.30 2kfx s ILE 36 Cb -0.18 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.50 2kfx s ILE 36 CO 0.19 -0.75 0.58 -0.55 0.00 0.00 0.00 174.94 174.41 2kfx s SER 37 N -3.76 -0.31 0.00 3.58 0.15 -1.26 -3.72 113.70 108.39 2kfx s SER 37 Ca 0.49 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2kfx s SER 37 Cb -0.10 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2kfx s SER 37 CO 0.40 -1.12 0.70 0.35 1.20 0.00 0.00 173.24 174.77 2kfx n THR 38 N -0.38 0.97 -0.06 6.45 -2.24 -1.26 -1.49 114.28 116.27 2kfx n THR 38 Ca -0.09 0.34 -0.04 0.00 -2.27 0.00 0.00 64.05 61.99 2kfx n THR 38 Cb 0.62 -1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 2kfx n THR 38 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2kfx h LYS 39 N 0.00 0.00 -0.12 -0.78 1.57 -1.96 -3.35 116.57 111.92 2kfx h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kfx h LYS 39 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2kfx h LYS 39 CO 0.00 0.22 0.00 0.39 -0.57 0.00 0.00 179.45 179.49 2kfx n GLU 40 N -4.72 1.44 0.00 3.15 -0.58 -0.69 -4.25 120.64 115.00 2kfx n GLU 40 Ca -0.03 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 2kfx n GLU 40 Cb 0.14 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2kfx n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2kfx n LEU 41 N -0.08 0.15 0.09 -4.62 -0.00 -0.56 -3.52 117.00 108.46 2kfx n LEU 41 Ca 0.13 0.56 0.02 0.00 -0.00 0.00 0.00 56.01 56.72 2kfx n LEU 41 Cb 0.21 -0.47 0.12 0.00 -0.00 0.00 0.00 43.42 43.28 2kfx n LEU 41 CO 0.10 -0.47 0.65 0.61 -0.00 0.00 0.00 177.39 178.28 2kfx n GLY 42 N 1.49 -0.34 0.21 -3.96 0.00 -1.26 0.55 105.19 101.87 2kfx n GLY 42 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2kfx n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kfx h LYS 43 N 0.00 0.73 0.12 1.61 3.64 -1.75 -2.74 116.57 118.17 2kfx h LYS 43 Ca 0.00 -0.61 -0.19 0.00 -1.27 0.00 0.00 60.65 58.58 2kfx h LYS 43 Cb 0.79 0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2kfx h LYS 43 CO 0.00 1.22 -0.81 0.28 -2.27 0.00 0.00 179.45 177.87 2kfx h VAL 44 N 0.43 1.49 0.00 2.00 2.07 0.02 -3.20 116.25 119.06 2kfx h VAL 44 Ca -0.06 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2kfx h VAL 44 Cb 1.38 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 2kfx h VAL 44 CO 0.15 0.70 0.00 0.23 0.02 0.00 0.00 177.57 178.68 2kfx n MET 45 N -4.12 0.07 -0.02 1.57 2.81 -1.05 -1.64 117.12 114.74 2kfx n MET 45 Ca -0.13 0.50 -0.09 0.00 -1.81 0.00 0.00 57.70 56.17 2kfx n MET 45 Cb 0.81 -1.70 0.08 0.00 -0.71 0.00 0.00 33.22 31.69 2kfx n MET 45 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2kfx h ARG 46 N 0.00 0.60 -0.61 0.03 2.43 -1.48 -2.91 114.38 112.44 2kfx h ARG 46 Ca 0.00 -0.33 0.06 0.00 -0.81 0.00 0.00 59.98 58.90 2kfx h ARG 46 Cb 0.09 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 2kfx h ARG 46 CO 0.00 0.93 0.40 0.52 -1.51 0.00 0.00 179.97 180.31 2kfx h MET 47 N 0.48 0.59 0.00 0.20 2.86 -1.47 -3.28 114.93 114.32 2kfx h MET 47 Ca 0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kfx h MET 47 Cb 0.97 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2kfx h MET 47 CO 0.09 0.39 0.00 1.28 1.06 0.00 0.00 176.91 179.73 2kfx n LEU 48 N -4.47 1.47 0.00 1.22 4.32 -1.11 -4.98 117.00 113.44 2kfx n LEU 48 Ca 0.08 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 2kfx n LEU 48 Cb 0.22 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 2kfx n LEU 48 CO 0.34 -0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 2kfx n GLY 49 N 1.00 0.00 3.16 -0.72 0.00 -1.18 -5.17 105.19 102.28 2kfx n GLY 49 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2kfx n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfx s GLN 50 N 0.00 0.88 -0.36 1.61 -1.52 -1.15 -5.07 119.66 114.04 2kfx s GLN 50 Ca 0.00 -1.35 0.05 0.00 -1.95 0.00 0.00 55.36 52.10 2kfx s GLN 50 Cb 0.00 0.25 0.32 0.00 -0.22 0.00 0.00 33.01 33.37 2kfx s GLN 50 CO 0.00 -0.25 1.32 -1.71 -0.25 0.00 0.00 175.29 174.41 2kfx n ASN 51 N -0.06 -1.54 -3.63 5.90 2.85 -1.26 -3.85 115.26 113.67 2kfx n ASN 51 Ca -0.08 -2.37 -0.27 0.00 -0.11 0.00 0.00 54.58 51.75 2kfx n ASN 51 Cb 0.63 1.37 0.20 0.00 1.24 0.00 0.00 39.78 43.21 2kfx n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2kfx n PRO 52 N 0.47 -1.75 -2.43 1.20 -0.04 -1.26 -5.04 135.00 126.14 2kfx n PRO 52 Ca -0.02 -1.76 -0.33 0.00 -0.04 0.00 0.00 63.50 61.35 2kfx n PRO 52 Cb 0.74 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 2kfx n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2kfx s THR 53 N -3.35 4.31 -1.63 0.52 -1.32 -1.26 -4.92 115.64 107.99 2kfx s THR 53 Ca 0.67 1.20 0.11 0.00 -1.21 0.00 0.00 61.69 62.45 2kfx s THR 53 Cb -0.03 -3.61 0.23 0.00 -1.51 0.00 0.00 72.50 67.57 2kfx s THR 53 CO 0.48 -0.54 1.18 -0.81 -2.21 0.00 0.00 174.62 172.71 2kfx n PRO 54 N -1.42 0.22 0.09 7.08 -0.04 -1.26 -2.14 135.00 137.52 2kfx n PRO 54 Ca 0.07 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.50 2kfx n PRO 54 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 2kfx n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kfx h GLU 55 N 0.00 0.24 0.23 0.54 4.81 -1.96 -3.00 114.58 115.44 2kfx h GLU 55 Ca 0.00 -0.41 -0.34 0.00 -0.13 0.00 0.00 59.36 58.48 2kfx h GLU 55 Cb 0.06 0.15 0.03 0.00 0.63 0.00 0.00 28.75 29.62 2kfx h GLU 55 CO 0.00 1.16 -1.57 0.93 -0.73 0.00 0.00 179.01 178.80 2kfx h GLU 56 N 0.06 0.49 -0.84 1.92 5.08 -1.82 -3.33 114.58 116.15 2kfx h GLU 56 Ca -0.15 -0.83 -0.02 0.00 -1.00 0.00 0.00 59.36 57.36 2kfx h GLU 56 Cb 1.97 0.31 -0.04 0.00 0.50 0.00 0.00 28.75 31.49 2kfx h GLU 56 CO 0.19 1.40 0.45 -0.07 -1.00 0.00 0.00 179.01 179.98 2kfx h LEU 57 N 0.13 1.05 -1.95 1.33 3.38 -1.67 -1.84 115.31 115.75 2kfx h LEU 57 Ca -0.28 -0.10 0.37 0.00 0.09 0.00 0.00 57.88 57.95 2kfx h LEU 57 Cb 2.15 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 42.57 2kfx h LEU 57 CO 0.24 0.85 0.90 -0.61 0.09 0.00 0.00 178.44 179.92 2kfx h GLN 58 N 1.17 0.03 -0.48 1.13 5.75 -1.63 0.95 115.11 122.02 2kfx h GLN 58 Ca 0.29 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.88 2kfx h GLN 58 Cb 0.04 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2kfx h GLN 58 CO -0.05 0.02 0.33 0.93 -2.65 0.00 0.00 178.83 177.41 2kfx h GLU 59 N 0.03 0.28 0.16 1.69 5.08 -1.49 0.48 114.58 120.81 2kfx h GLU 59 Ca 0.61 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.65 2kfx h GLU 59 Cb 2.39 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 31.61 2kfx h GLU 59 CO -0.03 0.19 -1.31 0.52 -1.00 0.00 0.00 179.01 177.37 2kfx h MET 60 N 0.29 0.61 0.00 2.33 2.86 0.78 -3.12 114.93 118.68 2kfx h MET 60 Ca 0.22 -0.86 0.00 0.00 -2.06 0.00 0.00 59.70 57.00 2kfx h MET 60 Cb 0.50 0.30 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2kfx h MET 60 CO -0.05 1.40 0.00 -0.89 1.06 0.00 0.00 176.91 178.43 2kfx n ILE 61 N -3.78 0.22 -0.05 -1.22 -0.00 -0.57 -3.70 119.36 110.25 2kfx n ILE 61 Ca -0.15 0.05 -0.01 0.00 -0.00 0.00 0.00 62.75 62.65 2kfx n ILE 61 Cb 1.02 -0.62 -0.00 0.00 -0.00 0.00 0.00 39.64 40.04 2kfx n ILE 61 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2kfx h ASP 62 N 0.00 0.00 -0.94 4.38 3.58 -0.05 -2.24 116.42 121.15 2kfx h ASP 62 Ca 0.00 -0.00 0.27 0.00 0.42 0.00 0.00 57.03 57.72 2kfx h ASP 62 Cb 0.39 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.30 2kfx h ASP 62 CO 0.00 0.54 0.40 1.05 -2.88 0.00 0.00 179.24 178.35 2kfx h GLU 63 N -1.00 0.28 -0.06 0.28 4.11 -1.63 0.78 114.58 117.34 2kfx h GLU 63 Ca -0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.28 2kfx h GLU 63 Cb 0.08 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2kfx h GLU 63 CO -0.00 0.19 -0.49 -0.39 0.07 0.00 0.00 179.01 178.39 2kfx h VAL 64 N 0.29 1.40 -0.38 -1.06 -1.51 -1.70 -3.39 116.25 109.90 2kfx h VAL 64 Ca 0.63 -1.88 -0.19 0.00 -1.23 0.00 0.00 66.70 64.03 2kfx h VAL 64 Cb 1.33 2.35 -0.02 0.00 -2.13 0.00 0.00 31.29 32.81 2kfx h VAL 64 CO -0.62 0.55 0.58 -1.81 -1.23 0.00 0.00 177.57 175.04 2kfx s ASP 65 N -6.63 4.40 0.31 4.19 1.11 0.27 -4.70 116.67 115.62 2kfx s ASP 65 Ca -0.13 -1.10 0.03 0.00 0.18 0.00 0.00 52.55 51.53 2kfx s ASP 65 Cb 0.04 -2.58 0.52 0.00 1.07 0.00 0.00 42.92 41.97 2kfx s ASP 65 CO 0.81 -3.66 1.83 -0.33 1.18 0.00 0.00 175.17 175.00 2kfx h GLU 66 N 10.90 0.58 0.00 8.23 4.39 -1.77 -2.46 114.58 134.45 2kfx h GLU 66 Ca 0.11 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 2kfx h GLU 66 Cb 0.97 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 2kfx h GLU 66 CO 1.13 0.62 -0.79 0.38 -1.16 0.00 0.00 179.01 179.20 2kfx h ASP 67 N 0.55 0.00 -0.30 1.42 3.04 -1.93 -3.48 116.42 115.72 2kfx h ASP 67 Ca 0.11 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 2kfx h ASP 67 Cb 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 2kfx h ASP 67 CO 0.02 0.70 0.00 0.61 -2.04 0.00 0.00 179.24 178.53 2kfx n GLY 68 N 1.29 0.74 0.21 7.15 0.00 -0.93 -4.96 105.19 108.69 2kfx n GLY 68 Ca -0.00 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.43 2kfx n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kfx h SER 69 N 0.00 0.00 -0.94 1.61 4.64 -1.93 -3.48 113.55 113.46 2kfx h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kfx h SER 69 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2kfx h SER 69 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2kfx n GLY 70 N 1.12 0.96 3.35 -0.77 0.00 -1.26 -5.07 105.19 103.51 2kfx n GLY 70 Ca 0.04 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2kfx n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kfx s THR 71 N -2.93 -0.06 -1.12 2.61 -4.23 -1.26 -4.72 115.64 103.92 2kfx s THR 71 Ca 0.00 0.08 -0.19 0.00 -1.18 0.00 0.00 61.69 60.40 2kfx s THR 71 Cb 0.00 -0.69 0.09 0.00 1.34 0.00 0.00 72.50 73.24 2kfx s THR 71 CO 0.00 0.03 1.48 -0.69 -0.54 0.00 0.00 174.62 174.90 2kfx s VAL 72 N 1.52 4.34 0.63 2.29 1.01 -1.24 -4.81 120.40 124.13 2kfx s VAL 72 Ca -0.09 -1.62 -0.16 0.00 0.00 0.00 0.00 61.98 60.11 2kfx s VAL 72 Cb -0.08 -5.02 -0.02 0.00 0.00 0.00 0.00 36.38 31.26 2kfx s VAL 72 CO -0.14 -1.83 1.10 1.51 0.00 0.00 0.00 175.10 175.74 2kfx s ASP 73 N 4.09 5.33 0.25 3.32 -4.77 -1.26 -4.48 116.67 119.15 2kfx s ASP 73 Ca 0.45 2.00 0.17 0.00 -3.30 0.00 0.00 52.55 51.87 2kfx s ASP 73 Cb -0.00 -2.55 0.91 0.00 -1.09 0.00 0.00 42.92 40.19 2kfx s ASP 73 CO -0.02 -1.48 1.52 0.33 0.70 0.00 0.00 175.17 176.21 2kfx n PHE 74 N -2.16 0.57 -0.02 2.11 -0.00 -1.26 -1.12 117.46 115.58 2kfx n PHE 74 Ca 0.10 0.30 -0.00 0.00 -0.00 0.00 0.00 57.45 57.85 2kfx n PHE 74 Cb 0.52 -0.98 -0.00 0.00 -0.00 0.00 0.00 39.48 39.02 2kfx n PHE 74 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 2kfx h ASP 75 N 0.00 -0.02 0.46 -2.13 3.32 -1.99 -3.34 116.42 112.72 2kfx h ASP 75 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kfx h ASP 75 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2kfx h ASP 75 CO 0.00 0.26 0.00 -1.84 -1.72 0.00 0.00 179.24 175.94 2kfx n GLU 76 N -3.57 0.02 0.29 3.56 0.28 -1.13 -3.15 120.64 116.94 2kfx n GLU 76 Ca -0.00 0.29 -0.16 0.00 -0.16 0.00 0.00 57.16 57.13 2kfx n GLU 76 Cb 0.01 -1.54 -0.08 0.00 1.43 0.00 0.00 31.44 31.26 2kfx n GLU 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2kfx h PHE 77 N 0.00 -0.66 -0.95 -1.84 3.57 -1.24 -2.85 116.94 112.98 2kfx h PHE 77 Ca 0.00 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.66 2kfx h PHE 77 Cb 0.23 0.22 -0.10 0.00 2.79 0.00 0.00 35.95 39.08 2kfx h PHE 77 CO 0.00 -0.36 0.54 -0.07 -2.23 0.00 0.00 178.31 176.19 2kfx h LEU 78 N -0.84 0.67 -1.77 0.59 3.38 -1.67 0.38 115.31 116.04 2kfx h LEU 78 Ca -0.07 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.09 2kfx h LEU 78 Cb 0.60 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2kfx h LEU 78 CO 0.12 0.23 0.33 0.58 0.09 0.00 0.00 178.44 179.79 2kfx h VAL 79 N 0.69 0.89 -0.50 1.22 2.07 -1.64 0.25 116.25 119.22 2kfx h VAL 79 Ca 0.54 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.99 2kfx h VAL 79 Cb 0.84 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2kfx h VAL 79 CO -0.39 0.05 0.33 -0.03 0.02 0.00 0.00 177.57 177.55 2kfx h MET 80 N 0.27 0.59 0.00 1.57 -1.53 -0.01 -1.54 114.93 114.28 2kfx h MET 80 Ca 0.22 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.45 2kfx h MET 80 Cb 0.53 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 31.44 2kfx h MET 80 CO -0.05 0.39 -0.03 0.52 0.14 0.00 0.00 176.91 177.89 2kfx h MET 81 N 0.61 0.00 -0.95 0.39 2.07 -0.98 -3.08 114.93 112.99 2kfx h MET 81 Ca 0.19 0.00 0.30 0.00 -2.07 0.00 0.00 59.70 58.12 2kfx h MET 81 Cb 0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 31.60 29.60 2kfx h MET 81 CO -0.05 0.02 0.32 0.28 1.07 0.00 0.00 176.91 178.56 2kfx h VAL 82 N -1.00 0.18 0.00 -2.22 2.07 -1.35 0.58 116.25 114.51 2kfx h VAL 82 Ca -0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2kfx h VAL 82 Cb 0.05 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2kfx h VAL 82 CO -0.00 0.03 0.00 0.54 0.02 0.00 0.00 177.57 178.16 2kfx n ARG 83 N -5.26 0.00 -0.38 1.57 1.74 -0.58 0.17 116.66 113.92 2kfx n ARG 83 Ca 0.27 0.45 0.37 0.00 -0.77 0.00 0.00 57.85 58.18 2kfx n ARG 83 Cb 0.89 -1.36 0.74 0.00 -1.02 0.00 0.00 32.46 31.71 2kfx n ARG 83 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2kfx h SER 84 N 0.00 0.05 0.00 0.55 0.02 -1.30 1.26 113.55 114.12 2kfx h SER 84 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2kfx h SER 84 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2kfx h SER 84 CO 0.00 0.00 0.00 0.23 -1.14 0.00 0.00 176.83 175.92 2kfx n MET 85 N -4.20 0.00 0.10 3.45 2.81 0.20 -1.88 117.12 117.60 2kfx n MET 85 Ca 0.29 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.21 2kfx n MET 85 Cb 1.33 -0.34 0.20 0.00 -0.71 0.00 0.00 33.22 33.69 2kfx n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2kfx n LYS 86 N -0.31 0.05 -3.21 0.03 4.81 0.13 -3.47 118.16 116.18 2kfx n LYS 86 Ca 0.00 0.45 -0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2kfx n LYS 86 Cb 0.00 -1.98 -0.02 0.00 0.02 0.00 0.00 35.03 33.05 2kfx n LYS 86 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kfx s ASP 87 N -3.00 -1.21 -0.31 3.14 1.01 0.43 -5.03 116.67 111.69 2kfx s ASP 87 Ca -0.01 -0.62 -0.29 0.00 0.71 0.00 0.00 52.55 52.35 2kfx s ASP 87 Cb 0.02 1.81 0.01 0.00 1.01 0.00 0.00 42.92 45.78 2kfx s ASP 87 CO 0.07 -0.22 1.12 1.51 0.21 0.00 0.00 175.17 177.85 2kfx s ASP 88 N 2.07 6.89 0.00 0.27 -4.77 -0.79 -3.08 116.67 117.26 2kfx s ASP 88 Ca 0.14 1.10 0.00 0.00 -3.30 0.00 0.00 52.55 50.49 2kfx s ASP 88 Cb -0.07 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2kfx s ASP 88 CO -0.12 -0.91 0.00 -1.54 0.70 0.00 0.00 175.17 173.30