#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9q s GLU 2 N 0.00 4.27 0.14 0.03 0.41 -1.26 -4.93 118.70 117.36 2k9q s GLU 2 Ca 0.00 1.96 -0.16 0.00 -0.41 0.00 0.00 54.97 56.36 2k9q s GLU 2 Cb 0.00 -2.91 0.01 0.00 -1.78 0.00 0.00 34.13 29.45 2k9q s GLU 2 CO 0.00 -0.17 1.72 1.25 -0.49 0.00 0.00 175.26 177.57 2k9q h LEU 3 N 3.12 0.55 -1.30 1.80 5.85 -2.01 -2.50 115.31 120.83 2k9q h LEU 3 Ca -0.48 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 2k9q h LEU 3 Cb 1.23 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2k9q h LEU 3 CO 0.64 0.53 0.41 0.28 -0.34 0.00 0.00 178.44 179.96 2k9q h SER 4 N 0.54 0.78 -0.40 1.25 0.02 -1.92 0.50 113.55 114.31 2k9q h SER 4 Ca 0.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2k9q h SER 4 Cb 0.12 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2k9q h SER 4 CO -0.02 0.59 0.21 -1.13 -1.14 0.00 0.00 176.83 175.34 2k9q h ASN 5 N 0.91 0.51 -0.25 3.07 -1.24 -1.84 0.68 115.58 117.41 2k9q h ASN 5 Ca 0.24 -0.10 -0.14 0.00 0.71 0.00 0.00 56.30 57.01 2k9q h ASN 5 Cb -0.06 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 2k9q h ASN 5 CO -0.05 0.46 -0.40 -0.08 -1.29 0.00 0.00 177.43 176.08 2k9q h GLU 6 N 0.52 0.72 -0.43 6.67 4.81 -1.10 -2.56 114.58 123.21 2k9q h GLU 6 Ca 0.14 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 2k9q h GLU 6 Cb 0.07 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2k9q h GLU 6 CO -0.02 1.06 0.20 1.25 -0.73 0.00 0.00 179.01 180.77 2k9q h LEU 7 N 0.45 0.56 -1.13 1.64 5.85 -0.70 -2.53 115.31 119.45 2k9q h LEU 7 Ca 0.02 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2k9q h LEU 7 Cb 0.99 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2k9q h LEU 7 CO 0.09 0.53 -0.12 0.07 -0.34 0.00 0.00 178.44 178.67 2k9q h LYS 8 N 0.55 0.46 -0.42 1.25 2.10 -0.89 -2.74 116.57 116.88 2k9q h LYS 8 Ca 0.15 -0.13 0.02 0.00 -2.00 0.00 0.00 60.65 58.69 2k9q h LYS 8 Cb 0.12 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.37 2k9q h LYS 8 CO -0.02 0.59 0.24 0.28 -2.00 0.00 0.00 179.45 178.53 2k9q h VAL 9 N 0.43 1.02 -0.32 0.07 2.07 -1.02 0.21 116.25 118.71 2k9q h VAL 9 Ca 0.08 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2k9q h VAL 9 Cb 0.48 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2k9q h VAL 9 CO 0.03 0.09 0.08 -0.33 0.02 0.00 0.00 177.57 177.45 2k9q h GLU 10 N 0.48 0.51 -0.53 1.57 4.39 -1.31 0.13 114.58 119.81 2k9q h GLU 10 Ca 0.17 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.76 2k9q h GLU 10 Cb 0.04 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2k9q h GLU 10 CO -0.10 0.57 0.34 -0.09 -1.16 0.00 0.00 179.01 178.58 2k9q h ARG 11 N 0.35 0.67 -0.42 2.33 2.43 -1.16 -0.74 114.38 117.85 2k9q h ARG 11 Ca 0.10 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2k9q h ARG 11 Cb 0.29 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2k9q h ARG 11 CO 0.00 0.44 0.02 0.82 -1.51 0.00 0.00 179.97 179.74 2k9q h ILE 12 N 0.69 1.26 -0.57 1.20 2.04 -0.40 0.50 117.51 122.23 2k9q h ILE 12 Ca 0.20 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.10 2k9q h ILE 12 Cb -0.05 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2k9q h ILE 12 CO -0.06 0.34 0.34 -0.09 0.00 0.00 0.00 178.15 178.68 2k9q h ARG 13 N 0.57 0.65 -0.01 2.37 2.43 -0.29 -0.93 114.38 119.17 2k9q h ARG 13 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2k9q h ARG 13 Cb 0.46 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2k9q h ARG 13 CO 0.02 0.43 -0.07 1.28 -1.51 0.00 0.00 179.97 180.11 2k9q n LEU 14 N -4.77 1.31 -3.65 3.80 4.77 -0.32 -4.97 117.00 113.16 2k9q n LEU 14 Ca 0.05 -0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 55.34 2k9q n LEU 14 Cb 0.09 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2k9q n LEU 14 CO 0.32 0.22 -0.23 -1.54 -1.33 0.00 0.00 177.39 174.83 2k9q n SER 15 N -0.11 -5.25 -4.82 -1.43 3.41 0.17 -4.92 113.62 100.68 2k9q n SER 15 Ca 0.17 -0.62 -0.36 0.00 -0.26 0.00 0.00 58.87 57.80 2k9q n SER 15 Cb 0.35 -1.88 -0.07 0.00 -0.26 0.00 0.00 64.21 62.35 2k9q n SER 15 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2k9q s LEU 16 N -4.00 4.33 -0.01 1.04 1.43 -1.06 -5.03 118.68 115.38 2k9q s LEU 16 Ca 0.14 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.50 2k9q s LEU 16 Cb -0.02 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2k9q s LEU 16 CO 0.88 0.30 0.59 0.42 0.23 0.00 0.00 176.35 178.77 2k9q s THR 17 N -0.49 4.93 0.29 5.49 -4.23 -1.26 -4.96 115.64 115.41 2k9q s THR 17 Ca 0.14 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 2k9q s THR 17 Cb -0.12 -3.92 0.15 0.00 1.34 0.00 0.00 72.50 69.94 2k9q s THR 17 CO 0.03 0.41 1.83 0.00 -0.54 0.00 0.00 174.62 176.36 2k9q h ALA 18 N 5.68 1.24 -0.31 3.99 0.00 -1.99 -2.57 119.26 125.29 2k9q h ALA 18 Ca -0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2k9q h ALA 18 Cb 1.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2k9q h ALA 18 CO 0.70 0.52 0.14 -0.22 0.00 0.00 0.00 179.25 180.38 2k9q h LYS 19 N 0.71 0.46 -0.50 0.00 1.63 -1.97 0.20 116.57 117.09 2k9q h LYS 19 Ca 0.15 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2k9q h LYS 19 Cb 0.33 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2k9q h LYS 19 CO 0.01 0.44 0.31 0.77 -3.45 0.00 0.00 179.45 177.53 2k9q h SER 20 N 0.36 0.60 -0.38 4.20 0.02 -1.92 -0.83 113.55 115.60 2k9q h SER 20 Ca 0.11 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2k9q h SER 20 Cb 0.15 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2k9q h SER 20 CO -0.01 0.46 -0.03 0.58 -1.14 0.00 0.00 176.83 176.69 2k9q h VAL 21 N 0.68 1.27 -0.40 2.27 2.07 -1.25 -1.93 116.25 118.95 2k9q h VAL 21 Ca 0.18 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.67 2k9q h VAL 21 Cb -0.03 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2k9q h VAL 21 CO -0.04 0.35 0.22 0.00 0.02 0.00 0.00 177.57 178.13 2k9q h ALA 22 N 0.86 0.50 -0.56 1.67 0.00 -0.25 0.49 119.26 121.97 2k9q h ALA 22 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2k9q h ALA 22 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k9q h ALA 22 CO 0.03 -0.12 0.04 0.93 0.00 0.00 0.00 179.25 180.12 2k9q h GLU 23 N 0.45 0.94 0.04 0.00 4.39 -1.09 0.24 114.58 119.55 2k9q h GLU 23 Ca 0.16 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2k9q h GLU 23 Cb 0.04 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2k9q h GLU 23 CO -0.09 0.90 -0.02 1.49 -1.16 0.00 0.00 179.01 180.13 2k9q h GLU 24 N 0.87 -0.06 -0.65 2.33 4.57 -0.73 -3.25 114.58 117.67 2k9q h GLU 24 Ca 0.17 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2k9q h GLU 24 Cb 0.46 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2k9q h GLU 24 CO 0.02 0.48 0.13 0.52 -1.18 0.00 0.00 179.01 178.98 2k9q h MET 25 N -0.63 1.05 -0.00 1.92 2.86 -0.02 -3.47 114.93 116.64 2k9q h MET 25 Ca -0.01 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2k9q h MET 25 Cb 0.56 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2k9q h MET 25 CO 0.01 0.94 0.00 0.41 1.06 0.00 0.00 176.91 179.33 2k9q n GLY 26 N -0.67 1.82 3.45 8.32 0.00 0.79 -5.07 105.19 113.83 2k9q n GLY 26 Ca 0.05 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2k9q n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k9q s ILE 27 N -2.00 1.43 0.58 -0.61 -4.36 -0.89 -5.04 121.20 110.31 2k9q s ILE 27 Ca 0.00 -2.05 -0.16 0.00 -0.26 0.00 0.00 60.65 58.18 2k9q s ILE 27 Cb 0.00 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 2k9q s ILE 27 CO 0.00 -0.14 1.05 -0.94 0.24 0.00 0.00 174.94 175.15 2k9q s SER 28 N -3.48 5.93 0.21 4.36 1.04 -1.26 -4.52 113.70 115.99 2k9q s SER 28 Ca 0.33 1.78 -0.07 0.00 0.48 0.00 0.00 55.95 58.48 2k9q s SER 28 Cb 0.07 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.82 2k9q s SER 28 CO 0.14 -1.06 1.70 -0.09 0.98 0.00 0.00 173.24 174.90 2k9q h ARG 29 N 0.55 1.00 -0.83 4.02 2.43 -1.94 -2.65 114.38 116.98 2k9q h ARG 29 Ca -0.47 -0.29 0.06 0.00 -0.81 0.00 0.00 59.98 58.48 2k9q h ARG 29 Cb 1.21 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 2k9q h ARG 29 CO 0.58 0.96 0.51 0.37 -1.51 0.00 0.00 179.97 180.88 2k9q h GLN 30 N 0.93 0.89 -0.80 0.20 4.15 -1.99 -0.97 115.11 117.52 2k9q h GLN 30 Ca 0.18 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 2k9q h GLN 30 Cb 0.49 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 2k9q h GLN 30 CO 0.02 0.59 0.34 1.96 -1.93 0.00 0.00 178.83 179.81 2k9q h GLN 31 N 0.92 1.18 -0.70 1.69 1.08 -1.86 -2.39 115.11 115.03 2k9q h GLN 31 Ca 0.36 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2k9q h GLN 31 Cb 0.18 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 2k9q h GLN 31 CO -0.18 0.95 0.36 1.25 -0.95 0.00 0.00 178.83 180.26 2k9q h LEU 32 N 1.15 0.89 -1.31 1.46 5.85 -0.93 -2.09 115.31 120.34 2k9q h LEU 32 Ca 0.27 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2k9q h LEU 32 Cb 0.19 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2k9q h LEU 32 CO -0.03 0.75 0.34 0.00 -0.34 0.00 0.00 178.44 179.17 2k9q h ASN 34 N 0.82 0.77 -0.47 0.00 2.35 -0.91 -1.85 115.58 116.30 2k9q h ASN 34 Ca 0.21 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2k9q h ASN 34 Cb -0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2k9q h ASN 34 CO -0.04 0.78 0.23 0.40 -1.65 0.00 0.00 177.43 177.16 2k9q h ILE 35 N 0.78 1.18 -0.12 2.81 2.04 -0.96 -2.33 117.51 120.92 2k9q h ILE 35 Ca 0.17 -0.50 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 2k9q h ILE 35 Cb 0.34 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2k9q h ILE 35 CO 0.00 0.20 -0.42 1.05 0.00 0.00 0.00 178.15 178.98 2k9q h GLU 36 N 0.62 0.26 -0.95 2.37 4.11 -1.33 -2.18 114.58 117.48 2k9q h GLU 36 Ca 0.16 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 2k9q h GLU 36 Cb 0.10 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k9q h GLU 36 CO -0.02 0.64 0.00 1.04 0.07 0.00 0.00 179.01 180.74 2k9q n GLN 37 N -4.02 1.50 0.00 1.06 6.02 -0.72 -3.84 117.38 117.39 2k9q n GLN 37 Ca -0.02 -0.41 0.09 0.00 -0.01 0.00 0.00 57.00 56.66 2k9q n GLN 37 Cb 0.49 -1.59 0.46 0.00 1.02 0.00 0.00 30.24 30.62 2k9q n GLN 37 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2k9q n SER 38 N 0.09 0.00 0.00 1.08 7.64 -0.82 -4.85 113.62 116.76 2k9q n SER 38 Ca 0.04 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2k9q n SER 38 Cb 0.38 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2k9q n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k9q n GLU 39 N -1.36 0.00 -3.73 1.43 1.02 -1.25 -4.37 120.64 112.38 2k9q n GLU 39 Ca 0.08 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.85 2k9q n GLU 39 Cb 0.18 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.53 2k9q n GLU 39 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2k9q s THR 40 N 0.00 5.37 0.58 2.62 -1.32 -1.26 -4.06 115.64 117.57 2k9q s THR 40 Ca 0.00 0.37 -0.18 0.00 -1.21 0.00 0.00 61.69 60.67 2k9q s THR 40 Cb 0.00 -3.50 -0.04 0.00 -1.51 0.00 0.00 72.50 67.44 2k9q s THR 40 CO 0.00 0.54 1.10 0.00 -2.21 0.00 0.00 174.62 174.05 2k9q s ALA 41 N -0.54 2.66 0.75 11.08 0.00 -1.26 -5.02 121.76 129.44 2k9q s ALA 41 Ca 0.15 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 2k9q s ALA 41 Cb -0.13 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.72 2k9q s ALA 41 CO 0.04 -0.86 1.08 -1.25 0.00 0.00 0.00 175.76 174.77 2k9q s PRO 42 N -3.63 2.43 0.66 0.00 0.04 -1.26 -4.91 135.00 128.33 2k9q s PRO 42 Ca 0.69 1.05 0.43 0.00 0.04 0.00 0.00 61.00 63.21 2k9q s PRO 42 Cb -0.21 -1.92 2.36 0.00 0.04 0.00 0.00 34.50 34.77 2k9q s PRO 42 CO 0.32 -1.49 2.35 -0.39 0.04 0.00 0.00 177.00 177.83 2k9q h VAL 43 N -1.01 0.05 -0.42 -0.36 -1.51 -1.99 -1.63 116.25 109.38 2k9q h VAL 43 Ca -0.44 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.03 2k9q h VAL 43 Cb 1.23 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 31.36 2k9q h VAL 43 CO 0.54 0.00 0.25 0.58 -1.23 0.00 0.00 177.57 177.70 2k9q h VAL 44 N 0.00 1.14 -0.42 7.19 2.07 -1.99 0.33 116.25 124.58 2k9q h VAL 44 Ca 0.00 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2k9q h VAL 44 Cb 0.02 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2k9q h VAL 44 CO -0.00 0.14 0.18 0.58 0.02 0.00 0.00 177.57 178.49 2k9q h VAL 45 N 0.55 1.19 -0.77 2.57 2.07 -1.66 -1.87 116.25 118.34 2k9q h VAL 45 Ca 0.15 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 2k9q h VAL 45 Cb 0.02 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2k9q h VAL 45 CO -0.03 0.22 0.33 0.11 0.02 0.00 0.00 177.57 178.22 2k9q h LYS 46 N 0.53 1.13 -0.89 1.57 1.57 -1.42 -2.22 116.57 116.84 2k9q h LYS 46 Ca 0.14 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2k9q h LYS 46 Cb 0.17 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2k9q h LYS 46 CO -0.01 0.89 0.59 -0.92 -0.57 0.00 0.00 179.45 179.43 2k9q h TYR 47 N 1.11 1.12 -0.60 -1.35 3.20 0.12 -1.99 116.97 118.57 2k9q h TYR 47 Ca 0.26 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 2k9q h TYR 47 Cb 0.17 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 2k9q h TYR 47 CO 0.02 0.70 0.30 0.82 -1.64 0.00 0.00 178.16 178.36 2k9q h ILE 48 N 1.20 1.21 -0.56 1.81 2.04 -0.77 -1.76 117.51 120.67 2k9q h ILE 48 Ca 0.33 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2k9q h ILE 48 Cb -0.14 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2k9q h ILE 48 CO -0.07 0.23 0.37 0.00 0.00 0.00 0.00 178.15 178.69 2k9q h ALA 49 N 1.13 1.77 -0.15 1.87 0.00 -0.89 -0.89 119.26 122.11 2k9q h ALA 49 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k9q h ALA 49 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k9q h ALA 49 CO -0.03 0.16 0.08 0.35 0.00 0.00 0.00 179.25 179.81 2k9q h PHE 50 N 0.60 0.20 -0.67 0.00 3.57 -0.72 0.73 116.94 120.66 2k9q h PHE 50 Ca 0.23 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2k9q h PHE 50 Cb 0.17 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2k9q h PHE 50 CO -0.00 0.20 0.23 -0.07 -2.23 0.00 0.00 178.31 176.44 2k9q h LEU 51 N 0.15 0.95 -0.68 0.59 3.38 -1.10 -1.61 115.31 116.99 2k9q h LEU 51 Ca 0.05 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2k9q h LEU 51 Cb 0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2k9q h LEU 51 CO -0.01 0.89 0.44 -0.09 0.09 0.00 0.00 178.44 179.76 2k9q h ARG 52 N 0.96 0.86 -0.33 1.13 1.12 -0.82 -0.18 114.38 117.11 2k9q h ARG 52 Ca 0.22 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 59.03 2k9q h ARG 52 Cb 0.26 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.01 2k9q h ARG 52 CO -0.01 0.57 0.19 0.77 -3.11 0.00 0.00 179.97 178.38 2k9q h SER 53 N 0.88 0.39 0.00 -3.80 0.02 -0.30 0.17 113.55 110.91 2k9q h SER 53 Ca 0.26 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2k9q h SER 53 Cb -0.06 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2k9q h SER 53 CO -0.07 0.31 0.00 0.29 -1.14 0.00 0.00 176.83 176.22 2k9q n LYS 54 N -4.46 0.72 -1.05 3.45 4.76 -0.15 -4.80 118.16 116.63 2k9q n LYS 54 Ca 0.02 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.44 2k9q n LYS 54 Cb 0.09 -1.30 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 2k9q n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k9q n GLY 55 N 0.36 0.53 3.74 0.72 0.00 0.58 -4.99 105.19 106.13 2k9q n GLY 55 Ca 0.10 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2k9q n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k9q s VAL 56 N -2.03 2.69 -0.75 1.61 1.01 -0.77 -4.83 120.40 117.34 2k9q s VAL 56 Ca 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 2k9q s VAL 56 Cb 0.00 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2k9q s VAL 56 CO 0.00 0.08 1.92 -0.90 0.00 0.00 0.00 175.10 176.21 2k9q n ASP 57 N 2.65 3.42 0.08 3.32 5.75 -1.26 -4.52 116.55 125.99 2k9q n ASP 57 Ca 0.08 -2.44 -0.00 0.00 -0.01 0.00 0.00 54.79 52.42 2k9q n ASP 57 Cb 0.40 -1.03 0.30 0.00 -1.03 0.00 0.00 41.12 39.76 2k9q n ASP 57 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2k9q h LEU 58 N 11.01 0.30 -0.77 -2.12 5.85 -1.93 -2.74 115.31 124.91 2k9q h LEU 58 Ca 0.42 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.11 2k9q h LEU 58 Cb 0.37 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 2k9q h LEU 58 CO 1.64 0.53 0.46 0.78 -0.34 0.00 0.00 178.44 181.51 2k9q h ASN 59 N 0.28 0.72 -0.47 1.25 2.35 -1.99 0.59 115.58 118.31 2k9q h ASN 59 Ca 0.05 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2k9q h ASN 59 Cb 0.54 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2k9q h ASN 59 CO 0.04 0.47 0.14 0.00 -1.65 0.00 0.00 177.43 176.43 2k9q h ALA 60 N 1.37 0.61 -0.32 -0.83 0.00 -1.87 0.49 119.26 118.71 2k9q h ALA 60 Ca 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k9q h ALA 60 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2k9q h ALA 60 CO -0.17 0.27 0.19 1.25 0.00 0.00 0.00 179.25 180.79 2k9q h LEU 61 N 0.62 0.40 -0.37 0.00 5.85 -1.20 -2.81 115.31 117.79 2k9q h LEU 61 Ca 0.15 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 2k9q h LEU 61 Cb 0.27 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2k9q h LEU 61 CO -0.00 0.35 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.78 2k9q h PHE 62 N 0.41 1.13 -0.64 1.25 -1.00 -0.73 -3.03 116.94 114.32 2k9q h PHE 62 Ca 0.12 -0.35 0.13 0.00 2.81 0.00 0.00 57.97 60.68 2k9q h PHE 62 Cb 0.04 -0.23 -0.10 0.00 3.61 0.00 0.00 35.95 39.26 2k9q h PHE 62 CO -0.03 1.18 0.09 0.22 -1.61 0.00 0.00 178.31 178.16 2k9q h ASP 63 N 0.75 -0.10 -0.28 2.17 3.58 0.22 0.24 116.42 123.01 2k9q h ASP 63 Ca 0.05 0.14 -0.13 0.00 0.42 0.00 0.00 57.03 57.52 2k9q h ASP 63 Cb 1.01 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2k9q h ASP 63 CO 0.10 -0.05 -0.28 0.03 -2.88 0.00 0.00 179.24 176.16 2k9q h ARG 64 N 0.21 0.78 -0.49 0.28 2.47 -1.50 -3.03 114.38 113.10 2k9q h ARG 64 Ca 0.35 -0.34 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2k9q h ARG 64 Cb 0.55 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 2k9q h ARG 64 CO -0.48 0.97 0.20 0.82 0.56 0.00 0.00 179.97 182.04 2k9q h ILE 65 N 0.67 1.21 -3.48 2.04 2.04 -0.84 -3.39 117.51 115.76 2k9q h ILE 65 Ca 0.08 -0.64 -0.61 0.00 1.00 0.00 0.00 64.86 64.69 2k9q h ILE 65 Cb 0.80 0.71 -0.11 0.00 -0.74 0.00 0.00 36.82 37.48 2k9q h ILE 65 CO 0.07 0.24 0.26 -0.63 0.00 0.00 0.00 178.15 178.08 2k9q s ILE 66 N -5.57 4.89 -0.16 -0.67 1.01 0.64 -5.04 121.20 116.29 2k9q s ILE 66 Ca -0.13 1.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.53 2k9q s ILE 66 Cb 0.11 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2k9q s ILE 66 CO 0.77 -0.16 -0.06 0.68 0.00 0.00 0.00 174.94 176.17 2k9q s VAL 67 N 2.73 3.64 0.00 2.92 -7.23 -1.26 -4.79 120.40 116.41 2k9q s VAL 67 Ca 0.28 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2k9q s VAL 67 Cb -0.15 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2k9q s VAL 67 CO 0.11 0.49 0.00 0.59 -0.31 0.00 0.00 175.10 175.98 2k9q n ASN 68 N 3.69 0.00 -4.55 4.85 3.02 -1.26 -4.97 115.26 116.04 2k9q n ASN 68 Ca -0.18 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.17 2k9q n ASN 68 Cb 0.52 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 2k9q n ASN 68 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2k9q s LYS 69 N -1.66 3.22 -0.29 3.52 2.47 -1.26 -4.92 119.74 120.82 2k9q s LYS 69 Ca 0.00 -0.21 -0.14 0.00 -1.56 0.00 0.00 55.97 54.06 2k9q s LYS 69 Cb 0.00 -4.16 0.13 0.00 -1.46 0.00 0.00 37.83 32.34 2k9q s LYS 69 CO 0.00 -2.09 0.81 -0.48 0.16 0.00 0.00 175.35 173.75 2k9q s LEU 70 N 5.59 -0.84 0.00 5.43 0.05 -1.26 -5.02 118.68 122.63 2k9q s LEU 70 Ca 0.35 1.22 0.13 0.00 0.05 0.00 0.00 54.13 55.88 2k9q s LEU 70 Cb -0.08 2.05 0.06 0.00 -2.05 0.00 0.00 46.19 46.17 2k9q s LEU 70 CO 0.16 -0.18 0.84 -0.62 -0.55 0.00 0.00 176.35 176.00 2k9q n GLU 71 N 4.75 1.27 0.00 1.48 -0.58 -1.26 -5.04 120.64 121.26 2k9q n GLU 71 Ca -0.14 -1.04 0.00 0.00 -0.42 0.00 0.00 57.16 55.55 2k9q n GLU 71 Cb 0.54 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 2k9q n GLU 71 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2k9q n HIS 72 N 0.36 0.00 -3.19 -0.32 1.44 -1.26 -5.07 115.22 107.18 2k9q n HIS 72 Ca 0.07 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.73 2k9q n HIS 72 Cb 0.30 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.42 2k9q n HIS 72 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k9q n HIS 73 N 0.00 -0.66 -2.55 -1.40 -0.00 -1.26 -4.93 115.22 104.42 2k9q n HIS 73 Ca 0.00 0.28 -0.30 0.00 -0.00 0.00 0.00 57.72 57.70 2k9q n HIS 73 Cb 0.00 -1.34 -0.02 0.00 -0.00 0.00 0.00 29.99 28.63 2k9q n HIS 73 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k9q s HIS 74 N -1.12 3.51 -1.22 1.57 3.76 -1.26 -4.97 115.29 115.56 2k9q s HIS 74 Ca 0.05 1.12 -0.06 0.00 -0.15 0.00 0.00 55.06 56.03 2k9q s HIS 74 Cb -0.01 -2.53 0.20 0.00 1.11 0.00 0.00 32.58 31.36 2k9q s HIS 74 CO 0.17 -0.29 1.98 1.58 -0.85 0.00 0.00 174.74 177.33 2k9q n HIS 75 N -1.80 2.65 -1.92 1.40 -0.00 -1.26 -4.91 115.22 109.38 2k9q n HIS 75 Ca 0.03 -2.72 0.00 0.00 -0.00 0.00 0.00 57.72 55.03 2k9q n HIS 75 Cb 0.54 -1.66 0.00 0.00 -0.00 0.00 0.00 29.99 28.88 2k9q n HIS 75 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k9q n HIS 76 N 1.97 -4.33 -1.77 1.57 -0.00 -1.26 -5.34 115.22 106.06 2k9q n HIS 76 Ca 0.47 2.33 0.00 0.00 -0.00 0.00 0.00 57.72 60.51 2k9q n HIS 76 Cb 0.30 -3.30 0.00 0.00 -0.00 0.00 0.00 29.99 26.98 2k9q n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06