#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 -4.32 -0.03 7.83 8.00 -1.26 -4.87 116.55 121.90 2kfx n ASP 2 Ca 0.00 -0.75 -0.16 0.00 0.71 0.00 0.00 54.79 54.59 2kfx n ASP 2 Cb 0.00 -3.49 -0.13 0.00 -0.02 0.00 0.00 41.12 37.48 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 -1.72 0.16 0.00 -2.24 3.32 -2.06 -3.26 116.42 110.62 2kfx h ASP 3 Ca -0.55 -0.97 0.00 0.00 0.02 0.00 0.00 57.03 55.53 2kfx h ASP 3 Cb 1.36 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2kfx h ASP 3 CO 0.67 1.12 0.62 0.16 -1.72 0.00 0.00 179.24 180.09 2kfx h ILE 4 N -0.77 0.00 0.00 0.35 -2.65 -2.00 -0.73 117.51 111.70 2kfx h ILE 4 Ca -0.05 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.84 2kfx h ILE 4 Cb 1.20 0.11 0.00 0.00 -2.05 0.00 0.00 36.82 36.08 2kfx h ILE 4 CO 0.05 0.00 -0.17 1.88 0.03 0.00 0.00 178.15 179.94 2kfx h TYR 5 N 0.00 0.00 -0.21 0.16 0.05 -1.95 -3.35 116.97 111.67 2kfx h TYR 5 Ca 0.00 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.84 2kfx h TYR 5 Cb 1.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 2kfx h TYR 5 CO 0.00 0.00 0.68 0.87 -1.05 0.00 0.00 178.16 178.66 2kfx h LYS 6 N -0.45 0.00 -0.54 4.88 1.79 -1.26 0.73 116.57 121.72 2kfx h LYS 6 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2kfx h LYS 6 Cb 0.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2kfx h LYS 6 CO 0.00 0.00 -0.11 0.00 -1.08 0.00 0.00 179.45 178.26 2kfx h ALA 7 N 0.83 0.74 0.00 3.86 0.00 -1.49 -2.50 119.26 120.70 2kfx h ALA 7 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kfx h ALA 7 Cb 1.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kfx h ALA 7 CO -0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2kfx h ALA 8 N 0.92 1.00 0.00 0.00 0.00 0.34 -3.05 119.26 118.47 2kfx h ALA 8 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2kfx h ALA 8 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2kfx h ALA 8 CO 0.05 0.00 -0.48 0.28 0.00 0.00 0.00 179.25 179.10 2kfx h VAL 9 N 0.00 0.93 0.00 0.00 2.07 -1.17 -2.98 116.25 115.10 2kfx h VAL 9 Ca 0.00 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2kfx h VAL 9 Cb 0.70 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2kfx h VAL 9 CO 0.00 0.47 0.00 -0.33 0.02 0.00 0.00 177.57 177.73 2kfx h GLU 10 N 0.00 0.00 0.00 1.57 4.39 -1.40 -2.71 114.58 116.43 2kfx h GLU 10 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2kfx h GLU 10 Cb 1.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2kfx h GLU 10 CO 0.06 0.00 -0.90 1.96 -1.16 0.00 0.00 179.01 178.98 2kfx h GLN 11 N 0.00 0.00 -6.20 2.33 4.20 -1.66 -3.44 115.11 110.34 2kfx h GLN 11 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2kfx h GLN 11 Cb 0.55 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2kfx h GLN 11 CO 0.00 0.90 0.98 -0.51 -0.67 0.00 0.00 178.83 179.53 2kfx s LEU 12 N -6.93 4.19 0.54 1.46 1.43 -1.02 -5.00 118.68 113.34 2kfx s LEU 12 Ca 0.00 1.84 -0.14 0.00 -1.03 0.00 0.00 54.13 54.81 2kfx s LEU 12 Cb 0.11 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.73 2kfx s LEU 12 CO 0.80 -0.87 0.98 -0.89 0.23 0.00 0.00 176.35 176.60 2kfx s THR 13 N 3.84 4.62 -0.86 5.49 2.01 -1.26 -4.90 115.64 124.57 2kfx s THR 13 Ca 0.62 1.04 -0.08 0.00 0.31 0.00 0.00 61.69 63.57 2kfx s THR 13 Cb -0.25 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 2kfx s THR 13 CO 0.21 -0.82 2.04 -0.62 -0.69 0.00 0.00 174.62 174.74 2kfx n GLU 14 N -1.94 1.92 0.00 4.92 1.02 -1.26 -2.85 120.64 122.45 2kfx n GLU 14 Ca 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 2kfx n GLU 14 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 2kfx n GLU 14 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kfx n GLU 15 N 4.73 0.00 -0.03 3.49 1.02 -1.26 -4.86 120.64 123.72 2kfx n GLU 15 Ca 0.44 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.64 2kfx n GLU 15 Cb 0.17 -0.20 0.32 0.00 -0.02 0.00 0.00 31.44 31.72 2kfx n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kfx n GLN 16 N -1.51 1.19 -0.09 3.49 -0.00 -1.13 -3.42 117.38 115.91 2kfx n GLN 16 Ca 0.00 -0.29 -0.17 0.00 -0.00 0.00 0.00 57.00 56.54 2kfx n GLN 16 Cb 0.00 -1.22 -0.13 0.00 -0.00 0.00 0.00 30.24 28.89 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 -0.41 0.68 -0.31 2.61 5.02 -1.26 -4.27 118.16 120.23 2kfx n LYS 17 Ca 0.10 0.16 0.35 0.00 -2.02 0.00 0.00 58.31 56.90 2kfx n LYS 17 Cb 0.11 -1.58 0.69 0.00 -0.02 0.00 0.00 35.03 34.23 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 0.02 0.00 0.02 4.39 -0.26 -1.91 0.44 115.58 118.28 2kfx h ASN 18 Ca -0.52 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.18 2kfx h ASN 18 Cb 1.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.25 2kfx h ASN 18 CO -0.02 0.00 -0.17 1.05 -1.06 0.00 0.00 177.43 177.23 2kfx h GLU 19 N 0.00 0.08 0.20 0.81 9.09 -1.78 -2.89 114.58 120.08 2kfx h GLU 19 Ca 0.56 -0.11 -0.01 0.00 0.05 0.00 0.00 59.36 59.85 2kfx h GLU 19 Cb 2.56 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 29.70 2kfx h GLU 19 CO -0.01 0.98 -0.09 0.74 0.05 0.00 0.00 179.01 180.68 2kfx h PHE 20 N -0.77 -0.25 -0.35 2.06 0.04 -0.50 -2.27 116.94 114.90 2kfx h PHE 20 Ca -0.03 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.84 2kfx h PHE 20 Cb 1.06 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.28 2kfx h PHE 20 CO 0.24 0.00 0.32 0.87 -0.60 0.00 0.00 178.31 179.14 2kfx h LYS 21 N -0.47 0.00 0.00 1.51 1.57 -0.64 0.33 116.57 118.87 2kfx h LYS 21 Ca -0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 2kfx h LYS 21 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2kfx h LYS 21 CO 0.04 0.00 -0.71 0.00 -0.57 0.00 0.00 179.45 178.21 2kfx h ALA 22 N 1.69 0.73 0.21 3.86 0.00 -1.22 -3.28 119.26 121.25 2kfx h ALA 22 Ca 0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2kfx h ALA 22 Cb 0.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kfx h ALA 22 CO -0.00 0.89 -0.10 0.00 0.00 0.00 0.00 179.25 180.04 2kfx h ALA 23 N 1.29 -0.29 -0.77 0.00 0.00 0.21 -2.91 119.26 116.79 2kfx h ALA 23 Ca -0.01 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.97 2kfx h ALA 23 Cb 1.34 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 2kfx h ALA 23 CO 0.09 -0.64 -0.24 0.74 0.00 0.00 0.00 179.25 179.21 2kfx h PHE 24 N -0.33 -0.56 -1.09 0.00 -1.00 -1.59 0.81 116.94 113.18 2kfx h PHE 24 Ca -0.03 0.07 0.31 0.00 2.81 0.00 0.00 57.97 61.14 2kfx h PHE 24 Cb 0.25 0.36 -0.11 0.00 3.61 0.00 0.00 35.95 40.06 2kfx h PHE 24 CO -0.05 -0.35 0.69 -0.44 -1.61 0.00 0.00 178.31 176.54 2kfx h ASP 25 N -0.03 0.44 0.22 2.17 5.19 -1.62 1.05 116.42 123.84 2kfx h ASP 25 Ca 0.35 0.12 -0.15 0.00 -0.62 0.00 0.00 57.03 56.73 2kfx h ASP 25 Cb 0.57 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 2kfx h ASP 25 CO -0.80 -0.01 -0.56 0.40 -3.12 0.00 0.00 179.24 175.15 2kfx h ILE 26 N 0.33 1.35 0.04 0.35 1.08 0.63 -3.08 117.51 118.22 2kfx h ILE 26 Ca 0.67 -1.86 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2kfx h ILE 26 Cb 1.74 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.37 2kfx h ILE 26 CO -0.39 0.56 -0.02 -0.26 -0.69 0.00 0.00 178.15 177.35 2kfx h PHE 27 N 0.28 -0.05 -0.12 1.37 0.04 0.15 -3.36 116.94 115.25 2kfx h PHE 27 Ca 0.00 -0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.27 2kfx h PHE 27 Cb 1.07 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 2kfx h PHE 27 CO 0.03 -0.03 2.17 1.33 -0.60 0.00 0.00 178.31 181.20 2kfx n VAL 28 N -3.12 3.89 0.75 -0.55 0.24 0.12 -4.59 118.33 115.07 2kfx n VAL 28 Ca -0.01 -2.34 -0.01 0.00 -2.04 0.00 0.00 64.34 59.94 2kfx n VAL 28 Cb 0.02 -2.33 0.03 0.00 -1.47 0.00 0.00 33.84 30.10 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 2.98 2.62 0.00 1.34 -0.00 -1.16 -3.91 117.00 118.86 2kfx n LEU 29 Ca 0.64 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.32 2kfx n LEU 29 Cb 0.48 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 2kfx n LEU 29 CO 0.57 0.45 0.00 0.61 -0.00 0.00 0.00 177.39 179.02 2kfx n GLY 30 N 0.20 0.00 3.64 1.47 0.00 -1.26 -5.11 105.19 104.13 2kfx n GLY 30 Ca 0.06 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.51 -0.57 4.61 0.00 -1.25 -4.91 120.51 118.90 2kfx n ALA 31 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2kfx n ALA 31 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 2.90 0.00 0.00 0.00 1.02 -1.26 -4.64 120.64 118.65 2kfx n GLU 32 Ca 0.17 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 2kfx n GLU 32 Cb 0.26 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.49 0.00 -2.79 1.62 5.68 -1.26 -5.04 116.55 113.27 2kfx n ASP 33 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 2kfx n ASP 33 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 2kfx n ASP 33 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2kfx s GLY 34 N 0.00 -1.46 -0.17 6.12 0.00 -1.26 -5.11 107.32 105.45 2kfx s GLY 34 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.71 2kfx s GLY 34 CO 0.00 3.87 0.22 -1.35 0.00 0.00 0.00 173.10 175.85 2kfx s SER 35 N 1.09 1.01 -0.68 1.64 1.04 -1.26 -4.72 113.70 111.82 2kfx s SER 35 Ca 0.26 0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.51 2kfx s SER 35 Cb 0.03 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2kfx s SER 35 CO -0.07 -0.29 1.10 -0.63 0.98 0.00 0.00 173.24 174.33 2kfx s ILE 36 N 2.35 4.07 0.00 -1.02 1.01 -1.26 -4.92 121.20 121.42 2kfx s ILE 36 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2kfx s ILE 36 Cb -0.14 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.56 2kfx s ILE 36 CO -0.10 -1.58 0.00 -0.24 0.00 0.00 0.00 174.94 173.02 2kfx n SER 37 N 8.40 0.00 -0.00 3.58 2.88 -1.26 -4.00 113.62 123.22 2kfx n SER 37 Ca 0.00 -0.85 0.15 0.00 -1.33 0.00 0.00 58.87 56.84 2kfx n SER 37 Cb 0.47 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.69 2kfx n SER 37 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kfx n THR 38 N -1.42 0.00 -0.07 2.46 -2.24 -1.26 -3.07 114.28 108.68 2kfx n THR 38 Ca 0.00 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2kfx n THR 38 Cb 0.00 -0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 67.63 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 0.00 -0.78 1.57 -1.98 -3.32 116.57 112.05 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 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2kfx h LYS 39 CO 0.00 0.80 0.00 0.39 -0.57 0.00 0.00 179.45 180.07 2kfx n GLU 40 N -4.61 1.00 0.00 3.15 -0.58 -1.24 -3.79 120.64 114.57 2kfx n GLU 40 Ca -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2kfx n GLU 40 Cb 0.43 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 -0.97 0.51 -0.23 -4.62 -0.00 -1.17 -3.67 117.00 106.84 2kfx n LEU 41 Ca 0.23 0.47 0.04 0.00 -0.00 0.00 0.00 56.01 56.75 2kfx n LEU 41 Cb 0.10 -0.40 0.15 0.00 -0.00 0.00 0.00 43.42 43.28 2kfx n LEU 41 CO 0.17 -0.40 0.90 1.23 -0.00 0.00 0.00 177.39 179.29 2kfx h GLY 42 N 0.00 0.90 -0.66 -3.96 0.00 -1.71 0.03 103.07 97.67 2kfx h GLY 42 Ca 0.00 -0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.63 2kfx h GLY 42 CO 0.00 -0.20 0.34 0.50 0.00 0.00 0.00 176.54 177.18 2kfx h LYS 43 N 0.22 0.16 0.04 4.80 1.57 -1.73 1.25 116.57 122.88 2kfx h LYS 43 Ca 0.38 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.04 2kfx h LYS 43 Cb 0.64 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.93 2kfx h LYS 43 CO -0.51 0.10 -0.47 0.28 -0.57 0.00 0.00 179.45 178.28 2kfx h VAL 44 N 0.16 1.53 0.00 0.50 2.07 -1.09 -3.16 116.25 116.26 2kfx h VAL 44 Ca 0.66 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.99 2kfx h VAL 44 Cb 1.48 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 2kfx h VAL 44 CO -0.71 0.61 0.00 0.23 0.02 0.00 0.00 177.57 177.72 2kfx n MET 45 N -4.33 0.63 0.08 1.57 2.81 0.20 -2.66 117.12 115.42 2kfx n MET 45 Ca -0.11 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.68 2kfx n MET 45 Cb 0.64 -1.45 -0.09 0.00 -0.71 0.00 0.00 33.22 31.61 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 0.15 -0.35 0.03 2.43 0.15 -3.19 114.38 113.60 2kfx h ARG 46 Ca 0.00 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.88 2kfx h ARG 46 Cb 0.00 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2kfx h ARG 46 CO 0.00 1.06 -0.10 0.52 -1.51 0.00 0.00 179.97 179.93 2kfx h MET 47 N 0.05 0.59 0.00 0.20 2.86 -1.66 -3.33 114.93 113.65 2kfx h MET 47 Ca -0.06 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2kfx h MET 47 Cb 1.76 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.36 2kfx h MET 47 CO 0.16 0.69 0.00 1.28 1.06 0.00 0.00 176.91 180.10 2kfx n LEU 48 N -4.20 0.29 0.00 1.22 4.32 -1.23 -4.95 117.00 112.45 2kfx n LEU 48 Ca 0.01 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.59 2kfx n LEU 48 Cb 0.33 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 2kfx n LEU 48 CO 0.41 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 2kfx n GLY 49 N -0.23 -0.42 3.04 -0.72 0.00 -1.23 -5.17 105.19 100.45 2kfx n GLY 49 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.44 -0.44 1.61 -1.52 -1.21 -5.09 119.66 113.46 2kfx s GLN 50 Ca 0.00 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 52.66 2kfx s GLN 50 Cb 0.00 0.16 0.32 0.00 -0.22 0.00 0.00 33.01 33.27 2kfx s GLN 50 CO 0.00 -0.08 1.16 -1.71 -0.25 0.00 0.00 175.29 174.40 2kfx n ASN 51 N 1.04 -2.21 -2.98 5.90 2.85 -1.26 -4.40 115.26 114.20 2kfx n ASN 51 Ca -0.20 -3.48 -0.15 0.00 -0.11 0.00 0.00 54.58 50.64 2kfx n ASN 51 Cb 0.57 1.84 0.11 0.00 1.24 0.00 0.00 39.78 43.54 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 0.38 -1.15 -2.66 1.20 -0.04 -1.26 -5.04 135.00 126.42 2kfx n PRO 52 Ca 0.05 -0.98 -0.32 0.00 -0.04 0.00 0.00 63.50 62.20 2kfx n PRO 52 Cb 0.71 -0.73 -0.05 0.00 -0.04 0.00 0.00 33.50 33.38 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 -2.30 4.49 0.00 0.52 -1.32 -1.26 -4.91 115.64 110.86 2kfx s THR 53 Ca 0.37 1.29 0.00 0.00 -1.21 0.00 0.00 61.69 62.14 2kfx s THR 53 Cb -0.02 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2kfx s THR 53 CO 0.27 -0.48 0.76 -0.81 -2.21 0.00 0.00 174.62 172.15 2kfx n PRO 54 N -1.05 0.60 0.00 7.08 -0.04 -1.26 -2.37 135.00 137.95 2kfx n PRO 54 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2kfx n PRO 54 Cb 0.54 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2kfx n PRO 54 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kfx n GLU 55 N 0.97 2.23 0.15 0.54 2.13 -1.26 -4.74 120.64 120.66 2kfx n GLU 55 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 2kfx n GLU 55 Cb 0.30 -0.72 0.34 0.00 0.27 0.00 0.00 31.44 31.63 2kfx n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2kfx h GLU 56 N 0.00 0.00 0.05 5.31 5.08 -1.86 -3.30 114.58 119.86 2kfx h GLU 56 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kfx h GLU 56 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kfx h GLU 56 CO 0.00 0.00 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.91 2kfx h LEU 57 N 0.00 -0.06 -0.82 1.33 3.38 -1.85 -3.16 115.31 114.13 2kfx h LEU 57 Ca 0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2kfx h LEU 57 Cb 0.79 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2kfx h LEU 57 CO 0.00 0.65 0.65 -0.61 0.09 0.00 0.00 178.44 179.22 2kfx h GLN 58 N -0.86 0.00 -0.19 1.13 5.75 -1.86 1.23 115.11 120.32 2kfx h GLN 58 Ca -0.01 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 2kfx h GLN 58 Cb 0.65 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 2kfx h GLN 58 CO 0.01 0.00 -0.51 0.93 -2.65 0.00 0.00 178.83 176.61 2kfx h GLU 59 N 0.00 0.55 -0.08 1.69 5.08 -1.69 -0.40 114.58 119.72 2kfx h GLU 59 Ca 0.00 -0.33 -0.22 0.00 -1.00 0.00 0.00 59.36 57.82 2kfx h GLU 59 Cb 1.30 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.59 2kfx h GLU 59 CO 0.00 0.93 -0.82 0.52 -1.00 0.00 0.00 179.01 178.64 2kfx h MET 60 N 0.43 0.59 0.00 2.33 2.86 0.14 -3.05 114.93 118.23 2kfx h MET 60 Ca 0.02 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 2kfx h MET 60 Cb 1.05 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2kfx h MET 60 CO 0.10 1.14 0.00 0.82 1.06 0.00 0.00 176.91 180.03 2kfx h ILE 61 N 0.38 0.00 0.35 -1.22 5.03 -1.46 -3.32 117.51 117.28 2kfx h ILE 61 Ca -0.06 -0.79 -0.02 0.00 -0.12 0.00 0.00 64.86 63.88 2kfx h ILE 61 Cb 1.44 1.78 0.00 0.00 -3.03 0.00 0.00 36.82 37.01 2kfx h ILE 61 CO 0.15 0.00 -0.17 -0.78 -0.68 0.00 0.00 178.15 176.67 2kfx h ASP 62 N 0.00 -0.40 -0.93 1.72 3.58 -0.96 0.64 116.42 120.06 2kfx h ASP 62 Ca 0.00 0.01 0.26 0.00 0.42 0.00 0.00 57.03 57.72 2kfx h ASP 62 Cb 0.81 0.10 -0.17 0.00 1.72 0.00 0.00 39.33 41.79 2kfx h ASP 62 CO 0.00 -0.13 0.10 1.05 -2.88 0.00 0.00 179.24 177.38 2kfx h GLU 63 N -0.80 0.06 -0.06 0.28 4.11 -1.65 0.88 114.58 117.41 2kfx h GLU 63 Ca -0.05 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.25 2kfx h GLU 63 Cb 0.36 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kfx h GLU 63 CO 0.08 0.04 -0.48 -0.39 0.07 0.00 0.00 179.01 178.33 2kfx h VAL 64 N 0.06 1.41 -0.07 -1.06 -1.51 -1.65 -3.39 116.25 110.04 2kfx h VAL 64 Ca 0.58 -1.89 -0.04 0.00 -1.23 0.00 0.00 66.70 64.12 2kfx h VAL 64 Cb 1.20 2.38 0.01 0.00 -2.13 0.00 0.00 31.29 32.75 2kfx h VAL 64 CO -0.82 0.55 0.15 0.47 -1.23 0.00 0.00 177.57 176.69 2kfx n ASP 65 N -4.29 1.12 0.20 4.19 9.92 0.30 -4.60 116.55 123.39 2kfx n ASP 65 Ca -0.09 -2.43 0.07 0.00 -0.53 0.00 0.00 54.79 51.81 2kfx n ASP 65 Cb 0.59 -1.59 0.36 0.00 -0.64 0.00 0.00 41.12 39.85 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 11.42 0.00 -0.00 -1.24 4.39 -1.77 -2.50 114.58 124.87 2kfx h GLU 66 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kfx h GLU 66 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2kfx h GLU 66 CO 1.07 0.32 -0.26 -0.40 -1.16 0.00 0.00 179.01 178.58 2kfx n ASP 67 N -3.46 0.54 -2.89 1.42 5.75 -1.26 -5.00 116.55 111.65 2kfx n ASP 67 Ca 0.00 -0.38 -0.09 0.00 -0.01 0.00 0.00 54.79 54.31 2kfx n ASP 67 Cb 0.49 0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.61 2kfx n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kfx n GLY 68 N 1.40 -1.64 0.00 6.12 0.00 -0.94 -4.98 105.19 105.15 2kfx n GLY 68 Ca 0.10 1.11 0.00 0.00 0.00 0.00 0.00 46.02 47.23 2kfx n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfx n SER 69 N -0.10 0.00 -1.01 1.61 3.41 -1.26 -5.06 113.62 111.21 2kfx n SER 69 Ca 0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.68 2kfx n SER 69 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2kfx n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfx n GLY 70 N 0.00 0.51 3.52 5.00 0.00 -1.26 -5.08 105.19 107.89 2kfx n GLY 70 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.02 0.00 -0.41 2.61 -4.23 -1.26 -4.63 115.64 104.70 2kfx s THR 71 Ca 0.01 -1.52 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 2kfx s THR 71 Cb -0.00 -2.32 0.17 0.00 1.34 0.00 0.00 72.50 71.69 2kfx s THR 71 CO 0.04 0.00 0.39 -0.69 -0.54 0.00 0.00 174.62 173.82 2kfx s VAL 72 N -3.88 0.01 0.65 2.29 1.01 -1.26 -4.65 120.40 114.57 2kfx s VAL 72 Ca 0.26 -2.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 2kfx s VAL 72 Cb 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2kfx s VAL 72 CO 0.11 -0.93 1.02 1.51 0.00 0.00 0.00 175.10 176.81 2kfx s ASP 73 N 0.50 5.58 0.00 3.32 -4.77 -1.26 -4.47 116.67 115.57 2kfx s ASP 73 Ca 0.28 1.02 0.00 0.00 -3.30 0.00 0.00 52.55 50.55 2kfx s ASP 73 Cb -0.03 -1.91 0.00 0.00 -1.09 0.00 0.00 42.92 39.89 2kfx s ASP 73 CO -0.13 -1.19 0.71 0.33 0.70 0.00 0.00 175.17 175.60 2kfx n PHE 74 N -2.83 0.00 0.00 2.11 7.35 -1.26 -1.86 117.46 120.97 2kfx n PHE 74 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 2kfx n PHE 74 Cb 0.57 -0.24 0.00 0.00 0.35 0.00 0.00 39.48 40.16 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 -1.21 0.00 0.01 -2.13 9.92 -1.26 -3.87 116.55 118.01 2kfx n ASP 75 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 2kfx n ASP 75 Cb 0.17 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.68 2kfx n ASP 75 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2kfx n GLU 76 N 0.00 0.01 0.15 -1.24 0.28 -1.21 -1.44 120.64 117.19 2kfx n GLU 76 Ca 0.00 0.32 -0.14 0.00 -0.16 0.00 0.00 57.16 57.18 2kfx n GLU 76 Cb 0.00 -1.73 -0.08 0.00 1.43 0.00 0.00 31.44 31.06 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 -0.34 -0.74 -1.84 3.57 -1.53 -2.63 116.94 113.44 2kfx h PHE 77 Ca 0.00 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.71 2kfx h PHE 77 Cb 0.42 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2kfx h PHE 77 CO 0.00 -0.05 0.56 -0.07 -2.23 0.00 0.00 178.31 176.52 2kfx h LEU 78 N -0.61 0.00 -1.31 0.59 3.38 -1.36 0.98 115.31 116.98 2kfx h LEU 78 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2kfx h LEU 78 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kfx h LEU 78 CO 0.06 0.00 -0.07 0.58 0.09 0.00 0.00 178.44 179.10 2kfx h VAL 79 N 0.00 0.17 -0.19 1.22 2.07 -1.59 -1.72 116.25 116.22 2kfx h VAL 79 Ca 0.35 -0.71 -0.20 0.00 0.82 0.00 0.00 66.70 66.97 2kfx h VAL 79 Cb 1.47 1.60 0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2kfx h VAL 79 CO -0.00 0.07 -0.66 -0.03 0.02 0.00 0.00 177.57 176.96 2kfx h MET 80 N 0.00 0.78 0.09 1.57 -1.53 0.11 -2.79 114.93 113.15 2kfx h MET 80 Ca -0.00 -0.59 -0.00 0.00 -3.44 0.00 0.00 59.70 55.67 2kfx h MET 80 Cb 0.60 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.75 2kfx h MET 80 CO 0.01 1.20 -0.04 0.52 0.14 0.00 0.00 176.91 178.74 2kfx h MET 81 N 0.51 -0.12 -0.39 0.39 2.07 -1.46 -3.03 114.93 112.90 2kfx h MET 81 Ca -0.03 0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.65 2kfx h MET 81 Cb 1.29 0.03 -0.07 0.00 -1.87 0.00 0.00 31.60 30.98 2kfx h MET 81 CO 0.14 0.23 -0.42 0.28 1.07 0.00 0.00 176.91 178.21 2kfx h VAL 82 N -0.98 0.00 -0.25 -2.22 2.07 -1.45 0.69 116.25 114.10 2kfx h VAL 82 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2kfx h VAL 82 Cb 0.41 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2kfx h VAL 82 CO 0.02 0.00 -0.54 0.03 0.02 0.00 0.00 177.57 177.10 2kfx h ARG 83 N -0.24 -0.47 -0.99 1.57 3.08 -1.66 1.01 114.38 116.69 2kfx h ARG 83 Ca 0.07 0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.34 2kfx h ARG 83 Cb 0.42 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.47 2kfx h ARG 83 CO -0.49 -0.31 0.61 0.77 -1.07 0.00 0.00 179.97 179.48 2kfx h SER 84 N -0.49 0.72 0.00 7.04 0.02 -1.24 0.74 113.55 120.34 2kfx h SER 84 Ca 0.05 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2kfx h SER 84 Cb 0.63 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2kfx h SER 84 CO -0.50 0.26 0.00 0.23 -1.14 0.00 0.00 176.83 175.68 2kfx n MET 85 N -4.71 0.00 0.30 3.45 2.81 0.23 -1.25 117.12 117.96 2kfx n MET 85 Ca 0.23 0.44 0.11 0.00 -1.81 0.00 0.00 57.70 56.66 2kfx n MET 85 Cb 0.60 -1.13 0.58 0.00 -0.71 0.00 0.00 33.22 32.56 2kfx n MET 85 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2kfx h LYS 86 N 0.00 0.00 -1.09 0.03 3.64 0.10 -3.31 116.57 115.94 2kfx h LYS 86 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kfx h LYS 86 Cb 0.00 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 31.60 2kfx h LYS 86 CO 0.00 0.00 -0.40 -0.51 -2.27 0.00 0.00 179.45 176.27 2kfx s ASP 87 N -3.97 -1.37 0.01 4.20 1.01 0.26 -5.05 116.67 111.76 2kfx s ASP 87 Ca -0.02 0.07 -0.30 0.00 0.71 0.00 0.00 52.55 53.01 2kfx s ASP 87 Cb 0.06 1.91 -0.03 0.00 1.01 0.00 0.00 42.92 45.87 2kfx s ASP 87 CO 0.19 -0.30 1.00 1.51 0.21 0.00 0.00 175.17 177.79 2kfx s ASP 88 N 2.75 7.34 0.00 0.27 1.47 -0.38 -3.61 116.67 124.51 2kfx s ASP 88 Ca 0.10 1.70 0.00 0.00 1.18 0.00 0.00 52.55 55.53 2kfx s ASP 88 Cb -0.10 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 2kfx s ASP 88 CO -0.26 -0.28 0.00 -1.54 0.68 0.00 0.00 175.17 173.77