#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 -1.98 -0.06 7.83 9.92 -1.26 -4.92 116.55 126.09 2kfx n ASP 2 Ca 0.00 -0.94 -0.07 0.00 -0.53 0.00 0.00 54.79 53.26 2kfx n ASP 2 Cb 0.00 -3.54 -0.06 0.00 -0.64 0.00 0.00 41.12 36.88 2kfx n ASP 2 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2kfx h ASP 3 N -1.84 -0.00 0.00 -2.24 3.32 -2.06 -3.22 116.42 110.38 2kfx h ASP 3 Ca -0.63 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 55.94 2kfx h ASP 3 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2kfx h ASP 3 CO 0.56 0.74 0.63 0.16 -1.72 0.00 0.00 179.24 179.61 2kfx h ILE 4 N -1.00 0.00 0.05 0.35 -2.65 -2.01 0.69 117.51 112.94 2kfx h ILE 4 Ca -0.00 0.00 -0.28 0.00 1.03 0.00 0.00 64.86 65.61 2kfx h ILE 4 Cb 0.48 0.11 -0.03 0.00 -2.05 0.00 0.00 36.82 35.34 2kfx h ILE 4 CO 0.00 0.00 -1.52 1.88 0.03 0.00 0.00 178.15 178.54 2kfx h TYR 5 N 0.00 0.18 -0.98 0.16 0.05 -1.95 -3.36 116.97 111.07 2kfx h TYR 5 Ca 0.00 -0.13 0.06 0.00 0.05 0.00 0.00 58.73 58.71 2kfx h TYR 5 Cb 1.25 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.92 2kfx h TYR 5 CO 0.00 1.60 0.63 0.87 -1.05 0.00 0.00 178.16 180.21 2kfx h LYS 6 N -0.62 1.11 -0.52 4.88 1.79 0.36 -0.29 116.57 123.28 2kfx h LYS 6 Ca -0.38 -0.07 0.12 0.00 -2.18 0.00 0.00 60.65 58.14 2kfx h LYS 6 Cb 1.57 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 2kfx h LYS 6 CO -0.11 0.74 0.36 0.00 -1.08 0.00 0.00 179.45 179.36 2kfx h ALA 7 N 1.44 2.23 0.04 3.86 0.00 -1.55 -0.83 119.26 124.45 2kfx h ALA 7 Ca 0.42 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.04 2kfx h ALA 7 Cb 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kfx h ALA 7 CO -0.17 -0.37 -1.10 0.00 0.00 0.00 0.00 179.25 177.61 2kfx h ALA 8 N 1.74 0.10 -0.05 0.00 0.00 -1.21 -3.13 119.26 116.71 2kfx h ALA 8 Ca 0.25 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2kfx h ALA 8 Cb 0.72 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kfx h ALA 8 CO -0.04 0.70 0.10 0.28 0.00 0.00 0.00 179.25 180.29 2kfx h VAL 9 N 0.35 0.27 0.00 0.00 2.07 -0.64 0.18 116.25 118.47 2kfx h VAL 9 Ca -0.14 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2kfx h VAL 9 Cb 1.76 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2kfx h VAL 9 CO 0.21 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.98 2kfx h GLU 10 N 0.00 0.00 0.00 1.57 4.39 -1.41 -3.10 114.58 116.03 2kfx h GLU 10 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2kfx h GLU 10 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2kfx h GLU 10 CO -0.00 0.49 -0.05 1.96 -1.16 0.00 0.00 179.01 180.26 2kfx h GLN 11 N 0.00 0.00 -6.18 2.33 4.20 -0.70 -3.43 115.11 111.33 2kfx h GLN 11 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.13 2kfx h GLN 11 Cb 1.29 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 2kfx h GLN 11 CO 0.06 0.05 0.89 -0.51 -0.67 0.00 0.00 178.83 178.65 2kfx s LEU 12 N -6.26 4.09 0.00 1.46 1.43 -1.15 -5.01 118.68 113.24 2kfx s LEU 12 Ca 0.04 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 2kfx s LEU 12 Cb 0.07 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2kfx s LEU 12 CO 0.62 -0.81 0.00 0.41 0.23 0.00 0.00 176.35 176.81 2kfx n THR 13 N 5.55 0.00 0.00 5.49 -1.04 -1.26 -5.02 114.28 118.00 2kfx n THR 13 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2kfx n THR 13 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2kfx n THR 13 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kfx n GLU 14 N 0.00 0.09 0.05 -2.82 1.02 -1.26 -4.75 120.64 112.97 2kfx n GLU 14 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2kfx n GLU 14 Cb 0.00 -0.51 0.23 0.00 -0.02 0.00 0.00 31.44 31.14 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 0.38 0.00 3.49 5.08 -2.03 -1.98 114.58 119.53 2kfx h GLU 15 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2kfx h GLU 15 Cb 0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kfx h GLU 15 CO 0.00 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 2kfx n GLN 16 N -4.11 0.02 0.04 2.33 -0.00 -1.26 -2.85 117.38 111.54 2kfx n GLN 16 Ca -0.01 0.03 0.13 0.00 -0.00 0.00 0.00 57.00 57.15 2kfx n GLN 16 Cb 0.41 -1.52 0.42 0.00 -0.00 0.00 0.00 30.24 29.55 2kfx n GLN 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2kfx n LYS 17 N -1.55 0.12 0.17 2.61 4.81 -0.75 -4.11 118.16 119.46 2kfx n LYS 17 Ca 0.07 0.07 -0.07 0.00 -0.87 0.00 0.00 58.31 57.51 2kfx n LYS 17 Cb 0.34 -1.62 -0.03 0.00 0.02 0.00 0.00 35.03 33.74 2kfx n LYS 17 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2kfx h ASN 18 N 0.00 -0.40 -0.99 3.14 -0.26 -1.54 -2.56 115.58 112.97 2kfx h ASN 18 Ca 0.00 0.01 0.35 0.00 -0.56 0.00 0.00 56.30 56.10 2kfx h ASN 18 Cb 0.61 0.10 -0.18 0.00 -1.06 0.00 0.00 38.32 37.79 2kfx h ASN 18 CO 0.00 -0.18 0.31 1.05 -1.06 0.00 0.00 177.43 177.55 2kfx h GLU 19 N -0.69 0.02 0.23 0.81 9.09 -1.77 0.30 114.58 122.58 2kfx h GLU 19 Ca -0.05 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.35 2kfx h GLU 19 Cb 0.36 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 2kfx h GLU 19 CO 0.08 0.02 -0.11 0.74 0.05 0.00 0.00 179.01 179.78 2kfx h PHE 20 N 0.02 -0.29 -1.11 2.06 0.04 -1.73 -0.55 116.94 115.39 2kfx h PHE 20 Ca 0.73 -0.01 0.32 0.00 2.80 0.00 0.00 57.97 61.81 2kfx h PHE 20 Cb 1.75 0.10 -0.11 0.00 2.20 0.00 0.00 35.95 39.89 2kfx h PHE 20 CO -0.23 -0.18 0.71 0.87 -0.60 0.00 0.00 178.31 178.88 2kfx h LYS 21 N -0.35 0.30 0.00 1.51 1.57 -0.80 1.53 116.57 120.33 2kfx h LYS 21 Ca -0.03 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2kfx h LYS 21 Cb 0.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2kfx h LYS 21 CO 0.05 0.20 -0.38 0.00 -0.57 0.00 0.00 179.45 178.75 2kfx h ALA 22 N 1.63 1.32 0.35 3.86 0.00 -0.30 -3.10 119.26 123.02 2kfx h ALA 22 Ca 0.67 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2kfx h ALA 22 Cb 1.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2kfx h ALA 22 CO -0.35 0.47 -0.17 0.00 0.00 0.00 0.00 179.25 179.20 2kfx h ALA 23 N 1.62 -0.47 -0.74 0.00 0.00 0.39 -3.04 119.26 117.03 2kfx h ALA 23 Ca -0.00 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2kfx h ALA 23 Cb 0.69 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.53 2kfx h ALA 23 CO 0.05 -0.72 -0.31 0.74 0.00 0.00 0.00 179.25 179.02 2kfx h PHE 24 N -0.56 -0.81 -1.62 0.00 -1.00 -1.42 0.94 116.94 112.47 2kfx h PHE 24 Ca -0.05 0.08 0.47 0.00 2.81 0.00 0.00 57.97 61.28 2kfx h PHE 24 Cb 0.41 0.47 -0.07 0.00 3.61 0.00 0.00 35.95 40.38 2kfx h PHE 24 CO -0.03 -0.38 1.16 -0.44 -1.61 0.00 0.00 178.31 177.02 2kfx h ASP 25 N -0.08 0.00 0.97 2.17 3.32 -1.56 2.29 116.42 123.54 2kfx h ASP 25 Ca 0.30 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.14 2kfx h ASP 25 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 2kfx h ASP 25 CO -0.79 -0.00 -1.05 0.40 -1.72 0.00 0.00 179.24 176.08 2kfx h ILE 26 N 0.00 1.57 0.00 0.35 1.08 0.88 -3.26 117.51 118.13 2kfx h ILE 26 Ca 0.77 -3.27 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 2kfx h ILE 26 Cb 3.09 2.77 0.00 0.00 -3.07 0.00 0.00 36.82 39.61 2kfx h ILE 26 CO -0.01 0.89 -0.14 -0.26 -0.69 0.00 0.00 178.15 177.94 2kfx h PHE 27 N 0.00 0.00 0.00 1.37 0.04 0.40 -3.38 116.94 115.38 2kfx h PHE 27 Ca -0.04 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.58 2kfx h PHE 27 Cb 1.77 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.87 2kfx h PHE 27 CO 0.00 0.00 -0.30 1.33 -0.60 0.00 0.00 178.31 178.74 2kfx n VAL 28 N -3.53 2.76 0.79 -0.55 0.24 0.11 -4.55 118.33 113.60 2kfx n VAL 28 Ca -0.02 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 2kfx n VAL 28 Cb 0.07 -1.90 0.00 0.00 -1.47 0.00 0.00 33.84 30.54 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 2.34 3.18 0.00 1.34 -0.00 -1.23 -3.68 117.00 118.95 2kfx n LEU 29 Ca 0.35 -1.56 0.00 0.00 -0.00 0.00 0.00 56.01 54.80 2kfx n LEU 29 Cb 0.83 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2kfx n LEU 29 CO 0.10 0.54 0.00 0.61 -0.00 0.00 0.00 177.39 178.65 2kfx n GLY 30 N 0.64 0.00 3.75 1.47 0.00 -1.26 -5.11 105.19 104.67 2kfx n GLY 30 Ca 0.00 0.00 -0.42 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 2.26 -1.00 4.61 0.00 -1.24 -4.97 120.51 120.17 2kfx n ALA 31 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2kfx n ALA 31 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 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 1.19 0.00 0.00 0.00 1.02 -1.26 -4.43 120.64 117.16 2kfx n GLU 32 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2kfx n GLU 32 Cb 0.37 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.11 0.00 0.00 1.62 5.75 -1.26 -4.89 116.55 117.66 2kfx n ASP 33 Ca 0.00 0.86 0.00 0.00 -0.01 0.00 0.00 54.79 55.64 2kfx n ASP 33 Cb 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 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 -0.93 0.00 3.90 6.12 0.00 -1.26 -5.17 105.19 107.85 2kfx n GLY 34 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 6.28 -0.42 1.61 1.04 -1.26 -4.85 113.70 116.11 2kfx s SER 35 Ca 0.00 1.00 0.02 0.00 0.48 0.00 0.00 55.95 57.44 2kfx s SER 35 Cb 0.00 -2.28 0.14 0.00 0.10 0.00 0.00 66.02 63.98 2kfx s SER 35 CO 0.00 -0.59 0.24 -0.63 0.98 0.00 0.00 173.24 173.24 2kfx s ILE 36 N -2.75 0.95 0.00 -1.02 1.01 -1.26 -4.74 121.20 113.38 2kfx s ILE 36 Ca 0.48 -2.32 0.00 0.00 0.00 0.00 0.00 60.65 58.81 2kfx s ILE 36 Cb -0.10 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.70 2kfx s ILE 36 CO 0.45 -0.95 0.00 -0.24 0.00 0.00 0.00 174.94 174.19 2kfx n SER 37 N 3.62 0.00 -0.01 3.58 2.88 -1.26 -3.87 113.62 118.56 2kfx n SER 37 Ca 0.12 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.81 2kfx n SER 37 Cb 0.36 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.70 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 0.00 0.00 -0.07 2.46 -2.24 -1.26 -3.20 114.28 109.96 2kfx n THR 38 Ca 0.00 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2kfx n THR 38 Cb 0.00 -0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 67.66 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 0.03 0.00 0.00 -0.78 1.57 -1.96 -3.34 116.57 112.09 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2kfx h LYS 39 CO 0.00 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 179.91 2kfx n GLU 40 N -4.60 0.97 -0.01 3.15 -0.58 -1.24 -3.93 120.64 114.39 2kfx n GLU 40 Ca -0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2kfx n GLU 40 Cb 0.40 -1.41 -0.00 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.00 -0.01 -0.87 -4.62 7.12 -1.66 -3.34 115.31 111.93 2kfx h LEU 41 Ca 0.00 0.00 0.23 0.00 0.13 0.00 0.00 57.88 58.24 2kfx h LEU 41 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 39.99 2kfx h LEU 41 CO 0.00 0.18 0.23 1.23 -0.13 0.00 0.00 178.44 179.95 2kfx h GLY 42 N -0.37 1.33 -0.57 3.75 0.00 -1.68 0.14 103.07 105.66 2kfx h GLY 42 Ca -0.00 -0.04 0.25 0.00 0.00 0.00 0.00 47.33 47.54 2kfx h GLY 42 CO 0.00 -0.35 0.20 0.50 0.00 0.00 0.00 176.54 176.89 2kfx h LYS 43 N 0.22 0.15 0.12 4.80 1.57 -1.72 0.26 116.57 121.97 2kfx h LYS 43 Ca 0.54 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.30 2kfx h LYS 43 Cb 1.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2kfx h LYS 43 CO -0.64 0.10 -0.06 0.28 -0.57 0.00 0.00 179.45 178.56 2kfx h VAL 44 N 0.15 0.27 0.00 0.50 2.07 -0.87 -3.21 116.25 115.16 2kfx h VAL 44 Ca 0.57 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2kfx h VAL 44 Cb 1.18 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2kfx h VAL 44 CO -0.71 0.09 0.35 0.23 0.02 0.00 0.00 177.57 177.54 2kfx n MET 45 N -4.87 0.05 0.08 1.57 2.81 -0.79 0.10 117.12 116.07 2kfx n MET 45 Ca -0.04 0.43 -0.09 0.00 -1.81 0.00 0.00 57.70 56.20 2kfx n MET 45 Cb 0.13 -2.00 0.02 0.00 -0.71 0.00 0.00 33.22 30.65 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 0.24 -0.75 0.03 2.43 -0.50 -2.44 114.38 113.40 2kfx h ARG 46 Ca 0.00 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 2kfx h ARG 46 Cb 0.70 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2kfx h ARG 46 CO 0.00 0.93 0.26 0.52 -1.51 0.00 0.00 179.97 180.17 2kfx h MET 47 N 0.15 1.13 0.00 0.20 2.86 0.52 -3.33 114.93 116.47 2kfx h MET 47 Ca -0.04 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2kfx h MET 47 Cb 1.42 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2kfx h MET 47 CO 0.13 0.95 0.00 1.28 1.06 0.00 0.00 176.91 180.32 2kfx n LEU 48 N -4.26 0.50 0.00 1.22 4.32 -1.21 -4.95 117.00 112.62 2kfx n LEU 48 Ca 0.06 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 2kfx n LEU 48 Cb 0.21 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 2kfx n LEU 48 CO 0.41 -0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.07 2kfx n GLY 49 N 0.04 0.00 3.02 -0.72 0.00 -1.19 -5.16 105.19 101.18 2kfx n GLY 49 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.41 -0.45 1.61 -1.52 -0.93 -5.07 119.66 113.72 2kfx s GLN 50 Ca 0.00 -0.68 0.06 0.00 -1.95 0.00 0.00 55.36 52.79 2kfx s GLN 50 Cb 0.00 -0.06 0.32 0.00 -0.22 0.00 0.00 33.01 33.06 2kfx s GLN 50 CO 0.00 -0.01 1.15 -1.71 -0.25 0.00 0.00 175.29 174.47 2kfx n ASN 51 N 1.51 -2.23 -2.31 5.90 5.15 -1.26 -3.32 115.26 118.70 2kfx n ASN 51 Ca -0.23 -3.51 -0.01 0.00 -0.60 0.00 0.00 54.58 50.23 2kfx n ASN 51 Cb 0.55 1.84 0.01 0.00 -0.53 0.00 0.00 39.78 41.65 2kfx n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2kfx n PRO 52 N 0.35 -0.57 -2.48 1.20 -0.04 -1.26 -5.03 135.00 127.17 2kfx n PRO 52 Ca 0.05 -0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 63.09 2kfx n PRO 52 Cb 0.71 -0.07 -0.04 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.12 4.19 -1.37 0.52 -1.32 -1.26 -4.93 115.64 110.35 2kfx s THR 53 Ca 0.04 1.20 0.16 0.00 -1.21 0.00 0.00 61.69 61.87 2kfx s THR 53 Cb -0.00 -3.56 0.26 0.00 -1.51 0.00 0.00 72.50 67.68 2kfx s THR 53 CO 0.03 -0.45 1.46 -0.81 -2.21 0.00 0.00 174.62 172.63 2kfx n PRO 54 N -1.27 0.19 0.12 7.08 -0.04 -1.26 -2.68 135.00 137.13 2kfx n PRO 54 Ca 0.08 0.15 -0.22 0.00 -0.04 0.00 0.00 63.50 63.47 2kfx n PRO 54 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.43 0.00 0.54 4.81 -1.97 -3.11 114.58 115.29 2kfx h GLU 55 Ca 0.00 -0.74 -0.18 0.00 -0.13 0.00 0.00 59.36 58.31 2kfx h GLU 55 Cb 0.17 0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2kfx h GLU 55 CO 0.00 1.34 -0.87 0.93 -0.73 0.00 0.00 179.01 179.68 2kfx h GLU 56 N 0.12 0.00 -0.04 1.92 5.08 -1.91 -3.21 114.58 116.54 2kfx h GLU 56 Ca -0.24 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 2kfx h GLU 56 Cb 2.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.34 2kfx h GLU 56 CO 0.23 0.87 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.58 2kfx h LEU 57 N 0.00 0.11 -2.22 1.33 3.38 -1.64 -2.64 115.31 113.63 2kfx h LEU 57 Ca -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2kfx h LEU 57 Cb 1.60 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2kfx h LEU 57 CO 0.11 0.56 -0.04 -0.61 0.09 0.00 0.00 178.44 178.56 2kfx h GLN 58 N 0.09 0.00 0.00 1.13 5.75 -1.54 -0.68 115.11 119.86 2kfx h GLN 58 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kfx h GLN 58 Cb 0.86 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.41 2kfx h GLN 58 CO 0.07 0.04 -0.01 0.93 -2.65 0.00 0.00 178.83 177.20 2kfx h GLU 59 N 0.00 0.00 0.00 1.69 5.08 -1.60 0.42 114.58 120.18 2kfx h GLU 59 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2kfx h GLU 59 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2kfx h GLU 59 CO 0.00 0.01 -0.98 0.52 -1.00 0.00 0.00 179.01 177.56 2kfx h MET 60 N 0.00 0.00 0.00 2.33 2.86 -1.28 -3.27 114.93 115.57 2kfx h MET 60 Ca -0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 2kfx h MET 60 Cb 0.04 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2kfx h MET 60 CO 0.00 0.75 -1.60 -0.89 1.06 0.00 0.00 176.91 176.23 2kfx n ILE 61 N -3.24 1.39 0.28 -1.22 -0.00 -0.16 -3.95 119.36 112.45 2kfx n ILE 61 Ca -0.02 -0.75 0.16 0.00 -0.00 0.00 0.00 62.75 62.14 2kfx n ILE 61 Cb 0.89 -0.87 0.73 0.00 -0.00 0.00 0.00 39.64 40.40 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 0.25 4.38 3.58 -0.34 0.63 116.42 124.92 2kfx h ASP 62 Ca -0.23 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.90 2kfx h ASP 62 Cb 1.81 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.89 2kfx h ASP 62 CO 0.06 0.06 -1.38 1.05 -2.88 0.00 0.00 179.24 176.14 2kfx h GLU 63 N 0.00 0.55 0.00 0.28 4.11 -1.68 -3.29 114.58 114.55 2kfx h GLU 63 Ca -0.00 -0.86 0.00 0.00 0.07 0.00 0.00 59.36 58.57 2kfx h GLU 63 Cb 0.45 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2kfx h GLU 63 CO 0.01 1.40 -0.56 1.33 0.07 0.00 0.00 179.01 181.26 2kfx n VAL 64 N -3.73 0.38 -0.91 -1.06 0.24 -1.11 -4.64 118.33 107.51 2kfx n VAL 64 Ca -0.15 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.34 61.50 2kfx n VAL 64 Cb 1.06 -0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 33.15 2kfx n VAL 64 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kfx n ASP 65 N -2.12 1.46 -0.63 -1.34 9.92 0.20 -4.61 116.55 119.43 2kfx n ASP 65 Ca 0.04 -2.54 0.00 0.00 -0.53 0.00 0.00 54.79 51.75 2kfx n ASP 65 Cb 0.44 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 2kfx n ASP 65 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kfx n GLU 66 N 7.86 0.87 0.00 -1.24 -0.58 -1.26 -2.48 120.64 123.81 2kfx n GLU 66 Ca 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 2kfx n GLU 66 Cb 0.43 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 2kfx n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2kfx n ASP 67 N 0.20 0.00 -3.25 1.62 5.68 -1.26 -5.08 116.55 114.45 2kfx n ASP 67 Ca 0.00 -1.00 -0.19 0.00 -0.50 0.00 0.00 54.79 53.10 2kfx n ASP 67 Cb 0.27 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.27 2kfx n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kfx n GLY 68 N 0.00 -0.48 0.00 6.12 0.00 -1.04 -4.93 105.19 104.86 2kfx n GLY 68 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 0.39 0.00 -3.71 1.61 3.41 -1.26 -5.04 113.62 109.02 2kfx n SER 69 Ca -0.03 -0.42 -0.22 0.00 -0.26 0.00 0.00 58.87 57.94 2kfx n SER 69 Cb 0.53 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.38 3.24 5.00 0.00 -1.26 -4.99 105.19 106.81 2kfx n GLY 70 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.68 -0.51 -1.28 2.61 -4.23 -1.26 -4.59 115.64 102.70 2kfx s THR 71 Ca 0.06 0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 2kfx s THR 71 Cb -0.02 -0.64 0.15 0.00 1.34 0.00 0.00 72.50 73.33 2kfx s THR 71 CO 0.82 0.07 1.77 0.52 -0.54 0.00 0.00 174.62 177.26 2kfx n VAL 72 N 5.17 4.18 -1.05 2.29 0.31 -1.25 -4.93 118.33 123.04 2kfx n VAL 72 Ca -0.11 -4.31 -0.30 0.00 -0.01 0.00 0.00 64.34 59.61 2kfx n VAL 72 Cb 0.51 -2.42 0.14 0.00 -0.91 0.00 0.00 33.84 31.15 2kfx n VAL 72 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2kfx s ASP 73 N 2.02 3.51 0.00 4.52 1.47 -1.26 -4.56 116.67 122.37 2kfx s ASP 73 Ca 0.43 1.79 0.04 0.00 1.18 0.00 0.00 52.55 55.98 2kfx s ASP 73 Cb 0.06 -2.41 0.25 0.00 -0.34 0.00 0.00 42.92 40.49 2kfx s ASP 73 CO -0.00 -2.66 0.67 0.33 0.68 0.00 0.00 175.17 174.19 2kfx n PHE 74 N -3.92 0.00 0.00 2.11 7.35 -1.26 -2.03 117.46 119.70 2kfx n PHE 74 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 2kfx n PHE 74 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 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 -0.91 0.00 0.00 -2.13 8.00 -1.26 -4.22 116.55 116.03 2kfx n ASP 75 Ca 0.03 0.17 0.04 0.00 0.71 0.00 0.00 54.79 55.74 2kfx n ASP 75 Cb 0.01 -0.32 0.21 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.79 0.05 0.34 -1.24 0.28 -1.21 -3.06 120.64 114.00 2kfx n GLU 76 Ca 0.00 0.29 -0.14 0.00 -0.16 0.00 0.00 57.16 57.16 2kfx n GLU 76 Cb 0.00 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.30 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 -0.83 -1.16 -1.84 3.57 -1.60 -2.54 116.94 112.54 2kfx h PHE 77 Ca 0.00 -0.02 0.34 0.00 3.53 0.00 0.00 57.97 61.82 2kfx h PHE 77 Cb 0.13 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2kfx h PHE 77 CO 0.00 -0.51 0.92 -0.07 -2.23 0.00 0.00 178.31 176.41 2kfx h LEU 78 N -1.21 0.00 -0.50 0.59 3.38 -1.71 1.71 115.31 117.57 2kfx h LEU 78 Ca -0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 2kfx h LEU 78 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2kfx h LEU 78 CO 0.15 0.00 -0.75 0.58 0.09 0.00 0.00 178.44 178.51 2kfx h VAL 79 N 0.00 1.53 -0.78 1.22 2.07 -1.64 -3.05 116.25 115.61 2kfx h VAL 79 Ca 0.55 -2.55 0.13 0.00 0.82 0.00 0.00 66.70 65.66 2kfx h VAL 79 Cb 2.38 2.38 -0.05 0.00 -1.52 0.00 0.00 31.29 34.48 2kfx h VAL 79 CO -0.01 0.73 0.51 -0.03 0.02 0.00 0.00 177.57 178.80 2kfx h MET 80 N 0.01 0.51 0.01 1.57 -1.53 0.30 -1.26 114.93 114.54 2kfx h MET 80 Ca -0.01 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.22 2kfx h MET 80 Cb 1.33 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 32.26 2kfx h MET 80 CO 0.10 0.34 -0.00 0.52 0.14 0.00 0.00 176.91 178.00 2kfx h MET 81 N 0.53 -0.01 -1.58 0.39 2.86 -1.54 -3.04 114.93 112.54 2kfx h MET 81 Ca 0.38 0.00 0.46 0.00 -2.06 0.00 0.00 59.70 58.48 2kfx h MET 81 Cb 0.72 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.32 2kfx h MET 81 CO -0.14 0.16 1.13 0.28 1.06 0.00 0.00 176.91 179.40 2kfx h VAL 82 N -1.00 0.21 0.00 -2.22 2.07 -1.40 0.48 116.25 114.39 2kfx h VAL 82 Ca -0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kfx h VAL 82 Cb 0.17 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2kfx h VAL 82 CO 0.00 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.13 2kfx n ARG 83 N -4.07 0.00 -0.07 1.57 1.74 -0.49 -1.41 116.66 113.93 2kfx n ARG 83 Ca 0.35 0.17 0.25 0.00 -0.77 0.00 0.00 57.85 57.84 2kfx n ARG 83 Cb 1.63 -0.77 0.60 0.00 -1.02 0.00 0.00 32.46 32.90 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 0.00 0.00 0.55 0.02 -1.34 0.89 113.55 113.68 2kfx h SER 84 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kfx h SER 84 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 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 -3.46 0.00 0.10 3.45 2.81 0.17 -2.05 117.12 118.14 2kfx n MET 85 Ca 0.16 0.25 0.06 0.00 -1.81 0.00 0.00 57.70 56.35 2kfx n MET 85 Cb 1.09 -0.79 0.32 0.00 -0.71 0.00 0.00 33.22 33.12 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 -1.24 0.08 -3.21 0.03 4.81 -0.50 -3.88 118.16 114.25 2kfx n LYS 86 Ca 0.00 0.55 -0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2kfx n LYS 86 Cb 0.00 -1.83 -0.02 0.00 0.02 0.00 0.00 35.03 33.20 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 -3.46 -1.22 -0.56 3.14 1.11 0.31 -5.05 116.67 110.94 2kfx s ASP 87 Ca -0.01 -0.48 -0.28 0.00 0.18 0.00 0.00 52.55 51.95 2kfx s ASP 87 Cb 0.03 1.82 0.03 0.00 1.07 0.00 0.00 42.92 45.87 2kfx s ASP 87 CO 0.11 -0.24 1.25 1.51 1.18 0.00 0.00 175.17 178.98 2kfx s ASP 88 N 2.21 6.40 0.00 0.27 -4.77 -0.87 -3.42 116.67 116.49 2kfx s ASP 88 Ca 0.14 0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.61 2kfx s ASP 88 Cb -0.08 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 2kfx s ASP 88 CO -0.15 -1.50 0.00 -1.54 0.70 0.00 0.00 175.17 172.68