#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9p h PRO 4 N -0.77 0.17 -0.20 0.00 0.11 -2.05 -0.10 132.00 129.15 1k9p h PRO 4 Ca -0.46 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1k9p h PRO 4 Cb 1.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1k9p h PRO 4 CO 0.48 0.11 -0.33 1.25 -0.21 0.00 0.00 178.00 179.30 1k9p h LEU 5 N 0.18 0.44 -0.85 2.35 5.85 -1.99 -0.38 115.31 120.91 1k9p h LEU 5 Ca 0.34 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1k9p h LEU 5 Cb 0.55 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1k9p h LEU 5 CO -0.50 0.75 -0.06 0.44 -0.34 0.00 0.00 178.44 178.73 1k9p h ASP 6 N 0.36 0.77 -0.43 1.25 3.32 -1.65 -1.13 116.42 118.92 1k9p h ASP 6 Ca 0.04 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1k9p h ASP 6 Cb 0.77 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1k9p h ASP 6 CO 0.06 0.88 0.06 -0.61 -1.72 0.00 0.00 179.24 177.90 1k9p h GLN 7 N 0.73 0.73 -0.24 3.56 4.15 -0.52 -1.31 115.11 122.20 1k9p h GLN 7 Ca 0.13 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.37 1k9p h GLN 7 Cb 0.53 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1k9p h GLN 7 CO 0.03 0.77 0.09 0.00 -1.93 0.00 0.00 178.83 177.79 1k9p h ALA 8 N 0.93 0.28 -0.69 3.38 0.00 -0.68 -1.65 119.26 120.83 1k9p h ALA 8 Ca 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1k9p h ALA 8 Cb 0.40 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1k9p h ALA 8 CO 0.01 -0.32 0.14 0.82 0.00 0.00 0.00 179.25 179.90 1k9p h ILE 9 N 0.21 1.26 -0.93 0.00 2.04 -1.11 -1.55 117.51 117.44 1k9p h ILE 9 Ca 0.10 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1k9p h ILE 9 Cb 0.06 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1k9p h ILE 9 CO -0.10 0.38 0.56 1.23 0.00 0.00 0.00 178.15 180.22 1k9p h GLY 10 N 1.07 1.35 1.12 5.37 0.00 -0.90 -0.92 103.07 110.15 1k9p h GLY 10 Ca 0.21 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1k9p h GLY 10 CO 0.01 0.54 -0.31 1.41 0.00 0.00 0.00 176.54 178.20 1k9p h LEU 11 N 1.28 1.02 -0.62 3.11 3.38 -1.02 -0.17 115.31 122.29 1k9p h LEU 11 Ca 0.33 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1k9p h LEU 11 Cb -0.05 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1k9p h LEU 11 CO -0.06 1.24 0.40 -0.07 0.09 0.00 0.00 178.44 180.03 1k9p h LEU 12 N 0.82 0.68 -0.38 1.67 3.38 -0.82 -0.64 115.31 120.01 1k9p h LEU 12 Ca 0.09 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1k9p h LEU 12 Cb 0.90 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1k9p h LEU 12 CO 0.08 0.48 -0.28 0.58 0.09 0.00 0.00 178.44 179.40 1k9p h VAL 13 N 0.80 1.28 0.25 1.22 2.07 -1.05 -2.17 116.25 118.64 1k9p h VAL 13 Ca 0.24 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1k9p h VAL 13 Cb -0.05 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1k9p h VAL 13 CO -0.07 0.48 -0.12 0.00 0.02 0.00 0.00 177.57 177.88 1k9p h ALA 14 N 0.78 -0.34 -0.53 1.67 0.00 -0.69 -1.58 119.26 118.59 1k9p h ALA 14 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1k9p h ALA 14 Cb 0.85 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1k9p h ALA 14 CO 0.07 -0.68 0.23 0.82 0.00 0.00 0.00 179.25 179.69 1k9p h ILE 15 N -0.34 1.19 0.27 0.00 1.08 -1.15 -1.59 117.51 116.96 1k9p h ILE 15 Ca -0.03 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1k9p h ILE 15 Cb 0.26 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1k9p h ILE 15 CO 0.06 0.23 -0.13 0.15 -0.69 0.00 0.00 178.15 177.76 1k9p h PHE 16 N 0.75 -0.34 0.00 1.37 3.57 -1.10 -2.84 116.94 118.35 1k9p h PHE 16 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1k9p h PHE 16 Cb 0.12 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1k9p h PHE 16 CO 0.01 -0.21 -0.15 0.45 -2.23 0.00 0.00 178.31 176.17 1k9p h HIS 17 N -0.36 0.00 -0.54 0.41 3.86 -1.04 0.20 115.15 117.67 1k9p h HIS 17 Ca -0.04 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1k9p h HIS 17 Cb 0.28 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1k9p h HIS 17 CO -0.06 0.15 0.22 -0.22 0.86 0.00 0.00 177.93 178.88 1k9p h LYS 18 N 0.00 0.78 0.01 2.45 3.64 -1.05 -1.95 116.57 120.46 1k9p h LYS 18 Ca -0.00 -0.12 -0.35 0.00 -1.27 0.00 0.00 60.65 58.91 1k9p h LYS 18 Cb 0.30 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 1k9p h LYS 18 CO 0.02 0.65 -2.18 0.66 -2.27 0.00 0.00 179.45 176.33 1k9p n TYR 19 N -4.34 0.41 0.22 1.91 4.02 -0.87 -4.31 117.16 114.20 1k9p n TYR 19 Ca 0.04 0.13 0.10 0.00 -0.01 0.00 0.00 57.90 58.16 1k9p n TYR 19 Cb 0.16 -1.07 0.45 0.00 -0.02 0.00 0.00 39.34 38.87 1k9p n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1k9p h SER 20 N 0.01 0.00 0.57 7.72 4.64 -0.63 -2.97 113.55 122.89 1k9p h SER 20 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1k9p h SER 20 Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1k9p h SER 20 CO 0.03 0.22 -0.07 0.61 -0.87 0.00 0.00 176.83 176.75 1k9p n GLY 21 N 0.18 -1.21 0.25 -0.77 0.00 -0.74 -4.02 105.19 98.88 1k9p n GLY 21 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1k9p n GLY 21 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k9p h ARG 22 N 0.18 0.68 -3.21 1.61 3.08 -1.72 -3.45 114.38 111.56 1k9p h ARG 22 Ca 0.00 -0.31 -0.20 0.00 0.07 0.00 0.00 59.98 59.54 1k9p h ARG 22 Cb 0.36 -0.01 -0.28 0.00 0.08 0.00 0.00 29.97 30.11 1k9p h ARG 22 CO 0.00 0.91 -0.52 -1.83 -1.07 0.00 0.00 179.97 177.46 1k9p s GLU 23 N -4.43 0.19 7.15 0.04 -1.05 -1.26 -5.11 118.70 114.23 1k9p s GLU 23 Ca -0.09 0.35 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 1k9p s GLU 23 Cb 0.13 -0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1k9p s GLU 23 CO 0.83 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 177.36 1k9p n GLY 24 N 3.57 3.13 3.71 -3.83 0.00 -1.26 -4.71 105.19 105.80 1k9p n GLY 24 Ca -0.19 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1k9p n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k9p s ASP 25 N -4.00 6.96 0.00 1.61 2.15 -1.26 -4.92 116.67 117.21 1k9p s ASP 25 Ca 0.00 2.15 0.26 0.00 0.43 0.00 0.00 52.55 55.39 1k9p s ASP 25 Cb 0.00 -2.58 1.53 0.00 -0.30 0.00 0.00 42.92 41.56 1k9p s ASP 25 CO 0.00 -0.56 1.90 2.29 -0.17 0.00 0.00 175.17 178.63 1k9p n LYS 26 N 3.97 0.78 0.00 4.34 2.85 -1.26 -3.03 118.16 125.81 1k9p n LYS 26 Ca 0.10 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.49 1k9p n LYS 26 Cb 0.44 -1.50 0.38 0.00 -0.65 0.00 0.00 35.03 33.71 1k9p n LYS 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1k9p n HIS 27 N -1.02 0.00 -4.08 5.58 8.25 -1.26 -4.63 115.22 118.06 1k9p n HIS 27 Ca 0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.55 1k9p n HIS 27 Cb 0.10 -0.17 -0.08 0.00 1.12 0.00 0.00 29.99 30.96 1k9p n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1k9p s THR 28 N -2.63 0.01 0.03 1.59 -4.23 -1.17 -3.77 115.64 105.48 1k9p s THR 28 Ca 0.21 -1.66 -0.14 0.00 -1.18 0.00 0.00 61.69 58.93 1k9p s THR 28 Cb 0.19 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.79 1k9p s THR 28 CO 0.56 -0.06 0.30 -1.48 -0.54 0.00 0.00 174.62 173.39 1k9p s LEU 29 N -3.07 0.91 0.67 4.79 2.34 -0.86 -4.54 118.68 118.93 1k9p s LEU 29 Ca 0.28 -0.16 -0.11 0.00 0.06 0.00 0.00 54.13 54.20 1k9p s LEU 29 Cb 0.03 1.31 -0.01 0.00 -0.56 0.00 0.00 46.19 46.96 1k9p s LEU 29 CO 0.09 -0.58 1.06 -0.94 -1.06 0.00 0.00 176.35 174.92 1k9p s SER 30 N -1.94 5.73 0.51 1.48 1.04 -1.26 -0.13 113.70 119.13 1k9p s SER 30 Ca -0.06 1.34 0.28 0.00 0.48 0.00 0.00 55.95 57.98 1k9p s SER 30 Cb -0.02 -2.26 1.36 0.00 0.10 0.00 0.00 66.02 65.21 1k9p s SER 30 CO -0.02 -1.18 2.02 0.11 0.98 0.00 0.00 173.24 175.14 1k9p h LYS 31 N -0.54 0.00 -0.25 4.02 1.57 -0.96 0.97 116.57 121.38 1k9p h LYS 31 Ca -0.45 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.24 1k9p h LYS 31 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1k9p h LYS 31 CO 0.62 0.13 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.21 1k9p h LYS 32 N 0.00 0.57 -0.10 3.15 3.64 -1.58 -1.51 116.57 120.74 1k9p h LYS 32 Ca -0.00 -0.28 -0.11 0.00 -1.27 0.00 0.00 60.65 58.99 1k9p h LYS 32 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1k9p h LYS 32 CO 0.02 0.87 -0.42 0.93 -2.27 0.00 0.00 179.45 178.58 1k9p h GLU 33 N 0.28 0.23 -0.33 1.90 5.08 -1.54 -2.39 114.58 117.82 1k9p h GLU 33 Ca 0.04 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1k9p h GLU 33 Cb 0.74 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1k9p h GLU 33 CO 0.05 0.62 -0.27 1.25 -1.00 0.00 0.00 179.01 179.66 1k9p h LEU 34 N 0.20 0.68 -0.49 1.33 5.85 -0.69 -0.66 115.31 121.53 1k9p h LEU 34 Ca 0.02 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1k9p h LEU 34 Cb 0.83 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1k9p h LEU 34 CO 0.06 0.92 0.06 0.50 -0.34 0.00 0.00 178.44 179.64 1k9p h LYS 35 N 0.57 0.82 -0.36 1.25 3.64 -0.99 -1.53 116.57 119.99 1k9p h LYS 35 Ca 0.07 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1k9p h LYS 35 Cb 0.76 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1k9p h LYS 35 CO 0.06 0.84 0.20 1.49 -2.27 0.00 0.00 179.45 179.77 1k9p h GLU 36 N 0.69 0.49 -0.27 1.90 4.81 -1.22 -1.99 114.58 119.00 1k9p h GLU 36 Ca 0.15 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1k9p h GLU 36 Cb 0.43 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1k9p h GLU 36 CO 0.01 0.40 -0.07 1.25 -0.73 0.00 0.00 179.01 179.87 1k9p h LEU 37 N 0.45 -0.25 -0.38 1.64 6.46 -0.86 -0.81 115.31 121.56 1k9p h LEU 37 Ca 0.13 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1k9p h LEU 37 Cb 0.04 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1k9p h LEU 37 CO -0.02 -0.09 0.25 0.40 -0.62 0.00 0.00 178.44 178.36 1k9p h ILE 38 N 0.00 1.10 -0.10 4.05 1.08 -1.11 0.22 117.51 122.75 1k9p h ILE 38 Ca 0.13 -0.19 -0.07 0.00 -0.39 0.00 0.00 64.86 64.35 1k9p h ILE 38 Cb 0.20 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1k9p h ILE 38 CO -0.28 0.10 -0.24 1.56 -0.69 0.00 0.00 178.15 178.60 1k9p h GLN 39 N 0.51 0.17 0.07 2.37 4.20 -0.99 -2.67 115.11 118.77 1k9p h GLN 39 Ca 0.14 -0.05 -0.34 0.00 0.06 0.00 0.00 58.65 58.46 1k9p h GLN 39 Cb -0.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1k9p h GLN 39 CO -0.03 0.41 -1.92 1.63 -0.67 0.00 0.00 178.83 178.25 1k9p n LYS 40 N -4.19 0.70 0.00 1.46 4.76 -0.34 -4.42 118.16 116.13 1k9p n LYS 40 Ca -0.01 0.26 0.12 0.00 -2.87 0.00 0.00 58.31 55.81 1k9p n LYS 40 Cb 0.34 -1.73 0.33 0.00 -1.84 0.00 0.00 35.03 32.13 1k9p n LYS 40 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1k9p n GLU 41 N -3.27 0.09 -4.63 1.97 -0.58 0.76 -4.87 120.64 110.11 1k9p n GLU 41 Ca -0.27 -0.05 -0.25 0.00 -0.42 0.00 0.00 57.16 56.17 1k9p n GLU 41 Cb 1.05 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 30.28 1k9p n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1k9p s LEU 42 N -2.94 2.17 -1.40 -4.62 1.43 -1.01 -5.03 118.68 107.29 1k9p s LEU 42 Ca 0.13 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 1k9p s LEU 42 Cb 0.18 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 45.52 1k9p s LEU 42 CO 0.65 0.15 2.10 0.41 0.23 0.00 0.00 176.35 179.90 1k9p n THR 43 N 1.83 3.74 0.81 5.49 -1.04 -1.26 -4.48 114.28 119.37 1k9p n THR 43 Ca -0.17 -3.47 0.09 0.00 -2.04 0.00 0.00 64.05 58.46 1k9p n THR 43 Cb 0.53 -2.53 0.03 0.00 -1.82 0.00 0.00 70.33 66.55 1k9p n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k9p n ILE 44 N 4.61 0.00 -0.34 12.58 3.06 -1.26 -4.66 119.36 133.35 1k9p n ILE 44 Ca 0.48 -0.39 0.23 0.00 -2.50 0.00 0.00 62.75 60.57 1k9p n ILE 44 Cb 0.38 1.29 0.49 0.00 0.54 0.00 0.00 39.64 42.34 1k9p n ILE 44 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1k9p h GLY 45 N 3.88 1.47 1.76 4.50 0.00 -1.88 0.82 103.07 113.61 1k9p h GLY 45 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1k9p h GLY 45 CO 0.00 -0.21 -0.07 -1.14 0.00 0.00 0.00 176.54 175.12 1k9p n SER 46 N -4.73 0.09 -0.32 0.19 3.41 -1.26 -3.84 113.62 107.16 1k9p n SER 46 Ca 0.27 0.26 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 1k9p n SER 46 Cb 0.90 -0.35 0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1k9p n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k9p n LYS 47 N -1.44 1.41 0.27 4.33 5.02 0.25 -4.67 118.16 123.33 1k9p n LYS 47 Ca 0.08 -0.83 0.18 0.00 -2.02 0.00 0.00 58.31 55.72 1k9p n LYS 47 Cb 0.32 -1.14 0.99 0.00 -0.02 0.00 0.00 35.03 35.18 1k9p n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1k9p h LEU 48 N 1.55 0.00 -0.58 -0.35 3.38 -1.57 -1.20 115.31 116.54 1k9p h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k9p h LEU 48 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1k9p h LEU 48 CO 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 178.44 178.11 1k9p n GLN 49 N -2.77 0.82 -1.73 1.13 1.13 -1.26 -3.87 117.38 110.83 1k9p n GLN 49 Ca -0.02 -0.58 -0.42 0.00 -1.94 0.00 0.00 57.00 54.03 1k9p n GLN 49 Cb 0.06 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.90 1k9p n GLN 49 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1k9p n ASP 50 N -0.58 3.80 -0.28 1.08 9.92 -0.45 -4.78 116.55 125.26 1k9p n ASP 50 Ca 0.10 1.12 0.04 0.00 -0.53 0.00 0.00 54.79 55.53 1k9p n ASP 50 Cb 0.39 -1.57 0.13 0.00 -0.64 0.00 0.00 41.12 39.43 1k9p n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k9p h ALA 51 N 5.26 0.66 -0.06 2.24 0.00 -1.91 0.70 119.26 126.15 1k9p h ALA 51 Ca -0.46 0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 1k9p h ALA 51 Cb 1.22 0.56 0.01 0.00 0.00 0.00 0.00 17.79 19.58 1k9p h ALA 51 CO 0.83 -0.43 -0.91 0.93 0.00 0.00 0.00 179.25 179.67 1k9p h GLU 52 N 0.03 0.67 -0.38 0.00 5.08 -1.95 -2.94 114.58 115.09 1k9p h GLU 52 Ca 0.41 -0.64 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 1k9p h GLU 52 Cb 0.69 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1k9p h GLU 52 CO -0.79 1.24 -0.29 0.82 -1.00 0.00 0.00 179.01 178.99 1k9p h ILE 53 N 0.41 1.28 -0.69 3.13 2.04 -1.74 -2.71 117.51 119.22 1k9p h ILE 53 Ca -0.09 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.34 1k9p h ILE 53 Cb 1.55 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 1k9p h ILE 53 CO 0.18 0.48 0.46 0.00 0.00 0.00 0.00 178.15 179.27 1k9p h ALA 54 N 0.96 1.52 -0.07 1.87 0.00 -0.90 -0.90 119.26 121.74 1k9p h ALA 54 Ca 0.08 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1k9p h ALA 54 Cb 0.84 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1k9p h ALA 54 CO 0.07 0.44 -0.58 0.00 0.00 0.00 0.00 179.25 179.18 1k9p h ARG 55 N 0.92 0.24 -0.23 0.00 -0.00 -1.31 0.18 114.38 114.17 1k9p h ARG 55 Ca 0.26 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.98 59.53 1k9p h ARG 55 Cb -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 29.90 1k9p h ARG 55 CO -0.06 0.75 -0.07 -0.07 0.00 0.00 0.00 179.97 180.52 1k9p h LEU 56 N 0.18 0.47 -1.05 3.04 3.38 -1.07 -1.27 115.31 118.99 1k9p h LEU 56 Ca -0.00 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 1k9p h LEU 56 Cb 1.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1k9p h LEU 56 CO 0.09 0.74 0.15 0.24 0.09 0.00 0.00 178.44 179.75 1k9p h MET 57 N 0.19 0.83 -0.34 1.13 2.86 -1.07 -2.50 114.93 116.04 1k9p h MET 57 Ca 0.06 -0.16 -0.16 0.00 -2.06 0.00 0.00 59.70 57.38 1k9p h MET 57 Cb 0.55 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1k9p h MET 57 CO 0.03 0.74 -0.42 0.93 1.06 0.00 0.00 176.91 179.25 1k9p h GLU 58 N 0.80 0.85 -0.81 1.72 5.08 -0.85 -2.62 114.58 118.75 1k9p h GLU 58 Ca 0.18 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1k9p h GLU 58 Cb 0.27 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1k9p h GLU 58 CO -0.00 1.10 0.53 0.22 -1.00 0.00 0.00 179.01 179.86 1k9p h ASP 59 N 0.69 0.89 -0.57 1.42 3.58 -0.92 0.66 116.42 122.18 1k9p h ASP 59 Ca 0.05 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 1k9p h ASP 59 Cb 0.99 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 1k9p h ASP 59 CO 0.10 0.63 0.11 -0.07 -2.88 0.00 0.00 179.24 177.13 1k9p h LEU 60 N 1.05 0.89 -0.27 2.28 3.38 -1.27 -2.06 115.31 119.30 1k9p h LEU 60 Ca 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1k9p h LEU 60 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1k9p h LEU 60 CO -0.08 0.91 0.09 0.44 0.09 0.00 0.00 178.44 179.89 1k9p h ASP 61 N 0.83 0.39 0.31 -0.43 3.32 -0.88 0.45 116.42 120.41 1k9p h ASP 61 Ca 0.17 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1k9p h ASP 61 Cb 0.39 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1k9p h ASP 61 CO 0.01 0.48 -0.04 0.03 -1.72 0.00 0.00 179.24 178.00 1k9p h ARG 62 N 0.28 0.00 0.00 3.56 3.08 -0.79 -2.44 114.38 118.07 1k9p h ARG 62 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1k9p h ARG 62 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1k9p h ARG 62 CO -0.00 0.04 -0.49 0.09 -1.07 0.00 0.00 179.97 178.53 1k9p n ASN 63 N -3.34 1.71 -0.46 7.04 3.02 -0.79 -4.90 115.26 117.54 1k9p n ASN 63 Ca -0.02 -3.68 0.40 0.00 -0.03 0.00 0.00 54.58 51.25 1k9p n ASN 63 Cb 0.17 -0.50 0.74 0.00 -0.61 0.00 0.00 39.78 39.58 1k9p n ASN 63 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1k9p h LYS 64 N 0.90 0.04 -0.07 3.52 2.10 -0.40 -1.36 116.57 121.30 1k9p h LYS 64 Ca -0.02 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1k9p h LYS 64 Cb 1.07 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1k9p h LYS 64 CO 0.01 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.23 1k9p n ASP 65 N -4.20 2.42 -4.79 7.07 8.00 -1.26 -1.79 116.55 122.01 1k9p n ASP 65 Ca 0.33 -1.80 -0.36 0.00 0.71 0.00 0.00 54.79 53.66 1k9p n ASP 65 Cb 1.48 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 42.49 1k9p n ASP 65 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1k9p s GLN 66 N -1.93 4.44 0.42 -1.24 -0.21 -0.51 -4.83 119.66 115.81 1k9p s GLN 66 Ca 0.33 1.35 -0.09 0.00 0.02 0.00 0.00 55.36 56.97 1k9p s GLN 66 Cb 0.20 -2.67 -0.06 0.00 1.00 0.00 0.00 33.01 31.49 1k9p s GLN 66 CO 0.31 0.14 0.77 -1.21 -2.12 0.00 0.00 175.29 173.19 1k9p s GLU 67 N -2.29 3.73 -0.05 2.91 0.41 -1.26 -1.11 118.70 121.03 1k9p s GLU 67 Ca 0.53 0.41 0.01 0.00 -0.41 0.00 0.00 54.97 55.52 1k9p s GLU 67 Cb -0.18 -2.39 0.02 0.00 -1.78 0.00 0.00 34.13 29.80 1k9p s GLU 67 CO 0.23 -0.07 -0.05 0.08 -0.49 0.00 0.00 175.26 174.96 1k9p s VAL 68 N -2.45 0.64 0.72 2.63 1.01 0.82 -4.87 120.40 118.90 1k9p s VAL 68 Ca 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1k9p s VAL 68 Cb -0.10 -0.66 0.13 0.00 0.00 0.00 0.00 36.38 35.74 1k9p s VAL 68 CO 0.34 0.26 0.99 0.54 0.00 0.00 0.00 175.10 177.23 1k9p s ASN 69 N 1.04 4.36 0.13 3.32 2.20 -1.26 -2.03 114.94 122.70 1k9p s ASN 69 Ca -0.09 -0.37 -0.21 0.00 -0.94 0.00 0.00 52.86 51.25 1k9p s ASN 69 Cb -0.14 -0.01 -0.03 0.00 -2.00 0.00 0.00 41.25 39.07 1k9p s ASN 69 CO -0.00 -1.85 1.69 0.15 -2.94 0.00 0.00 177.10 174.15 1k9p h PHE 70 N -0.51 -0.19 -0.44 1.54 3.57 -1.97 -1.11 116.94 117.82 1k9p h PHE 70 Ca -0.36 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.24 1k9p h PHE 70 Cb 1.27 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 40.04 1k9p h PHE 70 CO -0.18 -0.13 -0.04 0.37 -2.23 0.00 0.00 178.31 176.10 1k9p h GLN 71 N -0.07 0.07 -0.33 1.11 5.75 -1.94 -0.86 115.11 118.83 1k9p h GLN 71 Ca 0.09 -0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1k9p h GLN 71 Cb 0.20 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1k9p h GLN 71 CO -0.20 0.05 -0.11 0.93 -2.65 0.00 0.00 178.83 176.85 1k9p h GLU 72 N 0.07 0.57 -0.29 1.69 5.08 -1.87 -1.52 114.58 118.30 1k9p h GLU 72 Ca 0.22 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1k9p h GLU 72 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1k9p h GLU 72 CO -0.40 0.67 0.13 -0.92 -1.00 0.00 0.00 179.01 177.50 1k9p h TYR 73 N 0.53 0.43 -0.43 4.33 3.20 -0.31 -0.12 116.97 124.60 1k9p h TYR 73 Ca 0.10 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1k9p h TYR 73 Cb 0.50 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1k9p h TYR 73 CO 0.02 0.40 0.01 0.28 -1.64 0.00 0.00 178.16 177.23 1k9p h VAL 74 N 0.33 1.26 -0.73 1.81 2.07 -1.01 -1.25 116.25 118.72 1k9p h VAL 74 Ca 0.10 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1k9p h VAL 74 Cb 0.14 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1k9p h VAL 74 CO -0.01 0.35 0.45 0.74 0.02 0.00 0.00 177.57 179.12 1k9p h THR 75 N 0.60 1.06 -0.38 2.57 2.02 -1.14 -1.80 112.91 115.83 1k9p h THR 75 Ca 0.12 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1k9p h THR 75 Cb 0.48 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1k9p h THR 75 CO 0.02 0.16 0.24 0.15 0.37 0.00 0.00 175.52 176.46 1k9p h PHE 76 N 0.86 0.46 -0.63 3.16 3.57 -0.65 -1.86 116.94 121.86 1k9p h PHE 76 Ca 0.31 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.87 1k9p h PHE 76 Cb 0.08 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 1k9p h PHE 76 CO -0.05 0.29 0.42 -0.07 -2.23 0.00 0.00 178.31 176.67 1k9p h LEU 77 N 0.50 0.59 -0.33 0.59 3.38 -0.53 0.23 115.31 119.73 1k9p h LEU 77 Ca 0.14 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1k9p h LEU 77 Cb -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1k9p h LEU 77 CO -0.04 0.39 0.04 1.23 0.09 0.00 0.00 178.44 180.15 1k9p h GLY 78 N 0.67 0.60 1.00 0.83 0.00 -0.71 -0.09 103.07 105.38 1k9p h GLY 78 Ca 0.26 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1k9p h GLY 78 CO -0.08 0.38 0.33 0.00 0.00 0.00 0.00 176.54 177.18 1k9p h ALA 79 N 0.88 0.64 -0.24 3.60 0.00 -0.44 -2.48 119.26 121.23 1k9p h ALA 79 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1k9p h ALA 79 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1k9p h ALA 79 CO 0.01 0.09 0.10 1.25 0.00 0.00 0.00 179.25 180.69 1k9p h LEU 80 N 0.68 0.32 -1.06 0.00 5.85 -0.86 -3.01 115.31 117.24 1k9p h LEU 80 Ca 0.18 -0.16 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1k9p h LEU 80 Cb -0.08 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.77 1k9p h LEU 80 CO -0.04 0.40 0.62 0.00 -0.34 0.00 0.00 178.44 179.07 1k9p h ALA 81 N 0.94 1.67 -0.63 1.25 0.00 -0.74 0.76 119.26 122.51 1k9p h ALA 81 Ca 0.08 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1k9p h ALA 81 Cb 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1k9p h ALA 81 CO -0.01 0.01 0.42 -0.07 0.00 0.00 0.00 179.25 179.60 1k9p h LEU 82 N 0.82 0.51 -1.53 0.00 3.38 -1.31 0.15 115.31 117.33 1k9p h LEU 82 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1k9p h LEU 82 Cb 0.77 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1k9p h LEU 82 CO -0.32 0.32 -0.03 2.30 0.09 0.00 0.00 178.44 180.81 1k9p n ILE 83 N -4.48 0.00 -0.03 1.22 -5.35 -0.30 -4.63 119.36 105.78 1k9p n ILE 83 Ca 0.09 -0.49 -0.04 0.00 -0.27 0.00 0.00 62.75 62.05 1k9p n ILE 83 Cb 0.27 1.31 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 1k9p n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1k9p n TYR 84 N 0.78 0.00 -2.69 4.28 9.36 0.11 -4.84 117.16 124.16 1k9p n TYR 84 Ca 0.09 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.88 1k9p n TYR 84 Cb 0.38 -0.26 -0.03 0.00 -0.63 0.00 0.00 39.34 38.80 1k9p n TYR 84 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1k9p s ASN 85 N -4.30 7.25 0.33 2.98 3.84 0.50 -4.95 114.94 120.59 1k9p s ASN 85 Ca -0.07 1.54 0.02 0.00 0.21 0.00 0.00 52.86 54.56 1k9p s ASN 85 Cb 0.02 -2.56 0.59 0.00 -0.55 0.00 0.00 41.25 38.76 1k9p s ASN 85 CO 0.18 -0.43 1.98 -0.33 -2.79 0.00 0.00 177.10 175.70 1k9p h GLU 86 N 7.07 0.90 0.00 0.43 4.39 -1.95 -1.96 114.58 123.46 1k9p h GLU 86 Ca -0.32 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 1k9p h GLU 86 Cb 1.15 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1k9p h GLU 86 CO 0.84 0.60 -0.15 0.00 -1.16 0.00 0.00 179.01 179.14 1k9p h ALA 87 N 1.56 1.39 -0.15 3.43 0.00 -1.95 -2.35 119.26 121.19 1k9p h ALA 87 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k9p h ALA 87 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1k9p h ALA 87 CO -0.08 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1k9p n LEU 88 N -3.83 1.47 -4.82 0.00 4.77 -0.74 -4.87 117.00 108.98 1k9p n LEU 88 Ca -0.02 -0.62 -0.33 0.00 -0.03 0.00 0.00 56.01 55.01 1k9p n LEU 88 Cb 0.25 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1k9p n LEU 88 CO 0.32 0.31 0.69 -0.54 -1.33 0.00 0.00 177.39 176.84 1k9p s LYS 89 N -1.81 3.88 0.00 3.23 1.02 -0.89 -4.96 119.74 120.21 1k9p s LYS 89 Ca 0.31 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.47 1k9p s LYS 89 Cb 0.17 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1k9p s LYS 89 CO 0.25 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.75