#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 -3.34 -0.01 7.83 8.00 -1.26 -4.84 116.55 122.92 2kfx n ASP 2 Ca 0.00 -0.69 -0.17 0.00 0.71 0.00 0.00 54.79 54.64 2kfx n ASP 2 Cb 0.00 -2.76 -0.14 0.00 -0.02 0.00 0.00 41.12 38.20 2kfx n ASP 2 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2kfx h ASP 3 N -1.19 0.22 0.00 -2.24 5.19 -2.07 -3.26 116.42 113.07 2kfx h ASP 3 Ca -0.50 -0.96 0.00 0.00 -0.62 0.00 0.00 57.03 54.95 2kfx h ASP 3 Cb 1.33 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2kfx h ASP 3 CO 0.65 1.17 0.61 0.16 -3.12 0.00 0.00 179.24 178.71 2kfx h ILE 4 N -0.69 0.00 0.00 0.35 -2.65 -2.02 0.47 117.51 112.96 2kfx h ILE 4 Ca -0.06 0.00 -0.20 0.00 1.03 0.00 0.00 64.86 65.62 2kfx h ILE 4 Cb 1.28 0.11 -0.03 0.00 -2.05 0.00 0.00 36.82 36.13 2kfx h ILE 4 CO 0.07 0.00 -1.11 1.88 0.03 0.00 0.00 178.15 179.02 2kfx h TYR 5 N 0.00 0.00 -1.27 0.16 0.05 -1.95 -3.35 116.97 110.61 2kfx h TYR 5 Ca 0.00 -0.00 0.37 0.00 0.05 0.00 0.00 58.73 59.15 2kfx h TYR 5 Cb 1.23 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.92 2kfx h TYR 5 CO 0.00 1.44 0.95 0.87 -1.05 0.00 0.00 178.16 180.37 2kfx h LYS 6 N -0.99 0.00 -0.83 4.88 1.79 -0.15 0.67 116.57 121.93 2kfx h LYS 6 Ca -0.31 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 2kfx h LYS 6 Cb 1.27 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.88 2kfx h LYS 6 CO -0.18 0.00 0.48 0.00 -1.08 0.00 0.00 179.45 178.67 2kfx h ALA 7 N 1.30 1.06 0.00 3.86 0.00 -1.66 -1.27 119.26 122.55 2kfx h ALA 7 Ca 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2kfx h ALA 7 Cb 2.50 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.96 2kfx h ALA 7 CO -0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2kfx n ALA 8 N -2.37 2.29 0.02 0.00 0.00 0.23 -3.57 120.51 117.11 2kfx n ALA 8 Ca 0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 2kfx n ALA 8 Cb 0.07 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 2kfx n ALA 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kfx h VAL 9 N 0.00 1.46 0.00 0.00 2.07 -0.67 -3.18 116.25 115.93 2kfx h VAL 9 Ca 0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2kfx h VAL 9 Cb 0.71 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 2kfx h VAL 9 CO 0.00 0.65 0.00 -0.33 0.02 0.00 0.00 177.57 177.91 2kfx h GLU 10 N -0.22 0.00 0.00 1.57 4.39 -1.41 0.75 114.58 119.66 2kfx h GLU 10 Ca -0.10 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 2kfx h GLU 10 Cb 1.45 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.09 2kfx h GLU 10 CO 0.13 0.00 -0.28 1.96 -1.16 0.00 0.00 179.01 179.67 2kfx h GLN 11 N 0.00 0.00 -6.14 2.33 4.20 -1.65 -3.43 115.11 110.41 2kfx h GLN 11 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2kfx h GLN 11 Cb 0.03 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 2kfx h GLN 11 CO 0.00 0.28 0.73 -0.51 -0.67 0.00 0.00 178.83 178.66 2kfx s LEU 12 N -6.41 4.15 0.65 1.46 1.43 0.25 -5.03 118.68 115.19 2kfx s LEU 12 Ca 0.04 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 2kfx s LEU 12 Cb 0.07 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 2kfx s LEU 12 CO 0.70 -0.60 1.05 -0.89 0.23 0.00 0.00 176.35 176.84 2kfx s THR 13 N 2.83 4.13 -2.00 5.49 2.01 -1.26 -4.88 115.64 121.95 2kfx s THR 13 Ca 0.46 0.77 0.04 0.00 0.31 0.00 0.00 61.69 63.27 2kfx s THR 13 Cb -0.16 -3.49 0.12 0.00 0.01 0.00 0.00 72.50 68.97 2kfx s THR 13 CO 0.10 -0.83 0.62 -0.62 -0.69 0.00 0.00 174.62 173.20 2kfx n GLU 14 N -2.77 0.32 -0.08 4.92 1.02 -1.26 -2.75 120.64 120.03 2kfx n GLU 14 Ca 0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 2kfx n GLU 14 Cb 0.53 -1.21 -0.07 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.02 -3.35 114.58 117.78 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 0.53 0.00 0.00 -1.00 0.00 0.00 179.01 178.54 2kfx n GLN 16 N -4.55 0.05 0.03 2.33 -0.00 -1.11 -2.62 117.38 111.51 2kfx n GLN 16 Ca -0.18 0.27 -0.13 0.00 -0.00 0.00 0.00 57.00 56.96 2kfx n GLN 16 Cb 0.44 -1.60 -0.02 0.00 -0.00 0.00 0.00 30.24 29.06 2kfx n GLN 16 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2kfx h LYS 17 N 0.00 0.53 0.00 2.61 1.57 -1.70 -3.00 116.57 116.58 2kfx h LYS 17 Ca 0.00 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2kfx h LYS 17 Cb 0.31 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2kfx h LYS 17 CO 0.00 1.10 0.00 -0.91 -0.57 0.00 0.00 179.45 179.07 2kfx h ASN 18 N 0.34 0.00 -0.05 0.86 -0.26 -1.64 -2.69 115.58 112.15 2kfx h ASN 18 Ca -0.05 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.52 2kfx h ASN 18 Cb 1.42 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.68 2kfx h ASN 18 CO 0.15 0.00 -0.56 -0.33 -1.06 0.00 0.00 177.43 175.63 2kfx h GLU 19 N 0.00 0.64 0.13 0.81 4.39 -1.61 -3.09 114.58 115.86 2kfx h GLU 19 Ca 0.00 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 2kfx h GLU 19 Cb 0.49 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2kfx h GLU 19 CO 0.00 1.03 -0.06 0.74 -1.16 0.00 0.00 179.01 179.56 2kfx h PHE 20 N 0.49 -0.16 -0.26 4.33 0.04 -1.54 -3.24 116.94 116.61 2kfx h PHE 20 Ca 0.01 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.85 2kfx h PHE 20 Cb 1.12 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2kfx h PHE 20 CO 0.05 0.04 0.86 0.87 -0.60 0.00 0.00 178.31 179.53 2kfx h LYS 21 N -1.02 0.00 -0.02 1.51 1.57 -1.60 1.81 116.57 118.81 2kfx h LYS 21 Ca -0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2kfx h LYS 21 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2kfx h LYS 21 CO 0.03 0.00 -0.92 0.00 -0.57 0.00 0.00 179.45 177.99 2kfx h ALA 22 N 0.53 0.36 -0.47 3.86 0.00 -1.56 -3.23 119.26 118.75 2kfx h ALA 22 Ca 0.12 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 2kfx h ALA 22 Cb 1.83 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2kfx h ALA 22 CO -0.00 0.79 -0.14 0.00 0.00 0.00 0.00 179.25 179.89 2kfx h ALA 23 N 0.71 0.64 -0.13 0.00 0.00 0.27 -3.19 119.26 117.56 2kfx h ALA 23 Ca -0.08 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2kfx h ALA 23 Cb 1.56 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2kfx h ALA 23 CO 0.16 0.57 -0.41 0.74 0.00 0.00 0.00 179.25 180.31 2kfx h PHE 24 N 0.76 -1.17 -1.62 0.00 -1.00 -1.52 0.15 116.94 112.54 2kfx h PHE 24 Ca 0.11 0.05 0.49 0.00 2.81 0.00 0.00 57.97 61.43 2kfx h PHE 24 Cb 0.70 0.53 -0.09 0.00 3.61 0.00 0.00 35.95 40.70 2kfx h PHE 24 CO 0.05 -0.47 1.13 -0.44 -1.61 0.00 0.00 178.31 176.97 2kfx h ASP 25 N -0.49 0.09 0.10 2.17 3.32 -1.57 0.31 116.42 120.37 2kfx h ASP 25 Ca 0.08 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2kfx h ASP 25 Cb 0.62 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2kfx h ASP 25 CO -0.39 -0.07 -0.05 0.40 -1.72 0.00 0.00 179.24 177.41 2kfx h ILE 26 N 0.03 0.97 0.00 0.35 1.08 -0.81 0.18 117.51 119.31 2kfx h ILE 26 Ca 0.85 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2kfx h ILE 26 Cb 3.12 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 38.56 2kfx h ILE 26 CO -0.17 0.28 0.12 0.49 -0.69 0.00 0.00 178.15 178.18 2kfx n PHE 27 N -4.84 0.50 -2.87 1.37 3.72 0.98 -2.50 117.46 113.81 2kfx n PHE 27 Ca -0.07 0.26 -0.12 0.00 -0.05 0.00 0.00 57.45 57.47 2kfx n PHE 27 Cb 0.28 -0.83 0.04 0.00 -0.94 0.00 0.00 39.48 38.03 2kfx n PHE 27 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2kfx n VAL 28 N -2.03 0.11 0.94 -4.37 0.24 -0.44 -4.73 118.33 108.06 2kfx n VAL 28 Ca -0.01 -2.84 0.01 0.00 -2.04 0.00 0.00 64.34 59.46 2kfx n VAL 28 Cb 0.15 0.67 0.04 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.11 1.34 0.00 1.34 -0.00 0.63 -3.95 117.00 116.46 2kfx n LEU 29 Ca 0.12 -0.67 0.00 0.00 -0.00 0.00 0.00 56.01 55.45 2kfx n LEU 29 Cb 0.73 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 2kfx n LEU 29 CO 0.12 0.26 0.00 0.61 -0.00 0.00 0.00 177.39 178.38 2kfx n GLY 30 N 0.15 0.00 3.67 1.47 0.00 -1.26 -5.07 105.19 104.15 2kfx n GLY 30 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2kfx n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfx n ALA 31 N -0.35 0.95 -1.00 4.61 0.00 -1.25 -4.95 120.51 118.51 2kfx n ALA 31 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2kfx n ALA 31 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.25 2kfx n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kfx n GLU 32 N 0.49 0.00 0.00 0.00 1.02 -1.26 -4.54 120.64 116.34 2kfx n GLU 32 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2kfx n GLU 32 Cb 0.36 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 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 0.00 0.00 -0.24 1.62 5.68 -1.26 -4.96 116.55 117.39 2kfx n ASP 33 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2kfx n ASP 33 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2kfx n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kfx n GLY 34 N 0.00 0.02 3.69 6.12 0.00 -1.26 -5.08 105.19 108.68 2kfx n GLY 34 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.05 7.23 0.33 1.61 1.04 -1.26 -4.95 113.70 117.64 2kfx s SER 35 Ca 0.00 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 57.84 2kfx s SER 35 Cb 0.00 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 2kfx s SER 35 CO 0.00 -0.42 0.66 -0.63 0.98 0.00 0.00 173.24 173.83 2kfx s ILE 36 N 1.93 4.86 0.21 -1.02 1.01 -1.26 -4.98 121.20 121.95 2kfx s ILE 36 Ca 0.48 0.50 -0.19 0.00 0.00 0.00 0.00 60.65 61.44 2kfx s ILE 36 Cb -0.18 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.63 2kfx s ILE 36 CO 0.18 -0.32 0.57 -0.55 0.00 0.00 0.00 174.94 174.82 2kfx s SER 37 N -2.85 -0.30 0.00 3.58 0.15 -1.26 -3.68 113.70 109.34 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 -0.11 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2kfx s SER 37 CO 0.27 -1.10 0.76 0.35 1.20 0.00 0.00 173.24 174.71 2kfx n THR 38 N -0.37 1.02 -0.01 6.45 -2.24 -1.26 -0.78 114.28 117.09 2kfx n THR 38 Ca -0.09 0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 62.12 2kfx n THR 38 Cb 0.62 -1.50 -0.05 0.00 -2.10 0.00 0.00 70.33 67.30 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 -0.10 -0.01 -0.78 1.57 -1.98 -3.32 116.57 111.95 2kfx h LYS 39 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kfx h LYS 39 Cb 0.49 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2kfx h LYS 39 CO 0.00 0.24 -0.10 0.39 -0.57 0.00 0.00 179.45 179.41 2kfx n GLU 40 N -4.81 0.97 0.12 3.15 -0.58 -0.22 -4.19 120.64 115.08 2kfx n GLU 40 Ca -0.05 -0.43 -0.05 0.00 -0.42 0.00 0.00 57.16 56.21 2kfx n GLU 40 Cb 0.19 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 2kfx n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2kfx h LEU 41 N 1.04 -0.29 -1.07 -4.62 7.12 -1.07 -3.27 115.31 113.16 2kfx h LEU 41 Ca 0.00 0.01 0.35 0.00 0.13 0.00 0.00 57.88 58.37 2kfx h LEU 41 Cb 0.38 0.07 -0.15 0.00 -0.53 0.00 0.00 40.66 40.44 2kfx h LEU 41 CO 0.00 -0.04 0.61 1.23 -0.13 0.00 0.00 178.44 180.10 2kfx h GLY 42 N -0.66 1.97 0.00 3.75 0.00 -1.73 -2.24 103.07 104.16 2kfx h GLY 42 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2kfx h GLY 42 CO 0.06 -0.52 0.00 0.28 0.00 0.00 0.00 176.54 176.36 2kfx n LYS 43 N -5.02 0.00 -0.33 4.80 5.02 -1.23 0.67 118.16 122.06 2kfx n LYS 43 Ca 0.33 0.67 0.24 0.00 -2.02 0.00 0.00 58.31 57.53 2kfx n LYS 43 Cb 1.09 -1.34 0.47 0.00 -0.02 0.00 0.00 35.03 35.22 2kfx n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2kfx h VAL 44 N 0.00 0.24 0.00 -0.18 2.07 -1.49 1.81 116.25 118.70 2kfx h VAL 44 Ca 0.00 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2kfx h VAL 44 Cb 0.00 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 2kfx h VAL 44 CO 0.00 0.05 -0.29 0.24 0.02 0.00 0.00 177.57 177.59 2kfx h MET 45 N 0.25 0.00 -1.05 1.57 2.86 -0.98 -2.83 114.93 114.74 2kfx h MET 45 Ca 0.73 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 58.64 2kfx h MET 45 Cb 1.69 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.26 2kfx h MET 45 CO -0.65 0.29 0.69 -0.09 1.06 0.00 0.00 176.91 178.21 2kfx h ARG 46 N 0.00 0.33 -0.48 1.72 2.43 0.86 0.39 114.38 119.64 2kfx h ARG 46 Ca -0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2kfx h ARG 46 Cb 0.60 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2kfx h ARG 46 CO 0.04 0.22 -0.15 0.52 -1.51 0.00 0.00 179.97 179.09 2kfx h MET 47 N 0.34 0.94 0.00 0.20 2.86 -1.55 -2.10 114.93 115.62 2kfx h MET 47 Ca 0.59 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2kfx h MET 47 Cb 1.60 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.21 2kfx h MET 47 CO -0.26 1.04 0.00 1.28 1.06 0.00 0.00 176.91 180.02 2kfx n LEU 48 N -4.19 0.00 -1.07 1.22 4.32 0.13 -4.83 117.00 112.58 2kfx n LEU 48 Ca 0.00 0.12 -0.02 0.00 -0.02 0.00 0.00 56.01 56.09 2kfx n LEU 48 Cb 0.41 -0.12 0.01 0.00 -1.62 0.00 0.00 43.42 42.10 2kfx n LEU 48 CO 0.45 -0.06 0.02 0.61 -1.22 0.00 0.00 177.39 177.19 2kfx n GLY 49 N 0.01 0.53 3.04 -0.72 0.00 -0.79 -5.08 105.19 102.18 2kfx n GLY 49 Ca 0.10 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.49 0.39 -0.37 1.61 -1.52 -1.04 -5.02 119.66 109.23 2kfx s GLN 50 Ca 0.02 -0.52 0.05 0.00 -1.95 0.00 0.00 55.36 52.96 2kfx s GLN 50 Cb -0.01 0.15 0.31 0.00 -0.22 0.00 0.00 33.01 33.24 2kfx s GLN 50 CO 0.07 -0.08 1.29 -1.71 -0.25 0.00 0.00 175.29 174.61 2kfx n ASN 51 N 1.52 -1.58 -2.96 5.90 2.85 -1.26 -3.13 115.26 116.60 2kfx n ASN 51 Ca -0.23 -2.43 -0.14 0.00 -0.11 0.00 0.00 54.58 51.67 2kfx n ASN 51 Cb 0.55 1.38 0.11 0.00 1.24 0.00 0.00 39.78 43.06 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 0.34 -1.31 -1.87 1.20 -0.04 -1.26 -5.02 135.00 127.04 2kfx n PRO 52 Ca -0.04 -0.92 -0.34 0.00 -0.04 0.00 0.00 63.50 62.17 2kfx n PRO 52 Cb 0.74 -0.72 0.04 0.00 -0.04 0.00 0.00 33.50 33.52 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 -2.18 3.07 -1.50 0.52 -1.32 -1.26 -4.90 115.64 108.07 2kfx s THR 53 Ca 0.35 0.56 0.16 0.00 -1.21 0.00 0.00 61.69 61.54 2kfx s THR 53 Cb -0.02 -3.11 0.30 0.00 -1.51 0.00 0.00 72.50 68.16 2kfx s THR 53 CO 0.26 -0.26 1.43 -0.81 -2.21 0.00 0.00 174.62 173.04 2kfx n PRO 54 N -2.11 0.26 0.05 7.08 -0.04 -1.26 -2.43 135.00 136.55 2kfx n PRO 54 Ca 0.11 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 2kfx n PRO 54 Cb 0.51 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.04 0.09 0.54 4.81 -1.99 -2.79 114.58 115.29 2kfx h GLU 55 Ca 0.00 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 58.91 2kfx h GLU 55 Cb 0.13 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2kfx h GLU 55 CO 0.00 0.96 -1.16 0.93 -0.73 0.00 0.00 179.01 179.01 2kfx h GLU 56 N 0.01 0.26 -0.05 1.92 5.08 -1.86 -3.32 114.58 116.63 2kfx h GLU 56 Ca -0.07 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2kfx h GLU 56 Cb 1.83 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 2kfx h GLU 56 CO 0.13 1.17 -0.07 -0.07 -1.00 0.00 0.00 179.01 179.17 2kfx h LEU 57 N 0.09 0.14 -1.60 1.33 3.38 -1.65 -3.09 115.31 113.91 2kfx h LEU 57 Ca -0.11 -0.54 0.38 0.00 0.09 0.00 0.00 57.88 57.70 2kfx h LEU 57 Cb 1.87 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.49 2kfx h LEU 57 CO 0.19 0.65 0.87 -0.61 0.09 0.00 0.00 178.44 179.62 2kfx h GLN 58 N -0.36 0.14 -0.58 1.13 5.75 -1.61 1.16 115.11 120.74 2kfx h GLN 58 Ca 0.00 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.59 2kfx h GLN 58 Cb 0.62 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 2kfx h GLN 58 CO 0.02 0.09 0.39 0.93 -2.65 0.00 0.00 178.83 177.61 2kfx h GLU 59 N 0.14 0.41 0.03 1.69 5.08 -1.63 0.83 114.58 121.13 2kfx h GLU 59 Ca 0.71 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.80 2kfx h GLU 59 Cb 2.33 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.50 2kfx h GLU 59 CO -0.24 0.27 -1.03 0.52 -1.00 0.00 0.00 179.01 177.53 2kfx h MET 60 N 0.42 0.47 0.00 2.33 2.86 0.13 -3.05 114.93 118.09 2kfx h MET 60 Ca 0.27 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2kfx h MET 60 Cb 0.50 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2kfx h MET 60 CO -0.07 1.19 -0.12 -0.89 1.06 0.00 0.00 176.91 178.08 2kfx n ILE 61 N -3.75 0.27 -0.06 -1.22 -0.00 -0.36 -3.84 119.36 110.40 2kfx n ILE 61 Ca -0.08 -0.14 -0.13 0.00 -0.00 0.00 0.00 62.75 62.39 2kfx n ILE 61 Cb 0.88 -0.42 -0.12 0.00 -0.00 0.00 0.00 39.64 39.99 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 -0.89 4.38 3.58 0.67 -1.41 116.42 122.75 2kfx h ASP 62 Ca 0.00 -0.87 0.15 0.00 0.42 0.00 0.00 57.03 56.73 2kfx h ASP 62 Cb 0.62 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.58 2kfx h ASP 62 CO 0.00 0.90 0.48 1.05 -2.88 0.00 0.00 179.24 178.79 2kfx h GLU 63 N -0.94 0.65 0.04 0.28 4.11 -1.64 -2.24 114.58 114.84 2kfx h GLU 63 Ca -0.00 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.26 2kfx h GLU 63 Cb 0.88 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.99 2kfx h GLU 63 CO 0.00 0.43 -0.51 -0.39 0.07 0.00 0.00 179.01 178.61 2kfx h VAL 64 N 0.67 1.51 -0.08 -1.06 -1.51 -1.67 -3.40 116.25 110.71 2kfx h VAL 64 Ca 0.49 -2.18 -0.00 0.00 -1.23 0.00 0.00 66.70 63.78 2kfx h VAL 64 Cb 0.70 2.86 -0.00 0.00 -2.13 0.00 0.00 31.29 32.72 2kfx h VAL 64 CO -0.36 0.61 0.04 0.47 -1.23 0.00 0.00 177.57 177.10 2kfx n ASP 65 N -4.30 1.21 0.06 4.19 9.92 -0.53 -4.65 116.55 122.45 2kfx n ASP 65 Ca -0.11 -2.43 0.02 0.00 -0.53 0.00 0.00 54.79 51.74 2kfx n ASP 65 Cb 0.65 -1.70 0.37 0.00 -0.64 0.00 0.00 41.12 39.80 2kfx n ASP 65 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2kfx h GLU 66 N 11.63 0.38 0.00 -1.24 4.39 -1.78 -1.90 114.58 126.05 2kfx h GLU 66 Ca 0.00 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 2kfx h GLU 66 Cb 1.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2kfx h GLU 66 CO 1.00 0.42 -0.56 0.38 -1.16 0.00 0.00 179.01 179.10 2kfx h ASP 67 N 0.37 0.00 -0.71 1.42 2.03 -1.94 -3.48 116.42 114.11 2kfx h ASP 67 Ca 0.08 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.34 2kfx h ASP 67 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 2kfx h ASP 67 CO 0.01 0.35 -0.06 0.61 -1.03 0.00 0.00 179.24 179.11 2kfx n GLY 68 N 1.22 0.45 0.15 7.15 0.00 -0.71 -4.95 105.19 108.49 2kfx n GLY 68 Ca 0.01 -0.73 0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.09 0.00 -0.74 1.61 4.64 -1.93 -3.48 113.55 113.56 2kfx h SER 69 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2kfx h SER 69 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2kfx h SER 69 CO 0.06 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 2kfx n GLY 70 N 1.20 0.89 3.30 -0.77 0.00 -1.26 -5.07 105.19 103.48 2kfx n GLY 70 Ca 0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.74 -0.27 -1.02 2.61 -4.23 -1.26 -4.72 115.64 104.01 2kfx s THR 71 Ca 0.00 0.11 -0.21 0.00 -1.18 0.00 0.00 61.69 60.42 2kfx s THR 71 Cb 0.00 -0.66 0.09 0.00 1.34 0.00 0.00 72.50 73.26 2kfx s THR 71 CO 0.00 0.05 1.36 -0.69 -0.54 0.00 0.00 174.62 174.80 2kfx s VAL 72 N 1.90 4.27 1.08 2.29 1.01 -1.24 -4.90 120.40 124.81 2kfx s VAL 72 Ca -0.07 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 2kfx s VAL 72 Cb -0.10 -4.97 0.23 0.00 0.00 0.00 0.00 36.38 31.55 2kfx s VAL 72 CO -0.13 -1.79 1.13 1.51 0.00 0.00 0.00 175.10 175.82 2kfx s ASP 73 N 4.35 1.96 0.00 3.32 1.47 -1.26 -4.45 116.67 122.06 2kfx s ASP 73 Ca 0.42 0.80 0.14 0.00 1.18 0.00 0.00 52.55 55.09 2kfx s ASP 73 Cb -0.01 -1.20 0.83 0.00 -0.34 0.00 0.00 42.92 42.19 2kfx s ASP 73 CO -0.08 -3.50 1.45 0.33 0.68 0.00 0.00 175.17 174.05 2kfx n PHE 74 N -4.37 0.00 0.00 2.11 7.35 -1.26 -3.13 117.46 118.16 2kfx n PHE 74 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 2kfx n PHE 74 Cb 0.59 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.42 2kfx n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2kfx n ASP 75 N -0.75 0.00 0.00 -2.13 8.00 -1.26 -4.41 116.55 116.01 2kfx n ASP 75 Ca 0.10 0.08 0.02 0.00 0.71 0.00 0.00 54.79 55.71 2kfx n ASP 75 Cb 0.05 -0.39 0.10 0.00 -0.02 0.00 0.00 41.12 40.85 2kfx n ASP 75 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2kfx n GLU 76 N -2.15 0.07 0.17 -1.24 0.28 -1.26 -2.62 120.64 113.89 2kfx n GLU 76 Ca 0.00 0.17 -0.11 0.00 -0.16 0.00 0.00 57.16 57.06 2kfx n GLU 76 Cb 0.00 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 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 -0.45 -0.01 -1.84 3.57 -1.75 -2.97 116.94 113.49 2kfx h PHE 77 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2kfx h PHE 77 Cb 0.02 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2kfx h PHE 77 CO 0.00 -0.16 0.38 -0.07 -2.23 0.00 0.00 178.31 176.23 2kfx h LEU 78 N -1.02 0.00 -0.02 0.59 3.38 -1.71 1.04 115.31 117.57 2kfx h LEU 78 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2kfx h LEU 78 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2kfx h LEU 78 CO 0.08 0.00 -0.35 0.58 0.09 0.00 0.00 178.44 178.84 2kfx h VAL 79 N 0.00 0.60 -0.21 1.22 2.07 -1.64 -2.64 116.25 115.66 2kfx h VAL 79 Ca 0.00 -1.84 -0.21 0.00 0.82 0.00 0.00 66.70 65.48 2kfx h VAL 79 Cb 0.75 2.29 0.01 0.00 -1.52 0.00 0.00 31.29 32.82 2kfx h VAL 79 CO -0.00 0.34 -0.68 -0.03 0.02 0.00 0.00 177.57 177.22 2kfx h MET 80 N 0.00 0.81 0.18 1.57 -1.53 0.13 -2.70 114.93 113.39 2kfx h MET 80 Ca -0.00 -0.59 -0.01 0.00 -3.44 0.00 0.00 59.70 55.66 2kfx h MET 80 Cb 1.26 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 32.41 2kfx h MET 80 CO 0.05 1.21 -0.09 0.52 0.14 0.00 0.00 176.91 178.74 2kfx h MET 81 N 0.58 -0.23 -0.88 0.39 2.07 -1.59 -1.35 114.93 113.92 2kfx h MET 81 Ca -0.02 0.02 0.24 0.00 -2.07 0.00 0.00 59.70 57.86 2kfx h MET 81 Cb 1.29 0.05 -0.15 0.00 -1.87 0.00 0.00 31.60 30.93 2kfx h MET 81 CO 0.14 -0.12 0.18 0.28 1.07 0.00 0.00 176.91 178.46 2kfx h VAL 82 N -1.06 0.26 0.45 -2.22 2.07 -1.61 0.60 116.25 114.75 2kfx h VAL 82 Ca -0.02 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2kfx h VAL 82 Cb 0.22 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2kfx h VAL 82 CO 0.04 0.03 -0.22 0.03 0.02 0.00 0.00 177.57 177.47 2kfx h ARG 83 N 0.15 -0.59 -0.96 1.57 3.08 -1.58 -1.70 114.38 114.36 2kfx h ARG 83 Ca 0.55 0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.91 2kfx h ARG 83 Cb 1.11 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 31.15 2kfx h ARG 83 CO -0.70 -0.39 0.48 0.77 -1.07 0.00 0.00 179.97 179.05 2kfx h SER 84 N -1.11 0.42 0.00 7.04 0.02 -0.47 0.85 113.55 120.29 2kfx h SER 84 Ca -0.06 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2kfx h SER 84 Cb 0.47 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2kfx h SER 84 CO 0.10 -0.06 0.00 0.23 -1.14 0.00 0.00 176.83 175.96 2kfx n MET 85 N -5.05 0.00 0.00 3.45 2.81 0.20 -3.39 117.12 115.15 2kfx n MET 85 Ca 0.27 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 2kfx n MET 85 Cb 0.81 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 32.21 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 -1.37 0.00 -1.02 0.03 4.81 -0.64 -3.49 118.16 116.48 2kfx n LYS 86 Ca 0.00 0.49 -0.32 0.00 -0.87 0.00 0.00 58.31 57.61 2kfx n LYS 86 Cb 0.00 -1.45 -0.03 0.00 0.02 0.00 0.00 35.03 33.57 2kfx n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kfx n ASP 87 N -1.97 4.66 -4.72 3.14 9.92 0.29 -4.91 116.55 122.96 2kfx n ASP 87 Ca 0.00 -2.50 -0.42 0.00 -0.53 0.00 0.00 54.79 51.34 2kfx n ASP 87 Cb 0.00 -1.21 -0.03 0.00 -0.64 0.00 0.00 41.12 39.24 2kfx n ASP 87 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2kfx s ASP 88 N 3.67 6.69 0.00 -2.24 -4.77 -1.22 -4.27 116.67 114.54 2kfx s ASP 88 Ca 0.49 2.50 0.00 0.00 -3.30 0.00 0.00 52.55 52.24 2kfx s ASP 88 Cb 0.13 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 2kfx s ASP 88 CO -0.00 -0.74 0.00 -1.54 0.70 0.00 0.00 175.17 173.59