#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsb h ARG 3 N 0.00 0.68 0.02 5.55 3.08 -2.04 0.75 114.38 122.42 2qsb h ARG 3 Ca 0.00 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2qsb h ARG 3 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2qsb h ARG 3 CO 0.00 0.69 -0.10 0.28 -1.07 0.00 0.00 179.97 179.77 2qsb h VAL 4 N 0.56 0.74 -0.15 2.04 2.07 -2.04 -0.86 116.25 118.61 2qsb h VAL 4 Ca 0.13 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 2qsb h VAL 4 Cb 0.31 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2qsb h VAL 4 CO 0.00 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 177.92 2qsb h ASP 5 N -0.19 0.35 -0.32 0.57 3.32 -1.93 -2.04 116.42 116.18 2qsb h ASP 5 Ca 0.03 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2qsb h ASP 5 Cb 0.23 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2qsb h ASP 5 CO -0.09 0.73 0.03 -0.61 -1.72 0.00 0.00 179.24 177.58 2qsb h GLN 6 N -0.02 0.65 0.05 3.56 5.75 -0.83 -0.46 115.11 123.80 2qsb h GLN 6 Ca 0.03 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2qsb h GLN 6 Cb 0.62 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2qsb h GLN 6 CO 0.03 0.65 -0.02 -0.97 -2.65 0.00 0.00 178.83 175.86 2qsb h ASN 7 N 0.62 -0.06 -0.77 -0.69 -0.73 -1.03 -0.42 115.58 112.51 2qsb h ASN 7 Ca 0.13 -0.15 0.11 0.00 1.87 0.00 0.00 56.30 58.26 2qsb h ASN 7 Cb 0.34 0.01 -0.08 0.00 0.27 0.00 0.00 38.32 38.87 2qsb h ASN 7 CO 0.01 0.11 0.39 -0.07 -0.37 0.00 0.00 177.43 177.50 2qsb h LEU 8 N -0.23 0.49 -0.37 0.34 3.38 -1.10 -1.54 115.31 116.29 2qsb h LEU 8 Ca -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2qsb h LEU 8 Cb 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2qsb h LEU 8 CO 0.01 0.26 0.18 0.15 0.09 0.00 0.00 178.44 179.13 2qsb h PHE 9 N 0.62 0.52 -0.63 1.13 3.57 -0.75 -0.27 116.94 121.13 2qsb h PHE 9 Ca 0.39 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.91 2qsb h PHE 9 Cb 0.46 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2qsb h PHE 9 CO -0.10 0.43 0.38 -0.91 -2.23 0.00 0.00 178.31 175.88 2qsb h ASN 10 N 0.46 0.60 -0.59 0.41 2.35 -0.54 -2.64 115.58 115.63 2qsb h ASN 10 Ca 0.13 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2qsb h ASN 10 Cb 0.10 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2qsb h ASN 10 CO -0.02 0.41 0.11 -0.33 -1.65 0.00 0.00 177.43 175.95 2qsb h GLU 11 N 0.73 0.96 -0.93 0.81 5.08 -0.99 -1.86 114.58 118.38 2qsb h GLU 11 Ca 0.26 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2qsb h GLU 11 Cb 0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2qsb h GLU 11 CO -0.12 0.91 0.00 0.28 -1.00 0.00 0.00 179.01 179.07 2qsb n VAL 12 N -4.33 0.01 0.00 3.13 0.31 -0.14 -0.62 118.33 116.69 2qsb n VAL 12 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2qsb n VAL 12 Cb 0.27 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 2qsb n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qsb n TYR 14 N 0.72 0.00 -0.10 3.52 9.36 -0.70 -0.67 117.16 129.29 2qsb n TYR 14 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 2qsb n TYR 14 Cb 0.01 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 38.80 2qsb n TYR 14 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2qsb h LEU 15 N 0.00 0.82 -0.78 2.98 3.38 -1.13 -0.31 115.31 120.27 2qsb h LEU 15 Ca 0.00 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2qsb h LEU 15 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qsb h LEU 15 CO 0.00 0.99 -0.03 -0.07 0.09 0.00 0.00 178.44 179.42 2qsb h LEU 16 N 0.72 0.87 -0.24 1.67 3.38 -1.13 -0.54 115.31 120.04 2qsb h LEU 16 Ca 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qsb h LEU 16 Cb 0.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2qsb h LEU 16 CO 0.05 0.95 0.12 -0.78 0.09 0.00 0.00 178.44 178.87 2qsb h ASP 17 N 0.82 0.31 -0.54 -0.43 3.58 -1.67 -0.50 116.42 117.99 2qsb h ASP 17 Ca 0.15 -0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.55 2qsb h ASP 17 Cb 0.53 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.45 2qsb h ASP 17 CO 0.03 0.33 0.25 -0.33 -2.88 0.00 0.00 179.24 176.63 2qsb h GLU 18 N 0.26 0.46 -0.83 0.28 4.39 -0.92 -2.45 114.58 115.77 2qsb h GLU 18 Ca 0.08 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2qsb h GLU 18 Cb 0.10 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2qsb h GLU 18 CO -0.01 0.30 0.42 1.25 -1.16 0.00 0.00 179.01 179.81 2qsb h LEU 19 N 0.47 1.06 -2.23 1.33 5.85 -0.80 -1.90 115.31 119.09 2qsb h LEU 19 Ca 0.25 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2qsb h LEU 19 Cb 0.21 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 2qsb h LEU 19 CO -0.20 0.88 -0.05 0.77 -0.34 0.00 0.00 178.44 179.50 2qsb h SER 20 N 1.17 0.00 -0.34 1.25 4.64 -0.63 -2.27 113.55 117.37 2qsb h SER 20 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2qsb h SER 20 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2qsb h SER 20 CO -0.04 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2qsb n GLN 21 N -3.43 2.36 -2.95 4.77 1.13 -0.75 -4.80 117.38 113.70 2qsb n GLN 21 Ca -0.02 -2.16 -0.43 0.00 -1.94 0.00 0.00 57.00 52.45 2qsb n GLN 21 Cb 0.18 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.01 2qsb n GLN 21 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qsb s ASP 22 N -1.42 6.30 0.00 1.08 -1.08 -0.85 -4.89 116.67 115.81 2qsb s ASP 22 Ca 0.35 -0.53 0.15 0.00 -0.52 0.00 0.00 52.55 52.00 2qsb s ASP 22 Cb 0.21 -2.38 0.69 0.00 -1.46 0.00 0.00 42.92 39.97 2qsb s ASP 22 CO 0.29 -1.10 1.45 2.30 0.52 0.00 0.00 175.17 178.63 2qsb n ILE 23 N 6.00 0.82 1.49 4.11 -6.64 -1.26 -2.63 119.36 121.25 2qsb n ILE 23 Ca -0.01 0.20 0.14 0.00 -1.77 0.00 0.00 62.75 61.31 2qsb n ILE 23 Cb 0.47 -0.95 0.52 0.00 -1.44 0.00 0.00 39.64 38.24 2qsb n ILE 23 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 2qsb n THR 24 N -1.41 0.00 -4.26 7.28 -2.24 -1.26 -4.83 114.28 107.55 2qsb n THR 24 Ca 0.05 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 2qsb n THR 24 Cb 0.15 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 2qsb n THR 24 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2qsb s VAL 25 N -2.02 3.31 0.75 2.28 -7.23 -1.08 -4.86 120.40 111.54 2qsb s VAL 25 Ca 0.38 -1.88 -0.14 0.00 -1.81 0.00 0.00 61.98 58.53 2qsb s VAL 25 Cb 0.21 -2.87 0.05 0.00 0.56 0.00 0.00 36.38 34.33 2qsb s VAL 25 CO 0.34 -0.32 1.17 -2.84 -0.31 0.00 0.00 175.10 173.14 2qsb s PRO 26 N -3.71 2.10 0.53 4.82 0.02 -1.26 -4.82 135.00 132.68 2qsb s PRO 26 Ca 0.33 1.60 0.20 0.00 0.02 0.00 0.00 61.00 63.15 2qsb s PRO 26 Cb -0.05 -1.85 1.36 0.00 0.02 0.00 0.00 34.50 33.98 2qsb s PRO 26 CO 0.20 -1.83 2.12 1.57 -0.33 0.00 0.00 177.00 178.73 2qsb h LYS 27 N -0.55 0.00 -0.04 5.54 2.10 -1.95 -1.18 116.57 120.49 2qsb h LYS 27 Ca -0.46 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.07 2qsb h LYS 27 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 2qsb h LYS 27 CO 0.49 0.00 -0.51 -2.95 -2.00 0.00 0.00 179.45 174.49 2qsb h ASN 28 N 0.00 0.10 -0.27 7.07 -1.07 -1.99 -1.32 115.58 118.09 2qsb h ASN 28 Ca 0.07 -0.05 -0.13 0.00 0.07 0.00 0.00 56.30 56.26 2qsb h ASN 28 Cb 0.27 -0.03 -0.00 0.00 -2.07 0.00 0.00 38.32 36.49 2qsb h ASN 28 CO -0.00 0.59 -0.33 0.58 0.07 0.00 0.00 177.43 178.34 2qsb h VAL 29 N 0.07 1.30 -0.65 6.14 2.07 -1.59 -1.41 116.25 122.19 2qsb h VAL 29 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 2qsb h VAL 29 Cb 0.92 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2qsb h VAL 29 CO 0.07 0.48 0.39 0.03 0.02 0.00 0.00 177.57 178.56 2qsb h ARG 30 N 0.44 0.88 -0.32 1.57 3.08 -1.13 -0.76 114.38 118.14 2qsb h ARG 30 Ca 0.04 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 2qsb h ARG 30 Cb 0.91 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2qsb h ARG 30 CO 0.08 0.63 -0.34 -0.22 -1.07 0.00 0.00 179.97 179.04 2qsb h LYS 31 N 0.90 0.79 -0.21 0.04 1.63 -1.12 -1.67 116.57 116.94 2qsb h LYS 31 Ca 0.24 -0.43 -0.06 0.00 -0.85 0.00 0.00 60.65 59.55 2qsb h LYS 31 Cb -0.03 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 2qsb h LYS 31 CO -0.04 1.06 -0.14 -0.24 -3.45 0.00 0.00 179.45 176.63 2qsb h VAL 32 N 0.56 1.21 -0.38 2.00 3.04 -0.94 -0.04 116.25 121.70 2qsb h VAL 32 Ca 0.05 -0.92 -0.09 0.00 -1.01 0.00 0.00 66.70 64.73 2qsb h VAL 32 Cb 0.92 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 2qsb h VAL 32 CO 0.08 0.29 -0.11 0.00 -1.01 0.00 0.00 177.57 176.82 2qsb h ALA 33 N 1.54 0.52 -0.33 3.17 0.00 -1.01 -0.54 119.26 122.62 2qsb h ALA 33 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2qsb h ALA 33 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qsb h ALA 33 CO 0.03 0.40 0.14 1.96 0.00 0.00 0.00 179.25 181.77 2qsb h GLN 34 N 0.54 0.48 -0.20 0.00 4.20 -0.87 -1.69 115.11 117.58 2qsb h GLN 34 Ca 0.09 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 2qsb h GLN 34 Cb 0.63 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2qsb h GLN 34 CO 0.04 0.47 -0.14 -0.44 -0.67 0.00 0.00 178.83 178.10 2qsb h ASP 35 N 0.38 0.31 -0.34 1.46 3.32 -0.97 -1.87 116.42 118.72 2qsb h ASP 35 Ca 0.11 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2qsb h ASP 35 Cb 0.16 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2qsb h ASP 35 CO -0.01 0.47 -0.08 0.28 -1.72 0.00 0.00 179.24 178.19 2qsb h SER 36 N 0.30 0.66 -0.22 6.45 0.02 -0.80 -0.92 113.55 119.04 2qsb h SER 36 Ca 0.06 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2qsb h SER 36 Cb 0.43 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2qsb h SER 36 CO 0.03 0.86 0.10 0.11 -1.14 0.00 0.00 176.83 176.79 2qsb h LYS 37 N 0.44 0.21 -0.86 3.45 1.57 -0.98 -0.46 116.57 119.93 2qsb h LYS 37 Ca 0.09 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2qsb h LYS 37 Cb 0.57 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 2qsb h LYS 37 CO 0.03 0.14 0.56 0.00 -0.57 0.00 0.00 179.45 179.61 2qsb h ALA 38 N 1.12 1.12 -0.39 3.86 0.00 -1.20 -0.94 119.26 122.83 2qsb h ALA 38 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2qsb h ALA 38 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2qsb h ALA 38 CO -0.07 0.43 0.13 -0.22 0.00 0.00 0.00 179.25 179.52 2qsb h LYS 39 N 1.11 0.60 0.00 0.00 1.63 -0.75 -1.98 116.57 117.19 2qsb h LYS 39 Ca 0.33 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 2qsb h LYS 39 Cb -0.04 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.50 2qsb h LYS 39 CO -0.10 0.60 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.40 2qsb h LEU 40 N 0.48 0.00 -1.44 5.20 3.38 -0.63 -2.25 115.31 120.05 2qsb h LEU 40 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qsb h LEU 40 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qsb h LEU 40 CO -0.01 0.03 0.00 -1.20 0.09 0.00 0.00 178.44 177.36 2qsb n SER 41 N -3.33 2.11 -4.54 -0.43 7.64 -0.40 -4.60 113.62 110.07 2qsb n SER 41 Ca -0.02 -2.04 -0.43 0.00 1.01 0.00 0.00 58.87 57.39 2qsb n SER 41 Cb 0.16 -0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2qsb n SER 41 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2qsb s GLN 42 N -1.54 3.86 0.54 1.43 -0.21 -0.85 -4.79 119.66 118.10 2qsb s GLN 42 Ca 0.25 -1.86 0.36 0.00 0.02 0.00 0.00 55.36 54.13 2qsb s GLN 42 Cb 0.14 -5.33 1.97 0.00 1.00 0.00 0.00 33.01 30.78 2qsb s GLN 42 CO 0.16 -2.10 2.12 1.49 -2.12 0.00 0.00 175.29 174.84 2qsb h GLU 43 N 8.20 0.00 0.00 2.91 4.22 -1.89 -1.53 114.58 126.49 2qsb h GLU 43 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.77 2qsb h GLU 43 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2qsb h GLU 43 CO 1.37 0.00 -0.69 -0.91 -2.18 0.00 0.00 179.01 176.60 2qsb h ASN 44 N 0.00 0.00 -3.82 1.04 2.35 -1.97 -3.46 115.58 109.72 2qsb h ASN 44 Ca 0.00 -0.20 -0.48 0.00 -0.55 0.00 0.00 56.30 55.07 2qsb h ASN 44 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2qsb h ASN 44 CO 0.00 0.10 0.19 -0.70 -1.65 0.00 0.00 177.43 175.37 2qsb s GLU 45 N -3.19 4.13 0.47 0.81 2.12 -0.58 -5.00 118.70 117.46 2qsb s GLU 45 Ca 0.05 0.87 -0.24 0.00 0.36 0.00 0.00 54.97 56.01 2qsb s GLU 45 Cb 0.13 -2.43 -0.08 0.00 0.26 0.00 0.00 34.13 32.01 2qsb s GLU 45 CO 0.73 0.13 1.36 -1.13 -0.54 0.00 0.00 175.26 175.82 2qsb n SER 46 N -0.27 2.88 0.20 -1.70 3.41 -1.26 -4.84 113.62 112.04 2qsb n SER 46 Ca 0.04 1.07 0.06 0.00 -0.26 0.00 0.00 58.87 59.78 2qsb n SER 46 Cb 0.53 -1.56 0.54 0.00 -0.26 0.00 0.00 64.21 63.45 2qsb n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2qsb h LEU 47 N 1.96 0.08 -0.50 1.04 5.85 -1.92 -1.19 115.31 120.62 2qsb h LEU 47 Ca -0.50 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.06 2qsb h LEU 47 Cb 1.29 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2qsb h LEU 47 CO 0.59 0.15 -0.74 -2.24 -0.34 0.00 0.00 178.44 175.86 2qsb h ASP 48 N 0.09 0.00 0.06 1.25 3.04 -1.97 -0.31 116.42 118.57 2qsb h ASP 48 Ca 0.02 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.70 2qsb h ASP 48 Cb 0.16 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.43 2qsb h ASP 48 CO 0.01 0.74 -0.35 -0.07 -2.04 0.00 0.00 179.24 177.53 2qsb h LEU 49 N 0.00 0.42 -0.11 0.15 3.38 -1.77 -1.44 115.31 115.95 2qsb h LEU 49 Ca -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2qsb h LEU 49 Cb 1.32 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2qsb h LEU 49 CO 0.10 0.75 -0.06 0.03 0.09 0.00 0.00 178.44 179.34 2qsb h ARG 50 N 0.35 0.24 -0.77 1.13 3.08 -1.02 -2.40 114.38 114.98 2qsb h ARG 50 Ca 0.04 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2qsb h ARG 50 Cb 0.78 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2qsb h ARG 50 CO 0.06 0.60 0.31 0.00 -1.07 0.00 0.00 179.97 179.87 2qsb h ALA 52 N 1.16 0.66 -0.30 0.00 0.00 -1.24 0.15 119.26 119.69 2qsb h ALA 52 Ca 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2qsb h ALA 52 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2qsb h ALA 52 CO -0.02 0.24 0.05 1.15 0.00 0.00 0.00 179.25 180.66 2qsb h THR 53 N 0.68 1.23 -0.62 0.00 2.02 -1.23 -1.79 112.91 113.21 2qsb h THR 53 Ca 0.17 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 2qsb h THR 53 Cb 0.14 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2qsb h THR 53 CO -0.02 0.26 0.25 0.58 0.37 0.00 0.00 175.52 176.96 2qsb h VAL 54 N 0.32 1.23 -0.93 3.16 2.07 -1.12 -2.45 116.25 118.53 2qsb h VAL 54 Ca 0.09 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 66.98 2qsb h VAL 54 Cb 0.34 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2qsb h VAL 54 CO 0.01 0.28 0.58 -0.07 0.02 0.00 0.00 177.57 178.39 2qsb h LEU 55 N 0.86 0.87 -1.29 2.57 3.38 -0.53 -0.32 115.31 120.85 2qsb h LEU 55 Ca 0.21 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2qsb h LEU 55 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2qsb h LEU 55 CO -0.02 0.50 0.00 -0.24 0.09 0.00 0.00 178.44 178.78 2qsb n SER 56 N -4.63 0.31 0.00 -0.43 2.88 -0.69 -0.91 113.62 110.14 2qsb n SER 56 Ca 0.16 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 2qsb n SER 56 Cb 0.27 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2qsb n SER 56 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2qsb n LEU 58 N 0.55 0.00 -0.17 2.46 4.77 -0.13 -1.92 117.00 122.56 2qsb n LEU 58 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2qsb n LEU 58 Cb 0.06 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 2qsb n LEU 58 CO 0.00 0.00 1.00 -0.78 -1.33 0.00 0.00 177.39 176.28 2qsb h ASP 59 N 0.00 0.30 0.00 -1.43 -0.00 -1.26 0.73 116.42 114.76 2qsb h ASP 59 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 2qsb h ASP 59 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.32 2qsb h ASP 59 CO 0.00 0.21 0.00 -0.62 -0.00 0.00 0.00 179.24 178.83 2qsb n GLU 60 N -4.93 0.00 0.00 0.28 1.02 -0.81 -2.20 120.64 114.00 2qsb n GLU 60 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2qsb n GLU 60 Cb 0.17 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2qsb n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qsb n ALA 62 N 0.55 0.00 1.05 0.62 0.00 0.25 -2.59 120.51 120.38 2qsb n ALA 62 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2qsb n ALA 62 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 2qsb n ALA 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qsb n ASN 63 N 0.00 2.23 -4.64 0.00 3.02 -0.94 -4.88 115.26 110.05 2qsb n ASN 63 Ca 0.00 -1.77 -0.43 0.00 -0.03 0.00 0.00 54.58 52.35 2qsb n ASN 63 Cb 0.00 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 2qsb n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qsb s ASP 64 N -1.71 6.94 0.22 6.41 -1.08 -1.07 -4.92 116.67 121.46 2qsb s ASP 64 Ca 0.34 1.10 0.19 0.00 -0.52 0.00 0.00 52.55 53.65 2qsb s ASP 64 Cb 0.20 -2.51 0.88 0.00 -1.46 0.00 0.00 42.92 40.02 2qsb s ASP 64 CO 0.30 -0.75 1.57 -0.81 0.52 0.00 0.00 175.17 176.00 2qsb n PRO 65 N 6.53 0.12 0.03 4.34 -0.04 -1.26 -1.88 135.00 142.85 2qsb n PRO 65 Ca 0.10 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 2qsb n PRO 65 Cb 0.47 -1.81 0.53 0.00 -0.04 0.00 0.00 33.50 32.65 2qsb n PRO 65 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qsb n ASN 66 N -2.06 0.21 -4.71 3.54 3.02 -1.26 -4.81 115.26 109.19 2qsb n ASN 66 Ca 0.01 0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 54.66 2qsb n ASN 66 Cb 0.12 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 2qsb n ASN 66 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qsb s VAL 67 N -3.04 4.38 0.69 2.41 1.01 -0.79 -4.84 120.40 120.22 2qsb s VAL 67 Ca 0.12 1.73 -0.14 0.00 0.00 0.00 0.00 61.98 63.69 2qsb s VAL 67 Cb 0.16 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2qsb s VAL 67 CO 0.51 0.15 1.12 -2.16 0.00 0.00 0.00 175.10 174.71 2qsb s PRO 68 N 0.93 2.62 0.23 2.72 0.04 -1.26 -4.76 135.00 135.52 2qsb s PRO 68 Ca 0.55 1.40 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 2qsb s PRO 68 Cb -0.26 -1.93 0.38 0.00 0.04 0.00 0.00 34.50 32.73 2qsb s PRO 68 CO 0.29 -1.39 1.71 0.00 0.04 0.00 0.00 177.00 177.65 2qsb h ALA 69 N -0.19 0.88 -0.18 8.56 0.00 -1.97 0.14 119.26 126.49 2qsb h ALA 69 Ca -0.46 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2qsb h ALA 69 Cb 1.25 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2qsb h ALA 69 CO 0.53 -0.27 -0.17 1.12 0.00 0.00 0.00 179.25 180.46 2qsb h HIS 70 N 0.34 0.32 -0.16 0.00 2.07 -1.99 -1.74 115.15 113.99 2qsb h HIS 70 Ca 0.36 -0.05 -0.16 0.00 -2.85 0.00 0.00 60.37 57.68 2qsb h HIS 70 Cb 0.55 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 30.44 2qsb h HIS 70 CO -0.21 0.47 -0.57 0.78 -3.07 0.00 0.00 177.93 175.32 2qsb h GLY 71 N 0.87 0.56 1.00 6.13 0.00 -1.39 -1.32 103.07 108.92 2qsb h GLY 71 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2qsb h GLY 71 CO 0.03 0.59 0.19 -0.09 0.00 0.00 0.00 176.54 177.26 2qsb h ARG 72 N 0.39 0.37 -0.83 4.80 2.43 -0.63 -0.41 114.38 120.51 2qsb h ARG 72 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qsb h ARG 72 Cb 1.11 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 2qsb h ARG 72 CO 0.10 0.24 0.53 1.15 -1.51 0.00 0.00 179.97 180.48 2qsb h THR 73 N 0.38 1.22 -0.98 0.20 2.02 -1.19 0.59 112.91 115.15 2qsb h THR 73 Ca 0.10 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.85 2qsb h THR 73 Cb -0.04 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.35 2qsb h THR 73 CO -0.02 0.22 0.65 0.44 0.37 0.00 0.00 175.52 177.18 2qsb h ASP 74 N 1.13 1.11 -0.27 4.18 3.32 -0.76 0.48 116.42 125.62 2qsb h ASP 74 Ca 0.30 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2qsb h ASP 74 Cb -0.09 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 2qsb h ASP 74 CO -0.06 0.80 0.08 -0.07 -1.72 0.00 0.00 179.24 178.27 2qsb h LEU 75 N 1.31 0.40 -1.34 1.55 3.38 -0.30 -2.61 115.31 117.70 2qsb h LEU 75 Ca 0.36 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2qsb h LEU 75 Cb -0.12 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2qsb h LEU 75 CO -0.09 0.50 0.09 1.88 0.09 0.00 0.00 178.44 180.92 2qsb h TYR 76 N 0.27 0.54 -0.35 1.13 0.05 -0.33 -0.14 116.97 118.14 2qsb h TYR 76 Ca 0.09 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 2qsb h TYR 76 Cb 0.25 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2qsb h TYR 76 CO 0.01 0.47 0.20 1.15 -1.05 0.00 0.00 178.16 178.93 2qsb h THR 77 N 0.53 1.13 -0.24 -2.88 2.02 -0.77 0.18 112.91 112.88 2qsb h THR 77 Ca 0.13 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 2qsb h THR 77 Cb 0.20 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2qsb h THR 77 CO -0.00 0.14 -0.01 0.40 0.37 0.00 0.00 175.52 176.41 2qsb h ILE 78 N 0.45 1.26 -0.68 3.11 2.04 -1.06 -2.49 117.51 120.14 2qsb h ILE 78 Ca 0.12 -0.93 0.09 0.00 1.00 0.00 0.00 64.86 65.15 2qsb h ILE 78 Cb 0.05 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 2qsb h ILE 78 CO -0.02 0.29 0.32 0.40 0.00 0.00 0.00 178.15 179.14 2qsb h ILE 79 N 0.21 0.83 -0.67 -0.67 2.04 -0.92 -0.84 117.51 117.49 2qsb h ILE 79 Ca 0.07 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2qsb h ILE 79 Cb 0.43 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2qsb h ILE 79 CO 0.01 0.10 0.37 0.77 0.00 0.00 0.00 178.15 179.40 2qsb h SER 80 N 0.55 0.84 -0.53 1.72 4.64 -0.71 0.10 113.55 120.15 2qsb h SER 80 Ca 0.33 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2qsb h SER 80 Cb 0.36 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2qsb h SER 80 CO -0.27 0.69 -0.13 0.11 -0.87 0.00 0.00 176.83 176.35 2qsb h LYS 81 N 0.92 1.03 -0.75 4.77 1.57 -0.98 -1.26 116.57 121.87 2qsb h LYS 81 Ca 0.24 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2qsb h LYS 81 Cb 0.04 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2qsb h LYS 81 CO -0.04 1.09 0.35 -0.07 -0.57 0.00 0.00 179.45 180.21 2qsb h LEU 82 N 0.91 0.97 -0.49 2.94 3.38 -0.76 -0.80 115.31 121.46 2qsb h LEU 82 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qsb h LEU 82 Cb 0.71 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2qsb h LEU 82 CO 0.05 0.82 0.28 -0.33 0.09 0.00 0.00 178.44 179.35 2qsb h GLU 83 N 1.06 0.68 -0.04 1.13 5.08 -0.61 0.45 114.58 122.33 2qsb h GLU 83 Ca 0.26 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2qsb h GLU 83 Cb 0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2qsb h GLU 83 CO -0.03 0.52 -0.29 0.00 -1.00 0.00 0.00 179.01 178.21 2qsb h ALA 84 N 1.12 1.46 0.11 3.43 0.00 -0.82 -2.88 119.26 121.67 2qsb h ALA 84 Ca 0.17 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 2qsb h ALA 84 Cb 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qsb h ALA 84 CO -0.03 0.40 -1.19 1.25 0.00 0.00 0.00 179.25 179.68 2qsb h LEU 85 N 0.06 0.61 -0.42 0.00 5.85 -0.79 -3.50 115.31 117.11 2qsb h LEU 85 Ca 0.01 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2qsb h LEU 85 Cb 0.54 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2qsb h LEU 85 CO 0.04 1.42 0.00 -0.24 -0.34 0.00 0.00 178.44 179.32