#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 0.78 0.15 0.03 0.41 -1.26 -4.78 118.70 114.03 2k9q s GLU 2 Ca 0.00 -0.47 -0.15 0.00 -0.41 0.00 0.00 54.97 53.94 2k9q s GLU 2 Cb 0.00 -1.90 0.02 0.00 -1.78 0.00 0.00 34.13 30.47 2k9q s GLU 2 CO 0.00 -2.29 1.73 1.25 -0.49 0.00 0.00 175.26 175.45 2k9q h LEU 3 N -1.51 0.59 -0.47 1.80 5.85 -1.99 -1.22 115.31 118.36 2k9q h LEU 3 Ca -0.44 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.01 2k9q h LEU 3 Cb 1.24 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2k9q h LEU 3 CO 0.39 0.56 -0.34 0.77 -0.34 0.00 0.00 178.44 179.48 2k9q h SER 4 N 0.59 0.95 -0.56 1.25 4.64 -1.90 -1.55 113.55 116.97 2k9q h SER 4 Ca 0.15 -0.41 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 2k9q h SER 4 Cb 0.12 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2k9q h SER 4 CO -0.02 1.19 0.16 -1.13 -0.87 0.00 0.00 176.83 176.16 2k9q h ASN 5 N 0.75 0.83 -0.24 4.97 -0.73 -1.88 -1.47 115.58 117.81 2k9q h ASN 5 Ca 0.07 -0.22 -0.14 0.00 1.87 0.00 0.00 56.30 57.88 2k9q h ASN 5 Cb 0.92 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.28 2k9q h ASN 5 CO 0.08 0.83 -0.36 -0.33 -0.37 0.00 0.00 177.43 177.29 2k9q h GLU 6 N 0.79 0.77 -0.73 6.67 5.08 -1.17 -1.86 114.58 124.13 2k9q h GLU 6 Ca 0.18 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2k9q h GLU 6 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2k9q h GLU 6 CO -0.00 1.00 0.37 1.25 -1.00 0.00 0.00 179.01 180.63 2k9q h LEU 7 N 0.64 0.93 -0.34 1.33 5.85 -1.00 -2.68 115.31 120.04 2k9q h LEU 7 Ca 0.06 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 2k9q h LEU 7 Cb 0.90 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2k9q h LEU 7 CO 0.08 0.79 -0.24 0.11 -0.34 0.00 0.00 178.44 178.84 2k9q h LYS 8 N 1.01 0.77 -0.09 1.25 1.57 -1.13 -2.83 116.57 117.12 2k9q h LYS 8 Ca 0.25 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2k9q h LYS 8 Cb 0.09 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2k9q h LYS 8 CO -0.04 1.00 -0.30 0.28 -0.57 0.00 0.00 179.45 179.82 2k9q h VAL 9 N 0.55 0.00 -0.63 0.50 2.07 -1.00 0.91 116.25 118.66 2k9q h VAL 9 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 2k9q h VAL 9 Cb 0.81 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2k9q h VAL 9 CO 0.07 0.00 0.30 1.05 0.02 0.00 0.00 177.57 179.01 2k9q h GLU 10 N -0.31 0.53 -0.71 1.57 4.11 -1.61 0.49 114.58 118.65 2k9q h GLU 10 Ca 0.02 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.43 2k9q h GLU 10 Cb 0.37 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2k9q h GLU 10 CO -0.25 0.35 0.47 -0.09 0.07 0.00 0.00 179.01 179.56 2k9q h ARG 11 N 0.55 0.93 -0.35 1.06 2.43 -1.09 -2.04 114.38 115.86 2k9q h ARG 11 Ca 0.30 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2k9q h ARG 11 Cb 0.28 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2k9q h ARG 11 CO -0.24 0.61 -0.10 0.82 -1.51 0.00 0.00 179.97 179.56 2k9q h ILE 12 N 0.96 1.28 -0.73 1.20 2.04 0.22 -0.09 117.51 122.39 2k9q h ILE 12 Ca 0.27 -1.17 0.09 0.00 1.00 0.00 0.00 64.86 65.05 2k9q h ILE 12 Cb -0.09 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2k9q h ILE 12 CO -0.06 0.38 0.37 0.03 0.00 0.00 0.00 178.15 178.87 2k9q h ARG 13 N 0.47 0.61 -0.01 2.37 3.08 0.37 0.35 114.38 121.63 2k9q h ARG 13 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2k9q h ARG 13 Cb 0.61 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2k9q h ARG 13 CO 0.04 0.41 -0.03 1.28 -1.07 0.00 0.00 179.97 180.59 2k9q n LEU 14 N -4.84 1.10 -3.72 3.04 4.77 -0.81 -4.95 117.00 111.59 2k9q n LEU 14 Ca 0.11 -0.35 -0.27 0.00 -0.03 0.00 0.00 56.01 55.48 2k9q n LEU 14 Cb 0.28 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 2k9q n LEU 14 CO 0.25 0.19 -0.19 -1.20 -1.33 0.00 0.00 177.39 175.11 2k9q n SER 15 N -0.21 -3.71 -4.72 -1.43 7.64 0.12 -4.85 113.62 106.46 2k9q n SER 15 Ca 0.19 -0.90 -0.41 0.00 1.01 0.00 0.00 58.87 58.76 2k9q n SER 15 Cb 0.30 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.17 2k9q n SER 15 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2k9q s LEU 16 N -5.32 4.43 0.36 -3.43 1.43 -1.14 -5.03 118.68 109.99 2k9q s LEU 16 Ca 0.14 1.62 -0.22 0.00 -1.03 0.00 0.00 54.13 54.63 2k9q s LEU 16 Cb -0.08 -3.45 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 2k9q s LEU 16 CO 0.76 -0.11 0.91 0.42 0.23 0.00 0.00 176.35 178.55 2k9q s THR 17 N 0.38 4.36 0.20 5.49 -4.23 -1.26 -4.95 115.64 115.64 2k9q s THR 17 Ca 0.46 1.55 -0.08 0.00 -1.18 0.00 0.00 61.69 62.44 2k9q s THR 17 Cb -0.21 -3.79 0.11 0.00 1.34 0.00 0.00 72.50 69.95 2k9q s THR 17 CO 0.27 -0.08 1.71 0.00 -0.54 0.00 0.00 174.62 175.98 2k9q h ALA 18 N 2.58 0.95 -0.30 3.99 0.00 -1.98 -0.67 119.26 123.82 2k9q h ALA 18 Ca -0.48 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 2k9q h ALA 18 Cb 1.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2k9q h ALA 18 CO 0.63 0.66 0.07 0.87 0.00 0.00 0.00 179.25 181.49 2k9q h LYS 19 N 1.04 0.49 -0.23 0.00 1.57 -1.97 0.45 116.57 117.92 2k9q h LYS 19 Ca 0.21 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2k9q h LYS 19 Cb 0.41 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2k9q h LYS 19 CO 0.01 0.56 0.04 0.66 -0.57 0.00 0.00 179.45 180.15 2k9q h SER 20 N 0.33 0.35 -0.16 0.86 4.64 -1.92 0.30 113.55 117.96 2k9q h SER 20 Ca 0.10 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 2k9q h SER 20 Cb 0.29 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2k9q h SER 20 CO 0.00 0.51 -0.03 0.58 -0.87 0.00 0.00 176.83 177.03 2k9q h VAL 21 N 0.18 1.28 -0.63 0.95 2.07 -1.04 0.12 116.25 119.18 2k9q h VAL 21 Ca 0.07 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 2k9q h VAL 21 Cb 0.30 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2k9q h VAL 21 CO 0.00 0.28 0.11 0.00 0.02 0.00 0.00 177.57 177.98 2k9q h ALA 22 N 0.73 0.84 -0.16 1.67 0.00 -0.07 0.13 119.26 122.40 2k9q h ALA 22 Ca 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2k9q h ALA 22 Cb 0.44 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k9q h ALA 22 CO 0.01 0.59 -0.06 1.49 0.00 0.00 0.00 179.25 181.28 2k9q h GLU 23 N 0.95 0.32 -0.05 0.00 4.81 -0.34 0.52 114.58 120.79 2k9q h GLU 23 Ca 0.19 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2k9q h GLU 23 Cb 0.42 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2k9q h GLU 23 CO 0.01 0.63 -0.01 0.93 -0.73 0.00 0.00 179.01 179.83 2k9q h GLU 24 N -0.00 0.10 -0.42 1.92 4.39 -0.89 -3.14 114.58 116.54 2k9q h GLU 24 Ca 0.04 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2k9q h GLU 24 Cb 0.52 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2k9q h GLU 24 CO 0.02 0.45 -0.22 0.52 -1.16 0.00 0.00 179.01 178.62 2k9q h MET 25 N -0.26 0.85 -0.70 2.33 2.86 -0.79 -3.47 114.93 115.75 2k9q h MET 25 Ca 0.01 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2k9q h MET 25 Cb 0.42 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2k9q h MET 25 CO 0.01 0.99 0.00 0.41 1.06 0.00 0.00 176.91 179.37 2k9q n GLY 26 N -0.19 0.78 3.36 8.32 0.00 0.17 -5.06 105.19 112.57 2k9q n GLY 26 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.30 1.58 0.51 -0.61 -4.36 -0.70 -5.03 121.20 110.29 2k9q s ILE 27 Ca 0.00 -2.15 -0.20 0.00 -0.26 0.00 0.00 60.65 58.04 2k9q s ILE 27 Cb 0.00 -2.20 -0.08 0.00 1.25 0.00 0.00 42.46 41.44 2k9q s ILE 27 CO 0.00 -0.48 1.05 -0.55 0.24 0.00 0.00 174.94 175.20 2k9q s SER 28 N -3.35 6.21 0.31 4.36 0.15 -1.26 -4.66 113.70 115.46 2k9q s SER 28 Ca 0.25 1.93 0.01 0.00 0.70 0.00 0.00 55.95 58.85 2k9q s SER 28 Cb 0.02 -2.56 0.51 0.00 -1.71 0.00 0.00 66.02 62.28 2k9q s SER 28 CO 0.08 -0.87 1.87 0.03 1.20 0.00 0.00 173.24 175.56 2k9q h ARG 29 N 1.37 0.73 -0.91 5.44 -0.00 -1.95 -2.20 114.38 116.86 2k9q h ARG 29 Ca -0.49 -0.13 0.05 0.00 -0.50 0.00 0.00 59.98 58.90 2k9q h ARG 29 Cb 1.22 -0.12 -0.06 0.00 0.00 0.00 0.00 29.97 31.02 2k9q h ARG 29 CO 0.59 0.65 0.58 0.37 0.00 0.00 0.00 179.97 182.15 2k9q h GLN 30 N 0.71 1.06 -0.73 0.04 -0.00 -2.00 -0.73 115.11 113.47 2k9q h GLN 30 Ca 0.16 -0.06 -0.07 0.00 -0.00 0.00 0.00 58.65 58.68 2k9q h GLN 30 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 2k9q h GLN 30 CO -0.01 0.70 0.20 1.96 0.00 0.00 0.00 178.83 181.69 2k9q h GLN 31 N 1.10 1.15 -0.34 1.69 1.08 -1.79 -1.99 115.11 116.01 2k9q h GLN 31 Ca 0.37 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2k9q h GLN 31 Cb 0.07 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2k9q h GLN 31 CO -0.14 1.00 0.16 1.25 -0.95 0.00 0.00 178.83 180.14 2k9q h LEU 32 N 1.10 0.46 -1.13 1.46 5.85 -0.90 -2.10 115.31 120.06 2k9q h LEU 32 Ca 0.23 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2k9q h LEU 32 Cb 0.35 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2k9q h LEU 32 CO -0.00 0.47 0.30 0.00 -0.34 0.00 0.00 178.44 178.87 2k9q h ASN 34 N 0.90 0.76 -0.48 0.00 -1.24 -0.99 -2.43 115.58 112.12 2k9q h ASN 34 Ca 0.22 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 2k9q h ASN 34 Cb 0.11 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 2k9q h ASN 34 CO -0.03 0.71 0.07 0.40 -1.29 0.00 0.00 177.43 177.30 2k9q h ILE 35 N 0.77 1.25 -0.87 2.57 2.04 -0.85 0.14 117.51 122.55 2k9q h ILE 35 Ca 0.19 -0.92 0.09 0.00 1.00 0.00 0.00 64.86 65.22 2k9q h ILE 35 Cb 0.18 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2k9q h ILE 35 CO -0.02 0.33 0.56 -0.08 0.00 0.00 0.00 178.15 178.94 2k9q h GLU 36 N 0.66 0.84 -0.01 2.37 4.81 -0.92 -0.02 114.58 122.32 2k9q h GLU 36 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2k9q h GLU 36 Cb 0.40 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2k9q h GLU 36 CO 0.01 0.56 -0.30 0.00 -0.73 0.00 0.00 179.01 178.55 2k9q n GLN 37 N -4.52 1.22 -2.40 1.92 10.64 -0.94 -4.93 117.38 118.37 2k9q n GLN 37 Ca 0.15 -0.89 -0.36 0.00 -1.83 0.00 0.00 57.00 54.07 2k9q n GLN 37 Cb 0.30 -1.48 -0.02 0.00 -0.86 0.00 0.00 30.24 28.18 2k9q n GLN 37 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2k9q s SER 38 N -2.39 6.29 -0.03 2.61 0.15 0.47 -4.96 113.70 115.84 2k9q s SER 38 Ca 0.24 2.12 0.23 0.00 0.70 0.00 0.00 55.95 59.23 2k9q s SER 38 Cb 0.19 -2.58 0.39 0.00 -1.71 0.00 0.00 66.02 62.31 2k9q s SER 38 CO 0.50 -0.82 1.15 -1.84 1.20 0.00 0.00 173.24 173.43 2k9q n GLU 39 N -0.63 0.19 -3.62 5.44 0.28 -1.26 -4.74 120.64 116.30 2k9q n GLU 39 Ca 0.08 -2.03 -0.27 0.00 -0.16 0.00 0.00 57.16 54.78 2k9q n GLU 39 Cb 0.50 -0.10 -0.17 0.00 1.43 0.00 0.00 31.44 33.11 2k9q n GLU 39 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2k9q s THR 40 N -0.37 0.04 0.55 3.84 -1.32 -1.26 -4.88 115.64 112.23 2k9q s THR 40 Ca 0.29 -0.36 -0.19 0.00 -1.21 0.00 0.00 61.69 60.23 2k9q s THR 40 Cb 0.34 -0.74 -0.06 0.00 -1.51 0.00 0.00 72.50 70.53 2k9q s THR 40 CO -0.14 -0.35 1.10 0.00 -2.21 0.00 0.00 174.62 173.02 2k9q s ALA 41 N 2.07 2.72 0.66 11.08 0.00 -1.26 -5.01 121.76 132.02 2k9q s ALA 41 Ca 0.03 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 2k9q s ALA 41 Cb -0.16 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 2k9q s ALA 41 CO -0.14 -0.71 1.10 -1.25 0.00 0.00 0.00 175.76 174.76 2k9q s PRO 42 N -3.43 2.85 0.63 0.00 0.04 -1.26 -4.91 135.00 128.92 2k9q s PRO 42 Ca 0.70 1.34 0.39 0.00 0.04 0.00 0.00 61.00 63.47 2k9q s PRO 42 Cb -0.21 -1.96 2.11 0.00 0.04 0.00 0.00 34.50 34.48 2k9q s PRO 42 CO 0.28 -1.20 2.28 -0.24 0.04 0.00 0.00 177.00 178.15 2k9q h VAL 43 N 0.02 0.16 -0.61 -0.36 3.04 -2.00 -2.26 116.25 114.23 2k9q h VAL 43 Ca -0.47 -0.11 0.02 0.00 -1.01 0.00 0.00 66.70 65.13 2k9q h VAL 43 Cb 1.24 1.09 -0.04 0.00 -2.01 0.00 0.00 31.29 31.58 2k9q h VAL 43 CO 0.54 0.01 0.38 0.58 -1.01 0.00 0.00 177.57 178.08 2k9q h VAL 44 N 0.00 1.11 -0.44 1.51 2.07 -1.99 0.14 116.25 118.64 2k9q h VAL 44 Ca -0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2k9q h VAL 44 Cb 0.09 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2k9q h VAL 44 CO 0.00 0.14 0.25 0.58 0.02 0.00 0.00 177.57 178.56 2k9q h VAL 45 N 0.77 1.15 -0.77 2.57 2.07 -1.78 0.23 116.25 120.49 2k9q h VAL 45 Ca 0.23 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2k9q h VAL 45 Cb -0.03 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2k9q h VAL 45 CO -0.08 0.16 0.35 0.11 0.02 0.00 0.00 177.57 178.13 2k9q h LYS 46 N 0.58 1.13 -0.44 1.57 1.57 -1.48 0.57 116.57 120.07 2k9q h LYS 46 Ca 0.16 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2k9q h LYS 46 Cb 0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2k9q h LYS 46 CO -0.03 0.89 0.28 -0.92 -0.57 0.00 0.00 179.45 179.11 2k9q h TYR 47 N 1.10 0.56 -0.49 -1.35 5.03 -0.20 -0.73 116.97 120.89 2k9q h TYR 47 Ca 0.26 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.53 2k9q h TYR 47 Cb 0.16 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 2k9q h TYR 47 CO 0.01 0.36 0.10 0.82 -1.32 0.00 0.00 178.16 178.14 2k9q h ILE 48 N 0.59 1.24 -0.87 1.81 2.04 -0.28 -2.64 117.51 119.41 2k9q h ILE 48 Ca 0.16 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.21 2k9q h ILE 48 Cb -0.05 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2k9q h ILE 48 CO -0.03 0.31 0.57 0.00 0.00 0.00 0.00 178.15 179.00 2k9q h ALA 49 N 0.98 1.55 -0.23 1.87 0.00 0.71 0.18 119.26 124.32 2k9q h ALA 49 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k9q h ALA 49 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k9q h ALA 49 CO 0.01 0.31 0.12 0.35 0.00 0.00 0.00 179.25 180.04 2k9q h PHE 50 N 0.97 0.33 -0.62 0.00 3.57 -0.80 0.10 116.94 120.49 2k9q h PHE 50 Ca 0.38 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.78 2k9q h PHE 50 Cb 0.22 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2k9q h PHE 50 CO -0.00 0.30 0.05 -0.07 -2.23 0.00 0.00 178.31 176.36 2k9q h LEU 51 N 0.26 1.03 -1.01 0.59 3.38 -1.03 -2.70 115.31 115.83 2k9q h LEU 51 Ca 0.08 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2k9q h LEU 51 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2k9q h LEU 51 CO -0.01 1.05 0.05 0.03 0.09 0.00 0.00 178.44 179.65 2k9q h ARG 52 N 0.96 0.77 -0.00 1.13 3.08 -0.36 -1.53 114.38 118.43 2k9q h ARG 52 Ca 0.18 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k9q h ARG 52 Cb 0.50 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2k9q h ARG 52 CO 0.02 0.74 0.01 0.66 -1.07 0.00 0.00 179.97 180.34 2k9q h SER 53 N 0.73 0.00 -0.12 7.04 4.64 -0.46 0.50 113.55 125.88 2k9q h SER 53 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2k9q h SER 53 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2k9q h SER 53 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 2k9q n LYS 54 N -3.36 1.68 -1.27 4.77 5.02 -0.60 -4.89 118.16 119.51 2k9q n LYS 54 Ca -0.03 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 2k9q n LYS 54 Cb 0.09 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2k9q n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k9q n GLY 55 N 1.13 0.41 3.72 0.72 0.00 0.18 -5.00 105.19 106.35 2k9q n GLY 55 Ca 0.17 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 3.16 -0.58 1.61 1.01 -1.07 -4.86 120.40 117.68 2k9q s VAL 56 Ca 0.00 0.88 -0.06 0.00 0.00 0.00 0.00 61.98 62.80 2k9q s VAL 56 Cb 0.00 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.66 2k9q s VAL 56 CO 0.00 0.09 2.84 0.47 0.00 0.00 0.00 175.10 178.50 2k9q n ASP 57 N 3.42 5.49 0.17 3.32 8.00 -1.26 -4.33 116.55 131.36 2k9q n ASP 57 Ca 0.10 -2.37 0.05 0.00 0.71 0.00 0.00 54.79 53.28 2k9q n ASP 57 Cb 0.42 -1.24 0.14 0.00 -0.02 0.00 0.00 41.12 40.42 2k9q n ASP 57 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2k9q h LEU 58 N 6.23 0.00 -1.22 0.64 5.85 -1.95 -3.16 115.31 121.71 2k9q h LEU 58 Ca 0.40 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.08 2k9q h LEU 58 Cb 0.79 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2k9q h LEU 58 CO 0.88 0.37 0.13 0.78 -0.34 0.00 0.00 178.44 180.26 2k9q h ASN 59 N 0.00 0.62 -0.36 1.25 2.35 -2.00 -2.04 115.58 115.40 2k9q h ASN 59 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2k9q h ASN 59 Cb 1.19 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.38 2k9q h ASN 59 CO 0.05 0.60 0.23 0.00 -1.65 0.00 0.00 177.43 176.66 2k9q h ALA 60 N 1.49 0.46 -0.66 -0.83 0.00 -1.91 -0.88 119.26 116.93 2k9q h ALA 60 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2k9q h ALA 60 Cb 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2k9q h ALA 60 CO -0.01 -0.08 0.26 -0.07 0.00 0.00 0.00 179.25 179.36 2k9q h LEU 61 N 0.48 0.91 -0.79 0.00 3.38 -1.57 -2.66 115.31 115.07 2k9q h LEU 61 Ca 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k9q h LEU 61 Cb -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2k9q h LEU 61 CO -0.03 0.84 0.48 -0.26 0.09 0.00 0.00 178.44 179.55 2k9q h PHE 62 N 0.93 1.03 -0.58 1.13 -1.00 -0.91 -2.48 116.94 115.05 2k9q h PHE 62 Ca 0.22 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 2k9q h PHE 62 Cb 0.21 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 2k9q h PHE 62 CO 0.01 0.69 0.23 -0.44 -1.61 0.00 0.00 178.31 177.20 2k9q h ASP 63 N 1.07 0.77 -0.24 2.17 3.32 -0.84 -1.99 116.42 120.68 2k9q h ASP 63 Ca 0.28 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2k9q h ASP 63 Cb -0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2k9q h ASP 63 CO -0.05 0.69 0.11 0.03 -1.72 0.00 0.00 179.24 178.30 2k9q h ARG 64 N 0.83 0.40 -0.64 3.56 3.08 -1.16 -2.54 114.38 117.92 2k9q h ARG 64 Ca 0.20 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2k9q h ARG 64 Cb 0.16 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2k9q h ARG 64 CO -0.02 0.34 0.29 0.82 -1.07 0.00 0.00 179.97 180.33 2k9q h ILE 65 N 0.40 1.23 -1.16 2.04 1.08 -1.26 -3.43 117.51 116.40 2k9q h ILE 65 Ca 0.10 -0.66 -0.84 0.00 -0.39 0.00 0.00 64.86 63.07 2k9q h ILE 65 Cb 0.09 0.48 0.01 0.00 -3.07 0.00 0.00 36.82 34.33 2k9q h ILE 65 CO -0.01 0.27 0.74 -0.38 -0.69 0.00 0.00 178.15 178.08 2k9q n ILE 66 N -4.46 0.09 -2.50 -0.67 5.41 -0.96 -4.85 119.36 111.42 2k9q n ILE 66 Ca 0.04 -0.02 -0.41 0.00 1.00 0.00 0.00 62.75 63.36 2k9q n ILE 66 Cb 0.14 -0.70 -0.03 0.00 -0.71 0.00 0.00 39.64 38.34 2k9q n ILE 66 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2k9q s VAL 67 N 3.10 4.04 -0.38 1.39 1.01 -1.26 -5.00 120.40 123.31 2k9q s VAL 67 Ca 1.03 1.60 -0.23 0.00 0.00 0.00 0.00 61.98 64.38 2k9q s VAL 67 Cb -1.37 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 31.00 2k9q s VAL 67 CO 0.77 0.20 0.79 0.20 0.00 0.00 0.00 175.10 177.06 2k9q s ASN 68 N 0.47 6.53 -0.68 3.32 0.01 -1.26 -4.93 114.94 118.40 2k9q s ASN 68 Ca 0.53 0.29 -0.18 0.00 -0.71 0.00 0.00 52.86 52.79 2k9q s ASN 68 Cb -0.28 -2.40 -0.15 0.00 0.41 0.00 0.00 41.25 38.83 2k9q s ASN 68 CO 0.32 -0.77 1.88 1.17 -1.51 0.00 0.00 177.10 178.19 2k9q n LYS 69 N 6.49 1.39 0.00 -0.60 4.81 -1.26 -4.88 118.16 124.11 2k9q n LYS 69 Ca 0.03 -1.59 0.00 0.00 -0.87 0.00 0.00 58.31 55.88 2k9q n LYS 69 Cb 0.48 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.82 2k9q n LYS 69 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k9q n LEU 70 N 6.76 0.00 -4.68 3.14 4.77 -1.26 -4.40 117.00 121.33 2k9q n LEU 70 Ca 0.45 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 56.02 2k9q n LEU 70 Cb 0.32 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 2k9q n LEU 70 CO 0.95 -0.10 0.66 -1.83 -1.33 0.00 0.00 177.39 175.74 2k9q s GLU 71 N 0.00 4.35 0.35 3.23 -1.05 -1.26 -4.72 118.70 119.60 2k9q s GLU 71 Ca 0.00 1.13 0.00 0.00 -0.15 0.00 0.00 54.97 55.95 2k9q s GLU 71 Cb 0.00 -3.55 0.00 0.00 -0.44 0.00 0.00 34.13 30.14 2k9q s GLU 71 CO 0.00 -0.30 0.00 1.58 0.95 0.00 0.00 175.26 177.49 2k9q n HIS 72 N 5.06 -4.14 -0.12 4.83 -0.00 -1.26 -4.92 115.22 114.66 2k9q n HIS 72 Ca 0.06 1.22 -0.08 0.00 0.46 0.00 0.00 57.72 59.37 2k9q n HIS 72 Cb 0.49 3.15 0.07 0.00 -0.12 0.00 0.00 29.99 33.57 2k9q n HIS 72 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k9q h HIS 73 N 0.00 0.98 0.00 1.57 3.86 -1.90 -3.43 115.15 116.23 2k9q h HIS 73 Ca 0.00 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2k9q h HIS 73 Cb 0.00 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.23 2k9q h HIS 73 CO 0.00 0.97 0.00 1.58 0.86 0.00 0.00 177.93 181.34 2k9q n HIS 74 N -4.13 0.00 -0.57 2.45 -0.00 -1.26 -4.50 115.22 107.21 2k9q n HIS 74 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.55 2k9q n HIS 74 Cb 0.42 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.54 2k9q n HIS 74 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k9q n HIS 75 N 0.00 -2.18 -2.97 1.57 8.25 -1.26 -4.41 115.22 114.22 2k9q n HIS 75 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2k9q n HIS 75 Cb 0.00 -1.39 0.00 0.00 1.12 0.00 0.00 29.99 29.72 2k9q n HIS 75 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k9q n HIS 76 N -4.24 0.00 1.85 4.41 -0.00 -1.26 -5.15 115.22 110.83 2k9q n HIS 76 Ca 0.05 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.92 2k9q n HIS 76 Cb 0.35 -0.95 0.82 0.00 -0.00 0.00 0.00 29.99 30.21 2k9q n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06