#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 -3.67 -0.02 7.83 9.92 -1.26 -4.85 116.55 124.50 2kfx n ASP 2 Ca 0.00 -0.57 -0.16 0.00 -0.53 0.00 0.00 54.79 53.52 2kfx n ASP 2 Cb 0.00 -3.02 -0.13 0.00 -0.64 0.00 0.00 41.12 37.33 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 -1.18 0.22 0.00 -2.24 3.32 -2.07 -3.25 116.42 111.22 2kfx h ASP 3 Ca -0.48 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 55.65 2kfx h ASP 3 Cb 1.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kfx h ASP 3 CO 0.60 1.13 0.62 0.16 -1.72 0.00 0.00 179.24 180.02 2kfx h ILE 4 N -0.66 0.00 0.01 0.35 -2.65 -2.02 0.52 117.51 113.07 2kfx h ILE 4 Ca -0.06 0.00 -0.18 0.00 1.03 0.00 0.00 64.86 65.66 2kfx h ILE 4 Cb 1.22 0.12 -0.02 0.00 -2.05 0.00 0.00 36.82 36.08 2kfx h ILE 4 CO 0.06 0.00 -0.95 1.88 0.03 0.00 0.00 178.15 179.17 2kfx h TYR 5 N 0.00 0.04 -0.86 0.16 0.05 -1.95 -3.37 116.97 111.04 2kfx h TYR 5 Ca 0.00 -0.03 0.13 0.00 0.05 0.00 0.00 58.73 58.88 2kfx h TYR 5 Cb 1.23 -0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.88 2kfx h TYR 5 CO 0.00 1.37 0.47 0.87 -1.05 0.00 0.00 178.16 179.82 2kfx h LYS 6 N -0.93 0.69 -1.10 4.88 1.79 -0.06 0.14 116.57 121.98 2kfx h LYS 6 Ca -0.26 -0.04 0.32 0.00 -2.18 0.00 0.00 60.65 58.49 2kfx h LYS 6 Cb 1.27 -0.16 -0.12 0.00 -1.58 0.00 0.00 32.23 31.65 2kfx h LYS 6 CO -0.13 0.46 0.69 0.00 -1.08 0.00 0.00 179.45 179.38 2kfx h ALA 7 N 1.53 2.25 -0.00 3.86 0.00 -1.62 1.09 119.26 126.37 2kfx h ALA 7 Ca 0.45 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.30 2kfx h ALA 7 Cb 0.55 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2kfx h ALA 7 CO -0.32 -0.76 -0.79 0.00 0.00 0.00 0.00 179.25 177.38 2kfx h ALA 8 N 1.67 0.69 0.00 0.00 0.00 -1.14 -2.96 119.26 117.52 2kfx h ALA 8 Ca 0.68 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kfx h ALA 8 Cb 1.77 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2kfx h ALA 8 CO -0.41 0.97 0.00 0.28 0.00 0.00 0.00 179.25 180.09 2kfx n VAL 9 N -3.62 1.04 0.10 0.00 0.31 0.37 -1.51 118.33 115.03 2kfx n VAL 9 Ca -0.01 0.43 -0.03 0.00 -0.01 0.00 0.00 64.34 64.73 2kfx n VAL 9 Cb 0.76 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 32.28 2kfx n VAL 9 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2kfx h GLU 10 N 0.00 0.00 0.00 5.55 4.39 -1.27 -3.18 114.58 120.07 2kfx h GLU 10 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2kfx h GLU 10 Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2kfx h GLU 10 CO 0.00 0.77 -0.33 1.96 -1.16 0.00 0.00 179.01 180.25 2kfx h GLN 11 N 0.00 0.00 -6.44 2.33 4.20 -1.41 -3.43 115.11 110.36 2kfx h GLN 11 Ca -0.01 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.13 2kfx h GLN 11 Cb 1.56 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.28 2kfx h GLN 11 CO 0.10 0.33 0.95 -0.51 -0.67 0.00 0.00 178.83 179.02 2kfx s LEU 12 N -6.53 3.80 0.00 1.46 1.43 -1.20 -5.01 118.68 112.63 2kfx s LEU 12 Ca 0.03 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 2kfx s LEU 12 Cb 0.08 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.76 2kfx s LEU 12 CO 0.70 -1.12 0.00 0.41 0.23 0.00 0.00 176.35 176.57 2kfx n THR 13 N 6.39 0.00 0.00 5.49 -1.04 -1.26 -4.99 114.28 118.87 2kfx n THR 13 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2kfx n THR 13 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 2.91 0.08 -2.82 1.02 -1.26 -4.78 120.64 115.80 2kfx n GLU 14 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2kfx n GLU 14 Cb 0.00 -0.30 -0.08 0.00 -0.02 0.00 0.00 31.44 31.04 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 -3.14 114.58 117.99 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 0.86 -0.09 0.00 -1.00 0.00 0.00 179.01 178.79 2kfx n GLN 16 N -3.32 0.01 -0.01 2.33 -0.00 -1.26 -3.65 117.38 111.47 2kfx n GLN 16 Ca 0.00 0.01 -0.16 0.00 -0.00 0.00 0.00 57.00 56.85 2kfx n GLN 16 Cb 0.88 -1.52 -0.13 0.00 -0.00 0.00 0.00 30.24 29.48 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 0.20 -0.63 2.61 1.57 -1.85 -3.25 116.57 115.23 2kfx h LYS 17 Ca 0.00 -0.26 0.16 0.00 -1.87 0.00 0.00 60.65 58.67 2kfx h LYS 17 Cb 0.51 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2kfx h LYS 17 CO 0.00 1.04 0.44 -0.91 -0.57 0.00 0.00 179.45 179.45 2kfx h ASN 18 N -0.52 0.14 -0.45 0.86 -0.26 -1.63 -0.24 115.58 113.47 2kfx h ASN 18 Ca -0.06 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.70 2kfx h ASN 18 Cb 1.21 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 38.42 2kfx h ASN 18 CO 0.07 0.07 0.29 -0.33 -1.06 0.00 0.00 177.43 176.48 2kfx h GLU 19 N 0.15 0.57 0.23 0.81 4.39 -1.68 -1.30 114.58 117.76 2kfx h GLU 19 Ca 0.30 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2kfx h GLU 19 Cb 0.99 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2kfx h GLU 19 CO -0.04 0.38 -0.11 0.74 -1.16 0.00 0.00 179.01 178.82 2kfx h PHE 20 N 0.59 -0.29 -1.47 4.33 0.04 -1.19 -3.20 116.94 115.75 2kfx h PHE 20 Ca 0.17 -0.01 0.43 0.00 2.80 0.00 0.00 57.97 61.36 2kfx h PHE 20 Cb -0.04 0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.14 2kfx h PHE 20 CO -0.05 0.02 1.05 0.87 -0.60 0.00 0.00 178.31 179.60 2kfx h LYS 21 N -0.99 0.01 -0.17 1.51 1.57 -1.21 1.55 116.57 118.84 2kfx h LYS 21 Ca -0.03 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2kfx h LYS 21 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2kfx h LYS 21 CO 0.05 0.01 -0.27 0.00 -0.57 0.00 0.00 179.45 178.68 2kfx h ALA 22 N 1.28 1.24 -0.07 3.86 0.00 -1.23 -3.04 119.26 121.30 2kfx h ALA 22 Ca 0.71 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2kfx h ALA 22 Cb 2.80 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 20.49 2kfx h ALA 22 CO -0.03 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 2kfx h ALA 23 N 1.45 0.10 -0.70 0.00 0.00 0.22 -3.16 119.26 117.16 2kfx h ALA 23 Ca 0.04 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.89 2kfx h ALA 23 Cb 0.62 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.25 2kfx h ALA 23 CO 0.04 -0.20 -0.23 0.74 0.00 0.00 0.00 179.25 179.60 2kfx h PHE 24 N -0.19 -0.57 -1.19 0.00 -1.00 -1.41 0.86 116.94 113.45 2kfx h PHE 24 Ca 0.02 0.07 0.34 0.00 2.81 0.00 0.00 57.97 61.21 2kfx h PHE 24 Cb 0.39 0.36 -0.08 0.00 3.61 0.00 0.00 35.95 40.23 2kfx h PHE 24 CO 0.05 -0.34 0.81 -0.44 -1.61 0.00 0.00 178.31 176.78 2kfx h ASP 25 N -0.05 0.22 -0.09 2.17 3.32 -1.52 0.68 116.42 121.16 2kfx h ASP 25 Ca 0.32 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 57.18 2kfx h ASP 25 Cb 0.54 0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.13 2kfx h ASP 25 CO -0.74 0.00 -0.88 0.40 -1.72 0.00 0.00 179.24 176.31 2kfx h ILE 26 N 0.18 1.28 0.32 0.35 1.08 0.67 -3.03 117.51 118.36 2kfx h ILE 26 Ca 0.64 -2.07 -0.02 0.00 -0.39 0.00 0.00 64.86 63.02 2kfx h ILE 26 Cb 2.08 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.96 2kfx h ILE 26 CO -0.20 0.65 -0.16 -0.26 -0.69 0.00 0.00 178.15 177.50 2kfx h PHE 27 N 0.49 -0.40 -0.76 1.37 0.04 0.86 -3.32 116.94 115.22 2kfx h PHE 27 Ca -0.08 -0.01 -0.63 0.00 2.80 0.00 0.00 57.97 60.05 2kfx h PHE 27 Cb 1.51 0.13 -0.09 0.00 2.20 0.00 0.00 35.95 39.71 2kfx h PHE 27 CO 0.09 -0.25 2.17 1.33 -0.60 0.00 0.00 178.31 181.05 2kfx n VAL 28 N -4.15 4.50 1.64 -0.55 0.24 0.85 -4.62 118.33 116.24 2kfx n VAL 28 Ca -0.05 -3.43 0.00 0.00 -2.04 0.00 0.00 64.34 58.82 2kfx n VAL 28 Cb 0.17 -2.12 0.00 0.00 -1.47 0.00 0.00 33.84 30.43 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 2.09 0.09 0.00 1.34 -0.00 -1.15 -3.82 117.00 115.55 2kfx n LEU 29 Ca 0.62 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 2kfx n LEU 29 Cb 0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2kfx n LEU 29 CO 0.62 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.64 2kfx n GLY 30 N 0.33 0.00 3.82 1.47 0.00 -1.26 -5.10 105.19 104.45 2kfx n GLY 30 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.02 0.00 4.61 0.00 -1.25 -5.02 121.76 123.12 2kfx s ALA 31 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2kfx s ALA 31 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2kfx s ALA 31 CO 0.00 0.01 0.32 0.39 0.00 0.00 0.00 175.76 176.48 2kfx n GLU 32 N -0.83 0.00 0.01 0.00 1.02 -1.26 -4.50 120.64 115.08 2kfx n GLU 32 Ca 0.07 0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 2kfx n GLU 32 Cb 0.54 -0.82 -0.00 0.00 -0.02 0.00 0.00 31.44 31.13 2kfx n GLU 32 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2kfx h ASP 33 N 0.00 -0.04 0.00 1.62 2.03 -2.01 -3.48 116.42 114.54 2kfx h ASP 33 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kfx h ASP 33 Cb 0.00 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 2kfx h ASP 33 CO 0.00 0.07 0.00 0.61 -1.03 0.00 0.00 179.24 178.89 2kfx n GLY 34 N 1.50 0.00 3.93 7.15 0.00 -1.26 -5.16 105.19 111.35 2kfx n GLY 34 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 5.02 0.10 1.61 1.04 -1.26 -4.88 113.70 115.32 2kfx s SER 35 Ca 0.00 0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.94 2kfx s SER 35 Cb 0.00 -1.21 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 2kfx s SER 35 CO 0.00 -1.45 -0.11 -0.63 0.98 0.00 0.00 173.24 172.03 2kfx s ILE 36 N -3.15 1.02 0.28 -1.02 1.01 -1.26 -4.73 121.20 113.35 2kfx s ILE 36 Ca 0.59 -1.61 -0.21 0.00 0.00 0.00 0.00 60.65 59.41 2kfx s ILE 36 Cb -0.11 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.04 2kfx s ILE 36 CO 0.44 -0.50 0.72 -0.55 0.00 0.00 0.00 174.94 175.05 2kfx s SER 37 N -2.37 -0.26 0.28 3.58 0.15 -1.26 -3.52 113.70 110.31 2kfx s SER 37 Ca 0.05 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.15 2kfx s SER 37 Cb -0.04 0.73 0.30 0.00 -1.71 0.00 0.00 66.02 65.30 2kfx s SER 37 CO 0.01 -1.34 0.97 0.35 1.20 0.00 0.00 173.24 174.42 2kfx n THR 38 N -0.46 0.34 0.08 6.45 -2.24 -1.26 -0.62 114.28 116.56 2kfx n THR 38 Ca -0.04 0.71 -0.07 0.00 -2.27 0.00 0.00 64.05 62.38 2kfx n THR 38 Cb 0.59 -1.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.06 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 -0.28 -0.15 -0.78 1.57 -1.99 -3.31 116.57 111.62 2kfx h LYS 39 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2kfx h LYS 39 Cb 1.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2kfx h LYS 39 CO 0.00 -0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.24 2kfx n GLU 40 N -4.97 1.66 0.00 3.15 -0.58 0.20 -4.07 120.64 116.03 2kfx n GLU 40 Ca -0.06 -0.99 -0.00 0.00 -0.42 0.00 0.00 57.16 55.70 2kfx n GLU 40 Cb 0.19 -1.38 -0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 1.99 -0.00 -0.70 -4.62 7.12 -1.01 -3.33 115.31 114.75 2kfx h LEU 41 Ca 0.00 0.00 0.12 0.00 0.13 0.00 0.00 57.88 58.13 2kfx h LEU 41 Cb 0.44 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.48 2kfx h LEU 41 CO 0.00 0.01 0.28 1.23 -0.13 0.00 0.00 178.44 179.83 2kfx h GLY 42 N -0.04 1.03 -0.85 3.75 0.00 -1.75 -0.89 103.07 104.32 2kfx h GLY 42 Ca -0.00 -0.14 0.39 0.00 0.00 0.00 0.00 47.33 47.57 2kfx h GLY 42 CO 0.00 -0.05 0.74 0.50 0.00 0.00 0.00 176.54 177.73 2kfx h LYS 43 N 0.45 0.16 0.05 4.80 1.57 -1.74 1.21 116.57 123.08 2kfx h LYS 43 Ca 0.37 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.90 2kfx h LYS 43 Cb 0.50 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2kfx h LYS 43 CO -0.35 0.11 -1.10 0.28 -0.57 0.00 0.00 179.45 177.81 2kfx h VAL 44 N 0.17 1.63 0.00 0.50 2.07 -1.27 -3.13 116.25 116.20 2kfx h VAL 44 Ca 0.78 -3.27 0.00 0.00 0.82 0.00 0.00 66.70 65.03 2kfx h VAL 44 Cb 2.21 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 34.87 2kfx h VAL 44 CO -0.48 0.94 0.00 0.23 0.02 0.00 0.00 177.57 178.28 2kfx n MET 45 N -3.43 0.54 -0.02 1.57 2.81 0.40 -3.15 117.12 115.84 2kfx n MET 45 Ca -0.04 0.04 -0.16 0.00 -1.81 0.00 0.00 57.70 55.73 2kfx n MET 45 Cb 0.97 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.86 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 0.17 -0.56 0.03 2.43 -1.09 -2.09 114.38 113.27 2kfx h ARG 46 Ca 0.00 -0.24 0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2kfx h ARG 46 Cb 0.09 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.61 2kfx h ARG 46 CO 0.00 1.04 -0.24 0.52 -1.51 0.00 0.00 179.97 179.78 2kfx h MET 47 N -0.59 -0.10 0.00 0.20 2.86 -1.71 -3.17 114.93 112.42 2kfx h MET 47 Ca -0.06 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2kfx h MET 47 Cb 1.20 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2kfx h MET 47 CO 0.07 -0.07 0.00 1.28 1.06 0.00 0.00 176.91 179.25 2kfx n LEU 48 N -5.43 0.00 0.00 1.22 4.32 -1.25 -4.93 117.00 110.93 2kfx n LEU 48 Ca 0.05 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 2kfx n LEU 48 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2kfx n LEU 48 CO 0.04 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.82 2kfx n GLY 49 N -0.39 0.00 3.15 -0.72 0.00 -1.20 -5.17 105.19 100.86 2kfx n GLY 49 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.79 -0.37 1.61 -1.52 -0.79 -5.06 119.66 114.32 2kfx s GLN 50 Ca 0.00 -1.31 0.04 0.00 -1.95 0.00 0.00 55.36 52.13 2kfx s GLN 50 Cb 0.00 -0.11 0.31 0.00 -0.22 0.00 0.00 33.01 32.99 2kfx s GLN 50 CO 0.00 -0.04 1.28 -1.71 -0.25 0.00 0.00 175.29 174.57 2kfx n ASN 51 N -0.01 -1.60 -4.10 5.90 2.85 -1.26 -3.72 115.26 113.32 2kfx n ASN 51 Ca -0.12 -2.36 -0.30 0.00 -0.11 0.00 0.00 54.58 51.69 2kfx n ASN 51 Cb 0.61 1.31 0.19 0.00 1.24 0.00 0.00 39.78 43.13 2kfx n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2kfx s PRO 52 N 0.15 0.23 0.58 1.20 0.04 -1.26 -5.03 135.00 130.91 2kfx s PRO 52 Ca 0.22 -0.28 -0.17 0.00 0.04 0.00 0.00 61.00 60.81 2kfx s PRO 52 Cb 0.28 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.99 2kfx s PRO 52 CO -0.15 -2.71 1.08 -0.08 0.04 0.00 0.00 177.00 175.19 2kfx s THR 53 N -3.64 3.51 -1.23 1.26 -1.32 -1.26 -4.91 115.64 108.05 2kfx s THR 53 Ca 0.72 0.79 0.13 0.00 -1.21 0.00 0.00 61.69 62.12 2kfx s THR 53 Cb -0.06 -3.29 0.17 0.00 -1.51 0.00 0.00 72.50 67.81 2kfx s THR 53 CO 0.54 -0.35 1.37 -0.81 -2.21 0.00 0.00 174.62 173.16 2kfx n PRO 54 N -1.81 0.10 0.11 7.08 -0.04 -1.26 -2.46 135.00 136.71 2kfx n PRO 54 Ca 0.10 0.22 -0.19 0.00 -0.04 0.00 0.00 63.50 63.58 2kfx n PRO 54 Cb 0.52 -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 0.45 0.00 0.54 4.81 -2.00 -2.43 114.58 115.96 2kfx h GLU 55 Ca 0.00 -0.68 -0.17 0.00 -0.13 0.00 0.00 59.36 58.39 2kfx h GLU 55 Cb 0.17 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2kfx h GLU 55 CO 0.00 1.30 -0.79 0.93 -0.73 0.00 0.00 179.01 179.72 2kfx h GLU 56 N 0.17 0.00 0.08 1.92 5.08 -1.87 -3.34 114.58 116.62 2kfx h GLU 56 Ca -0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2kfx h GLU 56 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2kfx h GLU 56 CO 0.23 0.79 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.92 2kfx h LEU 57 N 0.00 -0.09 -0.46 1.33 3.38 -1.60 -3.09 115.31 114.79 2kfx h LEU 57 Ca -0.01 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2kfx h LEU 57 Cb 1.59 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2kfx h LEU 57 CO 0.10 0.52 0.77 -0.61 0.09 0.00 0.00 178.44 179.32 2kfx h GLN 58 N -0.76 0.00 0.47 1.13 5.75 -1.55 -0.54 115.11 119.60 2kfx h GLN 58 Ca -0.01 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2kfx h GLN 58 Cb 0.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.15 2kfx h GLN 58 CO 0.02 0.00 -0.22 0.93 -2.65 0.00 0.00 178.83 176.90 2kfx h GLU 59 N 0.00 -0.60 -1.30 1.69 5.08 -1.68 0.57 114.58 118.34 2kfx h GLU 59 Ca 0.00 0.04 0.38 0.00 -1.00 0.00 0.00 59.36 58.78 2kfx h GLU 59 Cb 1.55 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.85 2kfx h GLU 59 CO 0.00 -0.40 0.90 0.52 -1.00 0.00 0.00 179.01 179.02 2kfx h MET 60 N -0.65 0.11 0.12 2.33 2.86 -1.28 -1.01 114.93 117.42 2kfx h MET 60 Ca -0.06 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2kfx h MET 60 Cb 0.48 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2kfx h MET 60 CO 0.10 0.07 -0.06 0.82 1.06 0.00 0.00 176.91 178.91 2kfx h ILE 61 N 0.11 0.00 0.00 -1.22 5.03 -1.50 -3.23 117.51 116.70 2kfx h ILE 61 Ca 0.69 -0.64 0.00 0.00 -0.12 0.00 0.00 64.86 64.79 2kfx h ILE 61 Cb 2.38 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 36.17 2kfx h ILE 61 CO -0.17 0.00 0.51 -0.67 -0.68 0.00 0.00 178.15 177.14 2kfx n ASP 62 N -4.22 0.18 0.00 1.72 2.03 0.20 -1.14 116.55 115.32 2kfx n ASP 62 Ca -0.02 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2kfx n ASP 62 Cb 0.06 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 2kfx n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kfx n GLU 63 N -1.90 0.00 0.27 -0.67 1.02 -0.49 -4.21 120.64 114.67 2kfx n GLU 63 Ca -0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2kfx n GLU 63 Cb 0.52 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 32.22 2kfx n GLU 63 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2kfx h VAL 64 N 0.00 0.01 -0.13 2.62 -1.51 -1.56 -3.35 116.25 112.33 2kfx h VAL 64 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2kfx h VAL 64 Cb 0.00 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 29.35 2kfx h VAL 64 CO 0.00 0.00 0.06 0.47 -1.23 0.00 0.00 177.57 176.87 2kfx n ASP 65 N -2.71 1.26 -0.91 4.19 9.92 -0.29 -4.68 116.55 123.34 2kfx n ASP 65 Ca 0.02 -2.22 0.00 0.00 -0.53 0.00 0.00 54.79 52.06 2kfx n ASP 65 Cb 0.88 -1.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 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 8.11 0.83 -0.04 -1.24 -0.58 -1.26 -2.25 120.64 124.21 2kfx n GLU 66 Ca 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 2kfx n GLU 66 Cb 0.46 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 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 0.50 0.00 -2.61 1.62 5.68 -1.26 -5.00 116.55 115.48 2kfx n ASP 67 Ca 0.00 -1.01 -0.07 0.00 -0.50 0.00 0.00 54.79 53.21 2kfx n ASP 67 Cb 0.37 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.50 0.14 6.12 0.00 -0.96 -4.75 105.19 105.25 2kfx n GLY 68 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.86 1.61 4.64 -1.95 -3.47 113.55 110.43 2kfx h SER 69 Ca -0.14 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.96 2kfx h SER 69 Cb 1.10 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.28 2kfx h SER 69 CO 0.18 0.00 -0.40 0.61 -0.87 0.00 0.00 176.83 176.35 2kfx n GLY 70 N 1.00 0.06 0.53 -0.77 0.00 -1.26 -5.01 105.19 99.74 2kfx n GLY 70 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2kfx n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kfx n THR 71 N -3.61 0.00 -3.28 2.61 -2.24 -1.26 -4.72 114.28 101.77 2kfx n THR 71 Ca -0.04 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.35 2kfx n THR 71 Cb 0.55 0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 2kfx n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kfx s VAL 72 N -2.61 -0.38 0.00 2.28 1.01 -1.23 -4.72 120.40 114.75 2kfx s VAL 72 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2kfx s VAL 72 Cb -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2kfx s VAL 72 CO 0.03 -0.55 0.00 -0.90 0.00 0.00 0.00 175.10 173.67 2kfx n ASP 73 N 3.92 -0.19 -0.52 3.32 5.68 -1.26 -4.32 116.55 123.18 2kfx n ASP 73 Ca 0.14 -0.21 0.08 0.00 -0.50 0.00 0.00 54.79 54.31 2kfx n ASP 73 Cb 0.48 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.76 2kfx n ASP 73 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2kfx n PHE 74 N -0.91 0.27 0.00 2.11 7.35 -1.26 -3.92 117.46 121.10 2kfx n PHE 74 Ca 0.00 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 2kfx n PHE 74 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 0.27 0.00 0.11 -2.13 8.00 -1.26 -4.31 116.55 117.23 2kfx n ASP 75 Ca 0.14 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.66 2kfx n ASP 75 Cb 0.29 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.22 0.04 0.14 -1.24 0.28 -1.26 -1.53 120.64 116.84 2kfx n GLU 76 Ca 0.00 0.40 -0.06 0.00 -0.16 0.00 0.00 57.16 57.35 2kfx n GLU 76 Cb 0.00 -2.07 -0.03 0.00 1.43 0.00 0.00 31.44 30.77 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 -0.23 -1.84 3.57 -1.78 -2.50 116.94 113.81 2kfx h PHE 77 Ca 0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2kfx h PHE 77 Cb 0.91 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2kfx h PHE 77 CO 0.00 -0.21 0.72 -0.07 -2.23 0.00 0.00 178.31 176.51 2kfx h LEU 78 N -0.48 0.00 -0.08 0.59 3.38 -1.47 1.43 115.31 118.69 2kfx h LEU 78 Ca -0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 2kfx h LEU 78 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kfx h LEU 78 CO 0.06 0.00 -1.04 0.58 0.09 0.00 0.00 178.44 178.13 2kfx h VAL 79 N 0.00 1.48 -0.34 1.22 2.07 -1.55 -2.58 116.25 116.55 2kfx h VAL 79 Ca 0.11 -2.79 -0.02 0.00 0.82 0.00 0.00 66.70 64.82 2kfx h VAL 79 Cb 1.54 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.95 2kfx h VAL 79 CO -0.00 0.82 0.11 -0.03 0.02 0.00 0.00 177.57 178.48 2kfx h MET 80 N 0.12 0.48 0.04 1.57 1.85 0.24 -1.44 114.93 117.80 2kfx h MET 80 Ca -0.09 -0.07 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 2kfx h MET 80 Cb 1.72 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.66 2kfx h MET 80 CO 0.17 0.43 -0.02 0.52 -0.40 0.00 0.00 176.91 177.61 2kfx h MET 81 N 0.48 -0.05 -0.75 0.39 2.07 -1.54 -2.79 114.93 112.74 2kfx h MET 81 Ca 0.12 0.00 0.15 0.00 -2.07 0.00 0.00 59.70 57.90 2kfx h MET 81 Cb 0.15 0.01 -0.14 0.00 -1.87 0.00 0.00 31.60 29.75 2kfx h MET 81 CO -0.01 -0.03 -0.21 0.28 1.07 0.00 0.00 176.91 178.01 2kfx h VAL 82 N -0.98 0.22 0.33 -2.22 2.07 -1.47 0.80 116.25 115.00 2kfx h VAL 82 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2kfx h VAL 82 Cb 0.04 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2kfx h VAL 82 CO 0.01 0.00 -0.18 0.03 0.02 0.00 0.00 177.57 177.45 2kfx h ARG 83 N -0.02 -0.45 -1.09 1.57 3.08 -1.41 1.26 114.38 117.33 2kfx h ARG 83 Ca 0.35 0.03 0.30 0.00 0.07 0.00 0.00 59.98 60.73 2kfx h ARG 83 Cb 0.56 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.63 2kfx h ARG 83 CO -0.78 -0.30 0.73 0.77 -1.07 0.00 0.00 179.97 179.32 2kfx h SER 84 N -0.47 0.30 0.00 7.04 0.02 -1.13 0.75 113.55 120.06 2kfx h SER 84 Ca -0.05 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kfx h SER 84 Cb 0.36 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2kfx h SER 84 CO 0.06 0.04 0.00 0.23 -1.14 0.00 0.00 176.83 176.03 2kfx n MET 85 N -4.51 0.00 0.12 3.45 2.81 0.27 -1.43 117.12 117.84 2kfx n MET 85 Ca 0.26 0.35 0.17 0.00 -1.81 0.00 0.00 57.70 56.67 2kfx n MET 85 Cb 1.01 -0.90 0.53 0.00 -0.71 0.00 0.00 33.22 33.15 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 -0.97 0.03 3.64 0.18 -3.30 116.57 116.15 2kfx h LYS 86 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2kfx h LYS 86 Cb 0.00 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.61 2kfx h LYS 86 CO 0.00 0.00 -0.38 -0.51 -2.27 0.00 0.00 179.45 176.29 2kfx s ASP 87 N -4.13 -1.57 0.31 4.20 1.01 0.26 -5.04 116.67 111.70 2kfx s ASP 87 Ca -0.03 -0.01 -0.27 0.00 0.71 0.00 0.00 52.55 52.95 2kfx s ASP 87 Cb 0.10 1.99 -0.09 0.00 1.01 0.00 0.00 42.92 45.93 2kfx s ASP 87 CO 0.35 -0.26 0.99 1.51 0.21 0.00 0.00 175.17 177.97 2kfx s ASP 88 N 2.63 7.28 0.00 0.27 -4.77 -0.51 -3.71 116.67 117.86 2kfx s ASP 88 Ca 0.12 1.99 0.00 0.00 -3.30 0.00 0.00 52.55 51.36 2kfx s ASP 88 Cb -0.08 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 2kfx s ASP 88 CO -0.22 -0.12 0.00 -1.54 0.70 0.00 0.00 175.17 174.00