#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qf9 h ALA 39 N 0.00 1.08 -0.01 0.00 0.00 -2.00 -3.10 119.26 115.24 2qf9 h ALA 39 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qf9 h ALA 39 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qf9 h ALA 39 CO 0.00 0.25 -0.33 -0.25 0.00 0.00 0.00 179.25 178.92 2qf9 n ASP 40 N -3.44 0.86 -4.71 0.00 8.00 -1.26 -4.54 116.55 111.46 2qf9 n ASP 40 Ca -0.00 -0.70 -0.34 0.00 0.71 0.00 0.00 54.79 54.46 2qf9 n ASP 40 Cb 0.38 0.17 0.11 0.00 -0.02 0.00 0.00 41.12 41.76 2qf9 n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2qf9 s SER 41 N -2.65 3.88 0.36 -2.24 1.04 -1.17 -4.81 113.70 108.11 2qf9 s SER 41 Ca 0.20 2.36 0.03 0.00 0.48 0.00 0.00 55.95 59.03 2qf9 s SER 41 Cb 0.19 -2.59 0.68 0.00 0.10 0.00 0.00 66.02 64.40 2qf9 s SER 41 CO 0.57 -2.47 2.01 0.00 0.98 0.00 0.00 173.24 174.34 2qf9 h ALA 42 N -0.62 1.57 0.05 5.32 0.00 -1.87 -0.92 119.26 122.79 2qf9 h ALA 42 Ca -0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qf9 h ALA 42 Cb 1.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qf9 h ALA 42 CO 0.48 0.39 -0.02 -0.44 0.00 0.00 0.00 179.25 179.65 2qf9 h ASP 43 N 0.78 -0.06 -0.34 0.00 3.32 -1.91 0.13 116.42 118.35 2qf9 h ASP 43 Ca 0.21 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2qf9 h ASP 43 Cb -0.07 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2qf9 h ASP 43 CO -0.04 -0.00 0.12 0.00 -1.72 0.00 0.00 179.24 177.59 2qf9 h ALA 44 N 0.85 0.44 -0.01 3.45 0.00 -1.77 -2.13 119.26 120.09 2qf9 h ALA 44 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qf9 h ALA 44 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2qf9 h ALA 44 CO 0.01 0.06 0.01 0.78 0.00 0.00 0.00 179.25 180.11 2qf9 h GLY 45 N 0.39 0.02 0.63 0.00 0.00 -1.04 -0.88 103.07 102.19 2qf9 h GLY 45 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2qf9 h GLY 45 CO -0.01 0.01 0.04 -2.75 0.00 0.00 0.00 176.54 173.84 2qf9 h PHE 46 N -0.00 0.07 -0.71 5.60 3.57 -0.75 -0.20 116.94 124.51 2qf9 h PHE 46 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2qf9 h PHE 46 Cb 0.02 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2qf9 h PHE 46 CO -0.07 0.01 0.46 0.00 -2.23 0.00 0.00 178.31 176.48 2qf9 h ALA 47 N 1.22 0.91 0.38 2.41 0.00 -1.11 -3.00 119.26 120.08 2qf9 h ALA 47 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2qf9 h ALA 47 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qf9 h ALA 47 CO -0.19 0.28 -0.18 0.00 0.00 0.00 0.00 179.25 179.16 2qf9 h ARG 48 N 0.93 -0.50 -1.03 0.00 3.08 -0.90 -2.52 114.38 113.45 2qf9 h ARG 48 Ca 0.27 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2qf9 h ARG 48 Cb -0.06 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2qf9 h ARG 48 CO -0.08 -0.25 0.00 -0.25 -1.07 0.00 0.00 179.97 178.32 2qf9 n ASP 49 N -5.25 1.20 0.00 7.04 8.00 -0.11 -2.50 116.55 124.92 2qf9 n ASP 49 Ca -0.11 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2qf9 n ASP 49 Cb 0.25 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2qf9 n ASP 49 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qf9 n SER 51 N 0.47 0.00 -0.15 -2.24 7.64 -0.95 -1.38 113.62 117.02 2qf9 n SER 51 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2qf9 n SER 51 Cb 0.22 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 2qf9 n SER 51 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2qf9 h VAL 52 N 0.00 1.16 -0.08 0.44 2.07 -1.76 -1.08 116.25 117.00 2qf9 h VAL 52 Ca 0.00 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.12 2qf9 h VAL 52 Cb 0.00 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2qf9 h VAL 52 CO 0.00 0.17 -0.04 -0.74 0.02 0.00 0.00 177.57 176.98 2qf9 h HIS 53 N 0.59 -0.09 -0.61 1.57 2.76 -1.52 -2.54 115.15 115.31 2qf9 h HIS 53 Ca 0.16 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.40 2qf9 h HIS 53 Cb 0.06 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 2qf9 h HIS 53 CO -0.02 -0.06 0.31 0.45 -1.30 0.00 0.00 177.93 177.31 2qf9 h HIS 54 N -0.03 0.56 -0.96 5.26 3.86 -1.80 -2.62 115.15 119.42 2qf9 h HIS 54 Ca 0.05 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.40 2qf9 h HIS 54 Cb 0.10 -0.16 -0.08 0.00 1.06 0.00 0.00 27.41 28.32 2qf9 h HIS 54 CO -0.15 0.24 0.59 0.37 0.86 0.00 0.00 177.93 179.84 2qf9 h GLN 55 N 0.57 0.89 -0.49 2.45 5.75 -0.78 -1.13 115.11 122.36 2qf9 h GLN 55 Ca 0.28 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.62 2qf9 h GLN 55 Cb 0.23 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2qf9 h GLN 55 CO -0.21 0.59 -0.14 0.37 -2.65 0.00 0.00 178.83 176.79 2qf9 h GLN 56 N 0.92 0.94 -0.77 1.69 4.15 -1.21 -1.55 115.11 119.29 2qf9 h GLN 56 Ca 0.48 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2qf9 h GLN 56 Cb 0.49 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2qf9 h GLN 56 CO -0.27 1.01 0.42 0.00 -1.93 0.00 0.00 178.83 178.06 2qf9 h ALA 57 N 1.00 0.98 -0.18 3.38 0.00 -1.05 -2.50 119.26 120.89 2qf9 h ALA 57 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qf9 h ALA 57 Cb 0.69 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2qf9 h ALA 57 CO 0.05 0.50 0.12 0.28 0.00 0.00 0.00 179.25 180.20 2qf9 h VAL 58 N 1.06 1.04 0.00 0.00 2.07 -1.08 -1.53 116.25 117.81 2qf9 h VAL 58 Ca 0.27 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2qf9 h VAL 58 Cb 0.04 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2qf9 h VAL 58 CO -0.04 0.04 0.00 1.21 0.02 0.00 0.00 177.57 178.80 2qf9 n GLU 59 N -4.97 0.00 0.00 1.57 4.07 -0.60 -1.62 120.64 119.09 2qf9 n GLU 59 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2qf9 n GLU 59 Cb 0.03 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 2qf9 n GLU 59 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2qf9 n SER 61 N 0.83 0.00 -0.23 4.31 7.64 -0.58 -1.17 113.62 124.42 2qf9 n SER 61 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2qf9 n SER 61 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2qf9 n SER 61 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2qf9 h TYR 62 N 0.00 0.79 0.30 1.43 -1.99 -1.58 -2.28 116.97 113.63 2qf9 h TYR 62 Ca 0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2qf9 h TYR 62 Cb 0.00 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.47 2qf9 h TYR 62 CO 0.00 0.47 -0.14 0.82 -0.00 0.00 0.00 178.16 179.31 2qf9 h ILE 63 N 0.84 0.73 -0.49 -2.88 2.04 -1.42 -2.87 117.51 113.45 2qf9 h ILE 63 Ca 0.25 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2qf9 h ILE 63 Cb -0.04 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2qf9 h ILE 63 CO -0.08 0.03 0.24 1.62 0.00 0.00 0.00 178.15 179.96 2qf9 h VAL 64 N -0.48 1.17 0.00 1.67 3.04 -1.82 -1.08 116.25 118.75 2qf9 h VAL 64 Ca -0.04 -0.46 -0.03 0.00 -1.01 0.00 0.00 66.70 65.15 2qf9 h VAL 64 Cb 0.36 0.53 -0.00 0.00 -2.01 0.00 0.00 31.29 30.17 2qf9 h VAL 64 CO 0.07 0.19 -0.15 0.03 -1.01 0.00 0.00 177.57 176.70 2qf9 h ARG 65 N 0.69 0.00 0.00 4.17 3.08 -1.29 -1.04 114.38 120.00 2qf9 h ARG 65 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2qf9 h ARG 65 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2qf9 h ARG 65 CO -0.02 0.15 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.55 2qf9 h ASP 66 N 0.00 0.00 0.00 7.04 3.32 -0.98 -3.38 116.42 122.42 2qf9 h ASP 66 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2qf9 h ASP 66 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2qf9 h ASP 66 CO 0.02 0.00 -1.15 0.54 -1.72 0.00 0.00 179.24 176.93 2qf9 n ARG 67 N -2.67 1.31 -4.07 3.56 5.12 -0.42 -4.99 116.66 114.50 2qf9 n ARG 67 Ca 0.05 -0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 55.82 2qf9 n ARG 67 Cb 0.48 -1.29 -0.10 0.00 -1.16 0.00 0.00 32.46 30.39 2qf9 n ARG 67 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2qf9 s THR 68 N -2.73 0.30 -2.75 0.55 -1.32 -1.04 -1.23 115.64 107.43 2qf9 s THR 68 Ca 0.01 -1.49 0.22 0.00 -1.21 0.00 0.00 61.69 59.23 2qf9 s THR 68 Cb 0.11 -1.08 0.21 0.00 -1.51 0.00 0.00 72.50 70.24 2qf9 s THR 68 CO 0.64 -0.76 1.24 0.47 -2.21 0.00 0.00 174.62 174.00 2qf9 n ASP 69 N 0.67 2.96 -4.63 8.08 8.00 -1.26 -4.81 116.55 125.56 2qf9 n ASP 69 Ca -0.18 -1.94 -0.43 0.00 0.71 0.00 0.00 54.79 52.95 2qf9 n ASP 69 Cb 0.58 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 2qf9 n ASP 69 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qf9 s ASP 70 N -1.81 5.93 0.25 -2.24 2.15 -1.26 -4.88 116.67 114.80 2qf9 s ASP 70 Ca 0.28 2.27 -0.05 0.00 0.43 0.00 0.00 52.55 55.48 2qf9 s ASP 70 Cb 0.19 -2.52 0.36 0.00 -0.30 0.00 0.00 42.92 40.65 2qf9 s ASP 70 CO 0.29 -1.53 1.84 -0.33 -0.17 0.00 0.00 175.17 175.27 2qf9 h GLU 71 N 12.92 0.92 -0.17 4.34 5.08 -1.99 -1.70 114.58 133.98 2qf9 h GLU 71 Ca -0.45 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 2qf9 h GLU 71 Cb 1.24 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2qf9 h GLU 71 CO 0.95 0.61 -0.13 1.49 -1.00 0.00 0.00 179.01 180.94 2qf9 h GLU 72 N 0.95 0.39 -0.41 2.33 4.57 -2.00 -0.37 114.58 120.04 2qf9 h GLU 72 Ca 0.39 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 58.25 2qf9 h GLU 72 Cb 0.23 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2qf9 h GLU 72 CO -0.19 0.73 -0.27 0.28 -1.18 0.00 0.00 179.01 178.37 2qf9 h VAL 73 N 0.05 1.27 -0.63 0.32 2.07 -1.95 -1.71 116.25 115.66 2qf9 h VAL 73 Ca 0.03 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2qf9 h VAL 73 Cb 0.64 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2qf9 h VAL 73 CO 0.03 0.48 0.40 0.03 0.02 0.00 0.00 177.57 178.53 2qf9 h ARG 74 N 0.74 0.84 -0.11 1.57 3.08 -1.20 -0.40 114.38 118.91 2qf9 h ARG 74 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2qf9 h ARG 74 Cb 0.83 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 2qf9 h ARG 74 CO 0.07 0.58 0.04 -0.09 -1.07 0.00 0.00 179.97 179.50 2qf9 h ARG 75 N 0.86 0.16 -0.33 0.04 1.12 -0.68 -0.72 114.38 114.83 2qf9 h ARG 75 Ca 0.23 -0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.12 2qf9 h ARG 75 Cb -0.06 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 29.83 2qf9 h ARG 75 CO -0.05 0.27 0.06 1.25 -3.11 0.00 0.00 179.97 178.39 2qf9 h LEU 76 N 0.01 -0.00 -0.86 3.80 5.85 -1.00 -0.93 115.31 122.19 2qf9 h LEU 76 Ca 0.04 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2qf9 h LEU 76 Cb 0.17 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2qf9 h LEU 76 CO -0.00 0.04 0.54 0.00 -0.34 0.00 0.00 178.44 178.67 2qf9 h ALA 77 N 1.25 1.10 -0.07 1.25 0.00 -0.94 -0.74 119.26 121.11 2qf9 h ALA 77 Ca 0.16 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qf9 h ALA 77 Cb 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qf9 h ALA 77 CO -0.21 0.54 -0.06 -0.92 0.00 0.00 0.00 179.25 178.60 2qf9 h TYR 78 N 1.18 -0.15 -0.19 0.00 3.20 -0.69 -0.26 116.97 120.08 2qf9 h TYR 78 Ca 0.31 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.22 2qf9 h TYR 78 Cb -0.08 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2qf9 h TYR 78 CO -0.00 -0.10 0.04 -0.44 -1.64 0.00 0.00 178.16 176.02 2qf9 h ASP 79 N -0.07 0.01 -0.31 -2.11 3.32 -0.70 0.57 116.42 117.13 2qf9 h ASP 79 Ca 0.05 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2qf9 h ASP 79 Cb 0.15 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2qf9 h ASP 79 CO -0.12 0.04 0.13 0.40 -1.72 0.00 0.00 179.24 177.97 2qf9 h ILE 80 N 0.11 1.18 -0.48 0.35 2.04 -1.01 -0.50 117.51 119.20 2qf9 h ILE 80 Ca 0.08 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.42 2qf9 h ILE 80 Cb 0.08 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2qf9 h ILE 80 CO -0.11 0.19 0.28 0.00 0.00 0.00 0.00 178.15 178.51 2qf9 h ALA 81 N 0.97 0.61 -0.12 1.87 0.00 -0.79 0.50 119.26 122.30 2qf9 h ALA 81 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qf9 h ALA 81 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qf9 h ALA 81 CO -0.01 -0.03 0.04 1.96 0.00 0.00 0.00 179.25 181.20 2qf9 h GLN 82 N 0.56 0.18 0.15 0.00 1.08 -0.66 0.13 115.11 116.55 2qf9 h GLN 82 Ca 0.20 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2qf9 h GLN 82 Cb 0.04 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2qf9 h GLN 82 CO -0.10 0.33 -0.07 1.15 -0.95 0.00 0.00 178.83 179.18 2qf9 h THR 83 N 0.01 0.93 -0.24 -0.54 2.02 -0.95 -1.85 112.91 112.28 2qf9 h THR 83 Ca 0.04 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.73 2qf9 h THR 83 Cb 0.22 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2qf9 h THR 83 CO -0.00 0.09 -0.38 1.56 0.37 0.00 0.00 175.52 177.16 2qf9 h GLN 84 N -0.38 0.55 -0.66 6.66 4.20 -0.89 -0.17 115.11 124.42 2qf9 h GLN 84 Ca -0.02 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 2qf9 h GLN 84 Cb 0.30 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2qf9 h GLN 84 CO 0.03 0.84 0.40 0.00 -0.67 0.00 0.00 178.83 179.44 2qf9 h ALA 85 N 1.13 0.84 -0.33 3.87 0.00 -0.96 0.06 119.26 123.88 2qf9 h ALA 85 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2qf9 h ALA 85 Cb 0.87 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2qf9 h ALA 85 CO 0.07 0.31 0.07 -0.97 0.00 0.00 0.00 179.25 178.74 2qf9 h ASN 86 N 0.90 0.50 -0.49 0.00 -1.24 -0.99 -1.51 115.58 112.75 2qf9 h ASN 86 Ca 0.24 -0.24 -0.11 0.00 0.71 0.00 0.00 56.30 56.89 2qf9 h ASN 86 Cb -0.04 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 2qf9 h ASN 86 CO -0.05 0.62 -0.13 1.56 -1.29 0.00 0.00 177.43 178.14 2qf9 h GLN 87 N 0.37 0.96 -0.55 6.67 4.20 -0.87 -2.50 115.11 123.39 2qf9 h GLN 87 Ca 0.10 -0.37 0.05 0.00 0.06 0.00 0.00 58.65 58.49 2qf9 h GLN 87 Cb 0.32 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 2qf9 h GLN 87 CO 0.00 1.04 0.28 -0.09 -0.67 0.00 0.00 178.83 179.39 2qf9 h ARG 88 N 0.82 0.52 -5.03 1.46 2.43 -0.93 -3.42 114.38 110.22 2qf9 h ARG 88 Ca 0.12 -0.03 -0.36 0.00 -0.81 0.00 0.00 59.98 58.90 2qf9 h ARG 88 Cb 0.69 -0.12 0.09 0.00 -0.42 0.00 0.00 29.97 30.22 2qf9 h ARG 88 CO 0.05 0.34 0.86 0.41 -1.51 0.00 0.00 179.97 180.12 2qf9 n GLY 89 N -1.26 0.14 4.60 2.80 0.00 -0.58 -4.53 105.19 106.37 2qf9 n GLY 89 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2qf9 n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qf9 n ILE 92 N 7.73 0.00 -0.32 -0.61 5.41 -1.26 -4.55 119.36 125.76 2qf9 n ILE 92 Ca 0.44 0.00 0.01 0.00 1.00 0.00 0.00 62.75 64.20 2qf9 n ILE 92 Cb 0.44 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.52 2qf9 n ILE 92 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2qf9 h GLY 93 N 0.00 1.33 0.95 7.39 0.00 -1.95 -0.01 103.07 110.77 2qf9 h GLY 93 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2qf9 h GLY 93 CO 0.00 0.26 0.03 1.49 0.00 0.00 0.00 176.54 178.32 2qf9 h TRP 94 N 0.98 0.06 -0.57 5.60 6.55 -1.95 0.10 115.95 126.73 2qf9 h TRP 94 Ca 0.39 -0.00 0.07 0.00 0.95 0.00 0.00 58.89 60.29 2qf9 h TRP 94 Cb 0.19 -0.02 -0.06 0.00 -0.86 0.00 0.00 29.16 28.41 2qf9 h TRP 94 CO -0.03 0.09 0.26 -0.07 -1.05 0.00 0.00 178.44 177.63 2qf9 h LEU 95 N 0.01 0.33 -0.25 -4.49 3.38 -1.79 0.79 115.31 113.30 2qf9 h LEU 95 Ca 0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2qf9 h LEU 95 Cb 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qf9 h LEU 95 CO -0.00 0.22 0.11 0.44 0.09 0.00 0.00 178.44 179.29 2qf9 h ASP 96 N 0.48 0.34 -0.74 -0.43 3.32 -0.83 -0.01 116.42 118.55 2qf9 h ASP 96 Ca 0.27 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2qf9 h ASP 96 Cb 0.24 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2qf9 h ASP 96 CO -0.22 0.40 0.35 0.25 -1.72 0.00 0.00 179.24 178.30 2qf9 h LEU 97 N 0.26 0.99 0.00 1.55 5.85 -0.56 -1.82 115.31 121.57 2qf9 h LEU 97 Ca 0.08 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2qf9 h LEU 97 Cb 0.16 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2qf9 h LEU 97 CO -0.01 0.84 0.00 0.79 -0.34 0.00 0.00 178.44 179.73 2qf9 n TRP 98 N -4.31 0.00 -3.58 1.25 8.01 0.24 -4.91 117.44 114.13 2qf9 n TRP 98 Ca 0.07 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 56.01 2qf9 n TRP 98 Cb 0.15 -0.14 0.06 0.00 -2.01 0.00 0.00 31.31 29.37 2qf9 n TRP 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2qf9 n ALA 99 N -1.14 -1.24 -2.69 6.99 0.00 -0.31 -5.01 120.51 117.12 2qf9 n ALA 99 Ca 0.16 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 2qf9 n ALA 99 Cb 0.14 -4.92 -0.09 0.00 0.00 0.00 0.00 19.45 14.59 2qf9 n ALA 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qf9 s LEU 100 N -7.18 3.55 0.57 0.00 1.43 -0.17 -5.03 118.68 111.84 2qf9 s LEU 100 Ca 0.56 0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 53.50 2qf9 s LEU 100 Cb -0.26 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2qf9 s LEU 100 CO 0.69 0.31 1.30 -2.84 0.23 0.00 0.00 176.35 176.04 2qf9 s PRO 101 N -1.32 3.05 0.12 1.29 0.02 -1.26 -4.44 135.00 132.46 2qf9 s PRO 101 Ca 0.17 2.09 0.27 0.00 0.02 0.00 0.00 61.00 63.55 2qf9 s PRO 101 Cb -0.11 -2.13 0.99 0.00 0.02 0.00 0.00 34.50 33.26 2qf9 s PRO 101 CO 0.08 -1.21 1.84 1.63 -0.33 0.00 0.00 177.00 179.00 2qf9 n LYS 102 N -1.25 0.16 -5.17 5.54 5.02 -1.26 -4.78 118.16 116.42 2qf9 n LYS 102 Ca 0.12 0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 56.23 2qf9 n LYS 102 Cb 0.47 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.64 2qf9 n LYS 102 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qf9 s VAL 103 N -3.06 2.15 0.00 -0.18 1.01 -1.26 -4.80 120.40 114.26 2qf9 s VAL 103 Ca 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2qf9 s VAL 103 Cb 0.15 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2qf9 s VAL 103 CO 0.57 0.52 0.00 -0.24 0.00 0.00 0.00 175.10 175.95 2qf9 n SER 104 N 2.23 0.00 -0.81 3.32 2.88 -1.26 -5.19 113.62 114.79 2qf9 n SER 104 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2qf9 n SER 104 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2qf9 n SER 104 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qf9 n ASP 106 N 0.00 0.00 -4.52 -3.46 8.00 -1.26 -5.05 116.55 110.27 2qf9 n ASP 106 Ca 0.00 0.20 -0.36 0.00 0.71 0.00 0.00 54.79 55.34 2qf9 n ASP 106 Cb 0.00 -1.07 0.08 0.00 -0.02 0.00 0.00 41.12 40.11 2qf9 n ASP 106 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2qf9 n PRO 107 N -0.42 0.30 -1.58 -0.24 -0.02 -1.26 -4.99 135.00 126.80 2qf9 n PRO 107 Ca 0.00 0.15 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 2qf9 n PRO 107 Cb 0.00 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 2qf9 n PRO 107 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qf9 n PRO 108 N -1.28 0.11 0.00 0.52 -0.02 -1.26 -4.81 135.00 128.26 2qf9 n PRO 108 Ca 0.11 -1.66 0.00 0.00 -2.02 0.00 0.00 63.50 59.92 2qf9 n PRO 108 Cb 0.50 -3.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.03 2qf9 n PRO 108 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2qf9 n THR 110 N 9.12 0.00 0.01 3.45 -1.04 -1.26 -5.12 114.28 119.44 2qf9 n THR 110 Ca 0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 2qf9 n THR 110 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 2qf9 n THR 110 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 2qf9 n TRP 111 N 0.00 0.00 0.00 -1.42 4.27 -1.26 -5.16 117.44 113.87 2qf9 n TRP 111 Ca 0.00 -0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2qf9 n TRP 111 Cb 0.00 -0.10 0.00 0.00 -1.36 0.00 0.00 31.31 29.85 2qf9 n TRP 111 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2qf9 n GLY 113 N 0.98 0.00 0.00 -1.67 0.00 -1.26 -4.81 105.19 98.43 2qf9 n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qf9 n GLY 113 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qf9 n PRO 127 N 0.00 0.00 -1.48 1.61 -0.02 -1.26 -5.26 135.00 128.59 2qf9 n PRO 127 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2qf9 n PRO 127 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2qf9 n PRO 127 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qf9 n GLY 128 N 0.00 -1.50 3.13 -1.23 0.00 -1.26 -4.19 105.19 100.14 2qf9 n GLY 128 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 2qf9 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf9 s ALA 130 N -0.60 0.97 0.69 4.61 0.00 -1.26 -3.30 121.76 122.87 2qf9 s ALA 130 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 2qf9 s ALA 130 Cb 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.09 2qf9 s ALA 130 CO 0.00 0.11 1.04 0.95 0.00 0.00 0.00 175.76 177.86 2qf9 s THR 131 N -1.22 3.02 0.24 0.00 -4.23 -1.26 -4.96 115.64 107.22 2qf9 s THR 131 Ca -0.04 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 2qf9 s THR 131 Cb -0.10 -3.29 0.20 0.00 1.34 0.00 0.00 72.50 70.66 2qf9 s THR 131 CO 0.02 -0.34 1.86 -0.78 -0.54 0.00 0.00 174.62 174.83 2qf9 h ASP 132 N -0.58 0.84 -0.93 3.99 3.58 -2.06 -2.37 116.42 118.89 2qf9 h ASP 132 Ca -0.45 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.04 2qf9 h ASP 132 Cb 1.28 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 42.11 2qf9 h ASP 132 CO 0.63 0.55 0.60 0.00 -2.88 0.00 0.00 179.24 178.14 2qf9 h ALA 133 N 1.38 1.22 0.00 -0.78 0.00 -2.05 -0.83 119.26 118.20 2qf9 h ALA 133 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qf9 h ALA 133 Cb 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2qf9 h ALA 133 CO -0.15 0.48 0.00 0.39 0.00 0.00 0.00 179.25 179.96 2qf9 n GLU 134 N -4.50 0.35 0.00 0.00 1.02 -0.89 -0.56 120.64 116.06 2qf9 n GLU 134 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2qf9 n GLU 134 Cb 0.09 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2qf9 n GLU 134 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qf9 n LYS 136 N 0.68 0.00 -0.06 3.49 5.02 -0.32 -1.26 118.16 125.71 2qf9 n LYS 136 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2qf9 n LYS 136 Cb 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.15 2qf9 n LYS 136 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qf9 h LYS 137 N 0.00 -0.15 -0.79 1.97 3.64 -1.09 -1.79 116.57 118.35 2qf9 h LYS 137 Ca 0.00 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 2qf9 h LYS 137 Cb 0.00 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.76 2qf9 h LYS 137 CO 0.00 -0.10 0.37 1.25 -2.27 0.00 0.00 179.45 178.70 2qf9 h LEU 138 N -0.16 0.41 -0.08 5.20 5.85 -1.45 -0.73 115.31 124.36 2qf9 h LEU 138 Ca 0.15 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2qf9 h LEU 138 Cb 0.38 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2qf9 h LEU 138 CO -0.37 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.52 2qf9 n GLY 139 N -1.32 -0.88 0.03 3.75 0.00 -0.70 -2.06 105.19 104.01 2qf9 n GLY 139 Ca 0.15 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2qf9 n GLY 139 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qf9 n THR 140 N -1.57 0.17 -2.80 2.61 -2.24 -0.28 -4.99 114.28 105.18 2qf9 n THR 140 Ca 0.02 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 2qf9 n THR 140 Cb 0.12 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 2qf9 n THR 140 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qf9 s LEU 141 N -4.04 3.75 0.13 3.22 1.43 -0.88 -5.08 118.68 117.20 2qf9 s LEU 141 Ca 0.02 0.96 0.08 0.00 -1.03 0.00 0.00 54.13 54.16 2qf9 s LEU 141 Cb 0.14 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2qf9 s LEU 141 CO 0.82 -0.48 -0.18 -1.81 0.23 0.00 0.00 176.35 174.93 2qf9 s ASP 142 N -3.71 2.44 0.64 2.29 1.01 -1.26 -4.67 116.67 113.41 2qf9 s ASP 142 Ca 0.48 -0.78 0.00 0.00 0.71 0.00 0.00 52.55 52.96 2qf9 s ASP 142 Cb -0.10 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.70 2qf9 s ASP 142 CO 0.39 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.35 2qf9 n GLY 143 N 0.66 2.88 0.35 0.21 0.00 -0.36 -2.20 105.19 106.72 2qf9 n GLY 143 Ca -0.16 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2qf9 n GLY 143 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qf9 h LYS 144 N 0.00 1.20 -0.55 1.61 3.64 -1.99 0.30 116.57 120.79 2qf9 h LYS 144 Ca 0.00 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2qf9 h LYS 144 Cb 0.00 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 2qf9 h LYS 144 CO 0.00 0.80 0.23 1.96 -2.27 0.00 0.00 179.45 180.16 2qf9 h GLN 145 N 1.24 0.81 -0.51 1.90 4.20 -1.86 0.36 115.11 121.26 2qf9 h GLN 145 Ca 0.34 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 2qf9 h GLN 145 Cb -0.14 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 2qf9 h GLN 145 CO -0.07 0.70 0.31 0.00 -0.67 0.00 0.00 178.83 179.09 2qf9 h ALA 146 N 1.07 0.65 0.04 3.87 0.00 -0.95 -1.19 119.26 122.75 2qf9 h ALA 146 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2qf9 h ALA 146 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2qf9 h ALA 146 CO -0.02 0.13 -0.16 0.93 0.00 0.00 0.00 179.25 180.13 2qf9 h GLU 147 N 0.68 -0.28 -0.34 0.00 5.08 -0.43 -0.25 114.58 119.04 2qf9 h GLU 147 Ca 0.18 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2qf9 h GLU 147 Cb -0.02 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2qf9 h GLU 147 CO -0.03 -0.18 0.21 0.28 -1.00 0.00 0.00 179.01 178.29 2qf9 h VAL 148 N -0.29 1.06 -0.52 3.13 2.07 -0.81 -0.56 116.25 120.34 2qf9 h VAL 148 Ca 0.04 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 2qf9 h VAL 148 Cb 0.33 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2qf9 h VAL 148 CO -0.12 0.08 -0.13 0.22 0.02 0.00 0.00 177.57 177.63 2qf9 h TYR 149 N 0.44 1.13 -0.27 1.57 3.20 -1.08 -0.03 116.97 121.93 2qf9 h TYR 149 Ca 0.13 -0.25 0.04 0.00 3.14 0.00 0.00 58.73 61.79 2qf9 h TYR 149 Cb -0.02 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 37.93 2qf9 h TYR 149 CO -0.06 1.06 0.04 -0.92 -1.64 0.00 0.00 178.16 176.64 2qf9 h TYR 150 N 0.87 0.06 -0.69 -3.82 3.20 -0.88 0.70 116.97 116.42 2qf9 h TYR 150 Ca 0.13 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 2qf9 h TYR 150 Cb 0.70 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2qf9 h TYR 150 CO 0.05 0.01 0.31 -0.07 -1.64 0.00 0.00 178.16 176.82 2qf9 h LEU 151 N 0.13 0.89 -0.15 2.82 3.38 -0.64 -2.98 115.31 118.77 2qf9 h LEU 151 Ca 0.12 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2qf9 h LEU 151 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2qf9 h LEU 151 CO -0.17 0.77 -0.16 1.56 0.09 0.00 0.00 178.44 180.53 2qf9 h GLN 152 N 0.98 0.36 -0.64 1.13 4.20 -0.64 -1.58 115.11 118.92 2qf9 h GLN 152 Ca 0.24 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2qf9 h GLN 152 Cb 0.13 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2qf9 h GLN 152 CO -0.03 0.75 0.00 1.28 -0.67 0.00 0.00 178.83 180.17 2qf9 n LEU 153 N -4.54 0.19 0.00 1.46 4.77 0.21 -2.32 117.00 116.76 2qf9 n LEU 153 Ca -0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2qf9 n LEU 153 Cb 0.37 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2qf9 n LEU 153 CO 0.39 0.04 0.00 0.41 -1.33 0.00 0.00 177.39 176.90 2qf9 n THR 155 N 0.59 0.00 -0.23 -5.08 -1.04 -0.60 -0.81 114.28 107.11 2qf9 n THR 155 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2qf9 n THR 155 Cb 0.04 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.60 2qf9 n THR 155 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2qf9 h GLU 156 N 0.00 0.86 -0.05 -2.82 4.39 -1.73 -0.79 114.58 114.44 2qf9 h GLU 156 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2qf9 h GLU 156 Cb 0.00 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2qf9 h GLU 156 CO 0.00 0.57 0.02 1.25 -1.16 0.00 0.00 179.01 179.68 2qf9 h HIS 157 N 0.88 0.03 -0.79 4.33 2.76 -0.96 -1.80 115.15 119.61 2qf9 h HIS 157 Ca 0.24 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2qf9 h HIS 157 Cb -0.10 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 2qf9 h HIS 157 CO -0.03 0.02 0.45 0.45 -1.30 0.00 0.00 177.93 177.52 2qf9 h HIS 158 N 0.04 1.07 -0.66 5.26 3.86 -1.79 -0.50 115.15 122.43 2qf9 h HIS 158 Ca 0.02 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 2qf9 h HIS 158 Cb 0.01 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 28.08 2qf9 h HIS 158 CO -0.09 0.73 0.37 0.00 0.86 0.00 0.00 177.93 179.80 2qf9 h ARG 159 N 1.09 0.67 -0.41 2.45 3.08 -0.85 0.18 114.38 120.58 2qf9 h ARG 159 Ca 0.28 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 2qf9 h ARG 159 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2qf9 h ARG 159 CO -0.05 0.44 0.08 0.78 -1.07 0.00 0.00 179.97 180.15 2qf9 h GLY 160 N 0.69 0.72 1.07 0.04 0.00 -1.02 -2.40 103.07 102.17 2qf9 h GLY 160 Ca 0.29 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2qf9 h GLY 160 CO -0.17 0.44 0.44 -1.33 0.00 0.00 0.00 176.54 175.91 2qf9 h GLY 161 N 0.53 1.30 0.99 4.60 0.00 -0.52 -2.58 103.07 107.39 2qf9 h GLY 161 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2qf9 h GLY 161 CO 0.01 0.59 0.11 -2.08 0.00 0.00 0.00 176.54 175.17 2qf9 h VAL 162 N 1.21 1.05 0.00 4.60 2.07 -0.52 0.69 116.25 125.36 2qf9 h VAL 162 Ca 0.30 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2qf9 h VAL 162 Cb 0.08 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2qf9 h VAL 162 CO -0.04 0.05 0.00 1.57 0.02 0.00 0.00 177.57 179.17 2qf9 n HIS 163 N -4.96 0.00 0.00 1.57 -0.00 -0.92 -0.61 115.22 110.30 2qf9 n HIS 163 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 2qf9 n HIS 163 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 2qf9 n HIS 163 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qf9 n ALA 165 N 0.18 0.00 -0.29 1.57 0.00 0.24 -2.04 120.51 120.17 2qf9 n ALA 165 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2qf9 n ALA 165 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 2qf9 n ALA 165 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qf9 h LYS 166 N 0.00 1.08 -0.63 0.00 1.57 -1.11 0.57 116.57 118.05 2qf9 h LYS 166 Ca 0.00 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2qf9 h LYS 166 Cb 0.00 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.02 2qf9 h LYS 166 CO 0.00 0.72 0.35 0.78 -0.57 0.00 0.00 179.45 180.73 2qf9 h GLY 167 N 1.11 0.92 1.24 3.86 0.00 -1.67 -1.08 103.07 107.45 2qf9 h GLY 167 Ca 0.34 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 2qf9 h GLY 167 CO -0.10 0.17 -0.26 0.00 0.00 0.00 0.00 176.54 176.35 2qf9 h VAL 169 N 0.74 0.90 -0.10 0.00 2.07 -0.42 0.18 116.25 119.63 2qf9 h VAL 169 Ca 0.09 -0.28 -0.21 0.00 0.82 0.00 0.00 66.70 67.12 2qf9 h VAL 169 Cb 0.80 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2qf9 h VAL 169 CO 0.07 0.15 -0.79 -0.33 0.02 0.00 0.00 177.57 176.69 2qf9 h GLU 170 N 0.81 0.57 0.00 1.57 5.08 -0.94 -3.41 114.58 118.26 2qf9 h GLU 170 Ca 0.42 -0.48 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2qf9 h GLU 170 Cb 0.39 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2qf9 h GLU 170 CO -0.26 1.11 -1.40 0.54 -1.00 0.00 0.00 179.01 178.00 2qf9 n ARG 171 N -3.87 1.63 -2.10 2.33 1.74 -0.12 -5.02 116.66 111.25 2qf9 n ARG 171 Ca -0.06 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.58 2qf9 n ARG 171 Cb 0.74 -1.17 -0.02 0.00 -1.02 0.00 0.00 32.46 30.99 2qf9 n ARG 171 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qf9 n THR 173 N 0.64 0.00 -3.09 0.00 -2.24 -1.26 -4.84 114.28 103.48 2qf9 n THR 173 Ca 0.01 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 2qf9 n THR 173 Cb 0.42 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.23 2qf9 n THR 173 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qf9 s VAL 174 N -2.79 4.98 0.16 2.28 1.01 -1.26 -4.98 120.40 119.80 2qf9 s VAL 174 Ca 0.01 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 2qf9 s VAL 174 Cb 0.12 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.62 2qf9 s VAL 174 CO 0.68 0.04 1.62 1.23 0.00 0.00 0.00 175.10 178.66 2qf9 h GLY 175 N 8.81 -0.10 2.00 4.51 0.00 -1.99 -0.04 103.07 116.26 2qf9 h GLY 175 Ca -0.27 0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 2qf9 h GLY 175 CO 0.78 -0.21 -0.27 -0.39 0.00 0.00 0.00 176.54 176.45 2qf9 h VAL 176 N -0.21 1.10 -0.06 4.60 -1.51 -1.99 -0.26 116.25 117.92 2qf9 h VAL 176 Ca 0.17 -0.97 -0.12 0.00 -1.23 0.00 0.00 66.70 64.56 2qf9 h VAL 176 Cb 0.49 1.54 0.01 0.00 -2.13 0.00 0.00 31.29 31.19 2qf9 h VAL 176 CO -0.48 0.27 -0.42 -0.08 -1.23 0.00 0.00 177.57 175.62 2qf9 h GLU 177 N 0.00 0.40 -0.48 5.19 4.81 -1.71 -1.37 114.58 121.42 2qf9 h GLU 177 Ca -0.00 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2qf9 h GLU 177 Cb 0.51 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 2qf9 h GLU 177 CO 0.04 0.99 0.22 -0.22 -0.73 0.00 0.00 179.01 179.30 2qf9 h LYS 178 N -0.09 0.41 -0.43 1.92 3.64 -0.82 -0.62 116.57 120.59 2qf9 h LYS 178 Ca -0.04 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2qf9 h LYS 178 Cb 1.09 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 2qf9 h LYS 178 CO 0.09 0.27 0.22 -0.09 -2.27 0.00 0.00 179.45 177.67 2qf9 h ARG 179 N 0.42 0.43 -0.12 1.90 2.43 -1.04 -0.71 114.38 117.68 2qf9 h ARG 179 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2qf9 h ARG 179 Cb 0.17 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2qf9 h ARG 179 CO -0.18 0.28 0.08 1.25 -1.51 0.00 0.00 179.97 179.89 2qf9 h LEU 180 N 0.44 0.14 -0.43 3.80 5.85 -0.86 -1.33 115.31 122.92 2qf9 h LEU 180 Ca 0.19 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2qf9 h LEU 180 Cb 0.09 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2qf9 h LEU 180 CO -0.13 0.11 0.19 0.00 -0.34 0.00 0.00 178.44 178.27 2qf9 h ALA 181 N 1.03 0.53 -0.56 1.25 0.00 -0.85 -2.54 119.26 118.12 2qf9 h ALA 181 Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2qf9 h ALA 181 Cb -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2qf9 h ALA 181 CO -0.01 -0.18 0.22 -0.09 0.00 0.00 0.00 179.25 179.19 2qf9 h ARG 182 N 0.38 0.41 -1.63 0.00 2.43 -0.87 -1.33 114.38 113.77 2qf9 h ARG 182 Ca 0.19 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2qf9 h ARG 182 Cb 0.13 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2qf9 h ARG 182 CO -0.16 0.27 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 2qf9 n GLY 183 N -1.28 0.30 2.84 2.80 0.00 -0.52 -2.56 105.19 106.77 2qf9 n GLY 183 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2qf9 n GLY 183 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qf9 n VAL 185 N 0.86 0.00 -0.04 1.61 0.31 -0.50 -1.01 118.33 119.56 2qf9 n VAL 185 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2qf9 n VAL 185 Cb 0.07 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.93 2qf9 n VAL 185 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2qf9 h GLU 186 N 0.00 0.20 -0.37 5.55 5.08 -1.78 -1.67 114.58 121.59 2qf9 h GLU 186 Ca 0.00 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2qf9 h GLU 186 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2qf9 h GLU 186 CO 0.00 0.49 -0.10 0.66 -1.00 0.00 0.00 179.01 179.06 2qf9 h SER 187 N -0.11 0.73 -0.21 1.42 4.64 -1.36 -1.09 113.55 117.58 2qf9 h SER 187 Ca 0.03 -0.37 -0.12 0.00 -0.47 0.00 0.00 61.79 60.86 2qf9 h SER 187 Cb 0.41 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2qf9 h SER 187 CO 0.01 0.93 -0.28 1.56 -0.87 0.00 0.00 176.83 178.18 2qf9 h GLN 188 N 0.52 0.70 -0.61 4.77 4.20 -1.79 0.58 115.11 123.47 2qf9 h GLN 188 Ca 0.09 -0.30 0.01 0.00 0.06 0.00 0.00 58.65 58.51 2qf9 h GLN 188 Cb 0.62 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 2qf9 h GLN 188 CO 0.04 0.90 0.40 0.93 -0.67 0.00 0.00 178.83 180.43 2qf9 h GLU 189 N 0.60 0.80 -0.55 1.46 5.08 -1.17 -0.63 114.58 120.17 2qf9 h GLU 189 Ca 0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2qf9 h GLU 189 Cb 0.78 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2qf9 h GLU 189 CO 0.06 0.53 0.24 0.77 -1.00 0.00 0.00 179.01 179.62 2qf9 h SER 190 N 0.83 0.74 -0.38 1.42 0.02 -0.84 -2.31 113.55 113.03 2qf9 h SER 190 Ca 0.22 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 2qf9 h SER 190 Cb -0.09 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2qf9 h SER 190 CO -0.05 0.69 0.05 -0.33 -1.14 0.00 0.00 176.83 176.05 2qf9 h GLU 191 N 0.75 0.73 -0.46 3.45 5.08 -0.62 -0.77 114.58 122.73 2qf9 h GLU 191 Ca 0.19 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2qf9 h GLU 191 Cb 0.16 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2qf9 h GLU 191 CO -0.02 0.71 0.24 0.82 -1.00 0.00 0.00 179.01 179.76 2qf9 h ILE 192 N 0.69 0.98 -0.43 3.13 2.04 -0.78 -2.69 117.51 120.46 2qf9 h ILE 192 Ca 0.15 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2qf9 h ILE 192 Cb 0.36 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2qf9 h ILE 192 CO 0.01 0.09 0.25 0.03 0.00 0.00 0.00 178.15 178.53 2qf9 h ARG 193 N 0.47 0.58 -1.26 2.37 3.08 -0.79 -1.03 114.38 117.81 2qf9 h ARG 193 Ca 0.20 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2qf9 h ARG 193 Cb 0.09 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2qf9 h ARG 193 CO -0.13 0.43 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 2qf9 n LEU 194 N -4.75 0.01 0.00 3.04 4.77 -0.38 -2.65 117.00 117.05 2qf9 n LEU 194 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qf9 n LEU 194 Cb 0.06 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2qf9 n LEU 194 CO 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 2qf9 n ALA 196 N 0.81 0.00 -0.26 -1.18 0.00 -0.39 -2.21 120.51 117.29 2qf9 n ALA 196 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2qf9 n ALA 196 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2qf9 n ALA 196 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qf9 h ASP 197 N 0.00 0.74 -0.56 0.00 3.32 -1.79 -0.90 116.42 117.22 2qf9 h ASP 197 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2qf9 h ASP 197 Cb 0.00 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2qf9 h ASP 197 CO 0.00 0.51 0.02 -0.07 -1.72 0.00 0.00 179.24 177.98 2qf9 h LEU 198 N 0.88 0.98 -0.15 1.55 3.38 -1.75 -0.59 115.31 119.60 2qf9 h LEU 198 Ca 0.29 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2qf9 h LEU 198 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2qf9 h LEU 198 CO -0.11 1.02 0.05 -0.07 0.09 0.00 0.00 178.44 179.42 2qf9 h LEU 199 N 0.93 0.06 -0.37 1.67 3.38 -1.79 -2.58 115.31 116.62 2qf9 h LEU 199 Ca 0.17 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.19 2qf9 h LEU 199 Cb 0.51 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2qf9 h LEU 199 CO 0.02 0.06 0.17 0.00 0.09 0.00 0.00 178.44 178.78 2qf9 h ALA 200 N 1.10 0.45 -0.74 1.53 0.00 -0.86 0.13 119.26 120.86 2qf9 h ALA 200 Ca 0.07 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2qf9 h ALA 200 Cb 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2qf9 h ALA 200 CO -0.07 -0.21 0.49 0.93 0.00 0.00 0.00 179.25 180.40 2qf9 h GLU 201 N 0.35 0.46 -0.50 0.00 5.08 -1.00 -0.98 114.58 117.99 2qf9 h GLU 201 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2qf9 h GLU 201 Cb 0.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2qf9 h GLU 201 CO -0.13 0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.73 2qf9 n ARG 202 N -4.49 2.23 -2.15 2.33 1.74 -0.65 -4.92 116.66 110.75 2qf9 n ARG 202 Ca 0.14 -1.76 -0.13 0.00 -0.77 0.00 0.00 57.85 55.33 2qf9 n ARG 202 Cb 0.47 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.47 2qf9 n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qf9 n GLY 203 N 1.20 0.00 3.53 -0.13 0.00 -0.37 -5.01 105.19 104.41 2qf9 n GLY 203 Ca 0.16 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 2qf9 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf9 s ALA 204 N -2.65 2.89 0.37 4.61 0.00 0.35 -5.00 121.76 122.33 2qf9 s ALA 204 Ca 0.00 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.45 2qf9 s ALA 204 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2qf9 s ALA 204 CO 0.00 -0.26 0.17 0.15 0.00 0.00 0.00 175.76 175.82 2qf9 s LYS 205 N -3.81 1.84 0.36 0.00 1.02 -1.26 -3.12 119.74 114.76 2qf9 s LYS 205 Ca 0.27 -2.10 -0.26 0.00 0.02 0.00 0.00 55.97 53.91 2qf9 s LYS 205 Cb 0.06 -0.32 -0.12 0.00 -0.52 0.00 0.00 37.83 36.93 2qf9 s LYS 205 CO 0.14 -0.51 1.00 0.39 -0.92 0.00 0.00 175.35 175.45 2qf9 n GLU 206 N -0.79 1.37 -1.15 1.68 4.71 -1.26 -4.89 120.64 120.31 2qf9 n GLU 206 Ca -0.02 0.49 -0.34 0.00 -0.01 0.00 0.00 57.16 57.28 2qf9 n GLU 206 Cb 0.64 -1.95 0.12 0.00 -1.01 0.00 0.00 31.44 29.25 2qf9 n GLU 206 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qf9 n GLY 207 N 1.20 -0.06 3.66 0.62 0.00 -1.26 -4.96 105.19 104.39 2qf9 n GLY 207 Ca 0.09 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2qf9 n GLY 207 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qf9 n HIS 208 N -3.18 1.73 -2.57 1.61 -0.00 -1.26 -4.92 115.22 106.64 2qf9 n HIS 208 Ca 0.14 0.54 -0.43 0.00 0.46 0.00 0.00 57.72 58.43 2qf9 n HIS 208 Cb 0.50 -2.32 -0.02 0.00 -0.12 0.00 0.00 29.99 28.04 2qf9 n HIS 208 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2qf9 s HIS 209 N -1.21 2.72 -1.86 1.57 3.76 -1.26 -4.88 115.29 114.13 2qf9 s HIS 209 Ca 0.61 0.63 0.24 0.00 -0.15 0.00 0.00 55.06 56.39 2qf9 s HIS 209 Cb -0.55 -4.46 0.29 0.00 1.11 0.00 0.00 32.58 28.98 2qf9 s HIS 209 CO 0.58 -1.42 1.28 0.72 -0.85 0.00 0.00 174.74 175.04 2qf9 n HIS 210 N 8.11 0.00 -0.76 1.40 8.25 -1.26 -5.34 115.22 125.62 2qf9 n HIS 210 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2qf9 n HIS 210 Cb 0.49 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2qf9 n HIS 210 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70