#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou n LYS 2 N 0.00 -4.93 0.06 0.00 4.76 -1.26 -3.94 118.16 112.85 2qou n LYS 2 Ca 0.00 3.64 -0.13 0.00 -2.87 0.00 0.00 58.31 58.95 2qou n LYS 2 Cb 0.00 -4.96 -0.08 0.00 -1.84 0.00 0.00 35.03 28.15 2qou n LYS 2 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2qou h GLN 3 N 4.23 -0.54 -0.23 1.97 5.75 -2.02 -0.72 115.11 123.55 2qou h GLN 3 Ca -0.33 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.24 2qou h GLN 3 Cb 0.74 0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.36 2qou h GLN 3 CO 0.01 -0.36 -0.45 0.66 -2.65 0.00 0.00 178.83 176.03 2qou h SER 4 N -0.56 -1.49 -0.36 -0.69 4.64 -2.01 -2.20 113.55 110.89 2qou h SER 4 Ca 0.01 0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.55 2qou h SER 4 Cb 0.59 0.60 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 2qou h SER 4 CO -0.27 -0.36 -0.47 0.24 -0.87 0.00 0.00 176.83 175.10 2qou h MET 5 N -0.40 -0.31 -0.96 4.77 2.86 -1.79 -0.33 114.93 118.76 2qou h MET 5 Ca 0.04 0.02 0.31 0.00 -2.06 0.00 0.00 59.70 58.01 2qou h MET 5 Cb 0.52 0.07 -0.16 0.00 0.06 0.00 0.00 31.60 32.09 2qou h MET 5 CO -0.43 -0.21 0.36 0.87 1.06 0.00 0.00 176.91 178.56 2qou h LYS 6 N -0.32 0.14 -0.43 1.72 1.57 -0.81 0.66 116.57 119.10 2qou h LYS 6 Ca 0.06 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2qou h LYS 6 Cb 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2qou h LYS 6 CO -0.51 0.10 0.18 0.00 -0.57 0.00 0.00 179.45 178.65 2qou h ALA 7 N 1.89 0.53 -1.00 3.86 0.00 -0.45 -1.41 119.26 122.69 2qou h ALA 7 Ca 0.68 0.04 0.33 0.00 0.00 0.00 0.00 54.91 55.96 2qou h ALA 7 Cb 1.56 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 19.18 2qou h ALA 7 CO -0.72 -0.19 0.57 0.00 0.00 0.00 0.00 179.25 178.90 2qou h ARG 8 N 0.37 0.29 -0.32 0.00 3.08 0.72 0.56 114.38 119.09 2qou h ARG 8 Ca 0.20 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.23 2qou h ARG 8 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2qou h ARG 8 CO -0.17 0.19 0.21 1.49 -1.07 0.00 0.00 179.97 180.62 2qou h GLU 9 N 0.30 0.41 -0.79 0.04 4.57 -1.17 -2.79 114.58 115.15 2qou h GLU 9 Ca 0.74 -0.02 0.19 0.00 -1.18 0.00 0.00 59.36 59.09 2qou h GLU 9 Cb 1.71 -0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 30.08 2qou h GLU 9 CO -0.62 0.27 0.06 0.28 -1.18 0.00 0.00 179.01 177.83 2qou h VAL 10 N 0.42 0.33 0.00 0.32 2.07 0.18 -1.79 116.25 117.78 2qou h VAL 10 Ca 0.12 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2qou h VAL 10 Cb -0.03 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2qou h VAL 10 CO -0.04 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.87 2qou n LYS 11 N -5.31 0.00 -0.41 1.57 4.76 -1.05 -1.97 118.16 115.74 2qou n LYS 11 Ca 0.16 0.51 0.36 0.00 -2.87 0.00 0.00 58.31 56.46 2qou n LYS 11 Cb 0.53 -1.25 0.69 0.00 -1.84 0.00 0.00 35.03 33.16 2qou n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qou h ARG 12 N 0.00 0.10 0.15 1.97 3.08 -1.57 -0.53 114.38 117.58 2qou h ARG 12 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2qou h ARG 12 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2qou h ARG 12 CO 0.00 0.06 -0.07 0.28 -1.07 0.00 0.00 179.97 179.17 2qou h VAL 13 N 0.10 0.00 0.52 2.04 2.07 -0.67 -1.95 116.25 118.36 2qou h VAL 13 Ca 0.68 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.18 2qou h VAL 13 Cb 2.40 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2qou h VAL 13 CO -0.15 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.17 2qou h ALA 14 N -1.90 -0.74 -0.95 1.67 0.00 -0.78 -2.95 119.26 113.61 2qou h ALA 14 Ca -0.02 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 54.99 2qou h ALA 14 Cb 0.16 0.32 -0.17 0.00 0.00 0.00 0.00 17.79 18.09 2qou h ALA 14 CO 0.03 -0.92 0.05 -0.07 0.00 0.00 0.00 179.25 178.34 2qou h LEU 15 N -0.74 -0.42 -0.48 0.00 3.38 -1.22 0.24 115.31 116.07 2qou h LEU 15 Ca -0.07 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.26 2qou h LEU 15 Cb 0.58 0.45 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 2qou h LEU 15 CO 0.10 -0.32 -0.27 0.00 0.09 0.00 0.00 178.44 178.03 2qou h ALA 16 N 1.93 0.01 0.20 1.53 0.00 -1.16 -2.08 119.26 119.70 2qou h ALA 16 Ca 0.57 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 2qou h ALA 16 Cb 1.17 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2qou h ALA 16 CO -0.87 -0.63 -0.10 0.22 0.00 0.00 0.00 179.25 177.87 2qou h ASP 17 N -0.17 -0.23 -1.00 0.00 1.82 -1.05 0.37 116.42 116.16 2qou h ASP 17 Ca 0.21 -0.30 0.16 0.00 -0.39 0.00 0.00 57.03 56.72 2qou h ASP 17 Cb 0.51 0.06 -0.17 0.00 0.68 0.00 0.00 39.33 40.41 2qou h ASP 17 CO -0.58 0.28 -0.36 0.11 -1.61 0.00 0.00 179.24 177.08 2qou h LYS 18 N -0.86 -0.00 0.00 0.28 1.57 -1.21 -3.13 116.57 113.22 2qou h LYS 18 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2qou h LYS 18 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2qou h LYS 18 CO 0.05 -0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.59 2qou n TYR 19 N -5.50 0.00 -0.23 -1.35 0.53 -0.79 -4.79 117.16 105.03 2qou n TYR 19 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.00 2qou n TYR 19 Cb 0.42 0.00 0.04 0.00 -1.03 0.00 0.00 39.34 38.77 2qou n TYR 19 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 2qou n PHE 20 N 0.00 0.06 -0.18 -0.72 3.01 -0.89 0.34 117.46 119.08 2qou n PHE 20 Ca 0.00 0.73 0.13 0.00 1.01 0.00 0.00 57.45 59.32 2qou n PHE 20 Cb 0.00 -0.75 0.24 0.00 -0.01 0.00 0.00 39.48 38.96 2qou n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qou n ALA 21 N -3.71 0.42 0.00 4.37 0.00 0.12 -0.35 120.51 121.37 2qou n ALA 21 Ca 0.07 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2qou n ALA 21 Cb 0.25 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2qou n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qou n LYS 22 N -4.40 4.27 -0.01 0.00 5.02 -0.37 -4.79 118.16 117.88 2qou n LYS 22 Ca 0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 2qou n LYS 22 Cb 0.56 -0.55 -0.08 0.00 -0.02 0.00 0.00 35.03 34.94 2qou n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qou h ARG 23 N 0.00 -0.09 -1.57 1.97 2.47 0.29 -3.30 114.38 114.15 2qou h ARG 23 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2qou h ARG 23 Cb 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2qou h ARG 23 CO 0.00 0.46 0.00 0.00 0.56 0.00 0.00 179.97 180.99 2qou n ALA 24 N -2.60 2.61 0.02 0.04 0.00 -0.08 -3.31 120.51 117.18 2qou n ALA 24 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.44 2qou n ALA 24 Cb 0.29 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 2qou n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qou n GLU 25 N 1.03 0.64 -0.22 0.00 -0.58 -1.24 -4.25 120.64 116.02 2qou n GLU 25 Ca 0.00 -0.03 0.26 0.00 -0.42 0.00 0.00 57.16 56.97 2qou n GLU 25 Cb 0.35 -1.64 0.65 0.00 -0.57 0.00 0.00 31.44 30.23 2qou n GLU 25 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 2qou h LEU 26 N 0.00 0.15 0.00 -4.62 -0.00 -1.83 -3.12 115.31 105.89 2qou h LEU 26 Ca -0.09 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2qou h LEU 26 Cb 1.24 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2qou h LEU 26 CO 0.01 0.05 0.00 2.29 -0.00 0.00 0.00 178.44 180.79 2qou n LYS 27 N -4.36 0.00 0.00 0.17 2.85 -1.26 0.25 118.16 115.81 2qou n LYS 27 Ca 0.20 0.50 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 2qou n LYS 27 Cb 0.91 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 34.15 2qou n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qou n ALA 28 N -1.38 0.77 -0.52 0.58 0.00 -1.18 0.88 120.51 119.67 2qou n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qou n ALA 28 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2qou n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qou n ILE 29 N -1.35 0.00 -0.05 0.00 5.41 0.77 -4.51 119.36 119.62 2qou n ILE 29 Ca 0.00 0.24 -0.02 0.00 1.00 0.00 0.00 62.75 63.97 2qou n ILE 29 Cb 0.12 -1.03 -0.01 0.00 -0.71 0.00 0.00 39.64 38.01 2qou n ILE 29 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2qou h ILE 30 N 0.00 0.00 -0.92 1.39 2.04 0.34 -3.38 117.51 116.99 2qou h ILE 30 Ca 0.00 -0.87 0.25 0.00 1.00 0.00 0.00 64.86 65.25 2qou h ILE 30 Cb 0.00 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.94 2qou h ILE 30 CO 0.00 0.00 0.38 0.28 0.00 0.00 0.00 178.15 178.81 2qou h SER 31 N -0.87 0.25 -3.96 1.72 0.02 -1.35 0.67 113.55 110.04 2qou h SER 31 Ca 0.00 0.18 -0.54 0.00 -0.84 0.00 0.00 61.79 60.59 2qou h SER 31 Cb 0.27 0.19 0.11 0.00 0.14 0.00 0.00 62.40 63.11 2qou h SER 31 CO 0.00 -0.09 0.72 -0.62 -1.14 0.00 0.00 176.83 175.70 2qou s ASP 32 N -5.08 6.17 -0.16 3.07 3.68 0.25 -4.24 116.67 120.37 2qou s ASP 32 Ca -0.11 2.94 -0.30 0.00 2.13 0.00 0.00 52.55 57.20 2qou s ASP 32 Cb 0.27 -2.66 -0.08 0.00 -1.45 0.00 0.00 42.92 39.00 2qou s ASP 32 CO 0.78 -0.98 2.11 0.52 0.13 0.00 0.00 175.17 177.73 2qou n VAL 33 N 0.17 0.46 0.00 1.11 0.31 -1.26 0.09 118.33 119.21 2qou n VAL 33 Ca 0.03 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2qou n VAL 33 Cb 0.41 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 2qou n VAL 33 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qou n ASN 34 N 9.77 0.00 0.00 4.52 4.13 -1.26 -4.62 115.26 127.80 2qou n ASN 34 Ca 0.28 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2qou n ASN 34 Cb 0.39 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 2qou n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qou n ALA 35 N -2.48 1.81 -2.76 5.41 0.00 -1.26 -5.09 120.51 116.13 2qou n ALA 35 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 2qou n ALA 35 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2qou n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qou n ARG 40 N -0.19 -2.24 -4.31 0.00 3.00 0.23 -5.04 116.66 108.11 2qou n ARG 40 Ca 0.00 1.81 -0.20 0.00 -0.00 0.00 0.00 57.85 59.46 2qou n ARG 40 Cb 0.19 -2.13 -0.08 0.00 0.00 0.00 0.00 32.46 30.44 2qou n ARG 40 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 2qou s TRP 41 N -0.21 1.75 -0.16 -0.14 -0.00 -1.18 -4.98 118.94 114.03 2qou s TRP 41 Ca -0.08 -1.62 -0.03 0.00 -0.00 0.00 0.00 56.10 54.38 2qou s TRP 41 Cb 0.01 -0.77 -0.09 0.00 -0.00 0.00 0.00 33.47 32.62 2qou s TRP 41 CO 0.21 -0.80 -0.16 0.27 -0.00 0.00 0.00 176.95 176.46 2qou n ASN 42 N -1.51 2.15 0.30 5.86 6.94 -1.26 -4.52 115.26 123.23 2qou n ASN 42 Ca 0.06 0.03 0.16 0.00 -0.02 0.00 0.00 54.58 54.80 2qou n ASN 42 Cb 0.63 -0.33 0.79 0.00 -2.36 0.00 0.00 39.78 38.50 2qou n ASN 42 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qou h ALA 43 N -0.23 1.46 -0.41 -2.53 0.00 -1.99 0.25 119.26 115.82 2qou h ALA 43 Ca -0.37 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.66 2qou h ALA 43 Cb 1.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2qou h ALA 43 CO -0.13 -0.40 0.38 0.28 0.00 0.00 0.00 179.25 179.39 2qou h VAL 44 N 0.00 0.49 0.00 0.00 2.07 -1.97 0.63 116.25 117.47 2qou h VAL 44 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2qou h VAL 44 Cb 0.76 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2qou h VAL 44 CO -0.00 0.00 -1.36 -0.11 0.02 0.00 0.00 177.57 176.12 2qou n LEU 45 N -3.92 0.55 0.00 2.57 0.00 0.08 -4.00 117.00 112.27 2qou n LEU 45 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 56.01 55.88 2qou n LEU 45 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.96 2qou n LEU 45 CO 0.30 0.11 0.01 0.29 0.00 0.00 0.00 177.39 178.10 2qou n LYS 46 N -1.89 0.00 0.22 1.96 4.76 0.21 -4.18 118.16 119.24 2qou n LYS 46 Ca 0.01 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.63 2qou n LYS 46 Cb 0.44 -0.48 0.80 0.00 -1.84 0.00 0.00 35.03 33.96 2qou n LYS 46 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2qou h LEU 47 N 0.00 0.00 0.00 -0.35 4.07 -1.61 0.80 115.31 118.22 2qou h LEU 47 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qou h LEU 47 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2qou h LEU 47 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 2qou n GLN 48 N -3.35 0.29 -3.28 1.13 10.64 -1.26 -4.37 117.38 117.17 2qou n GLN 48 Ca 0.02 0.11 -0.47 0.00 -1.83 0.00 0.00 57.00 54.83 2qou n GLN 48 Cb 0.46 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.32 2qou n GLN 48 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2qou s THR 49 N -2.45 5.48 0.00 -0.39 2.01 0.27 -4.33 115.64 116.23 2qou s THR 49 Ca 0.17 -2.29 0.00 0.00 0.31 0.00 0.00 61.69 59.88 2qou s THR 49 Cb 0.11 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 68.12 2qou s THR 49 CO 0.23 -1.08 0.00 0.00 -0.69 0.00 0.00 174.62 173.08 2qou n LEU 50 N 4.38 0.00 -0.15 4.42 -0.00 -1.26 -5.00 117.00 119.40 2qou n LEU 50 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.02 2qou n LEU 50 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.88 2qou n LEU 50 CO 0.37 0.00 0.63 1.55 -0.00 0.00 0.00 177.39 179.94 2qou h PRO 51 N 0.00 0.98 0.00 1.47 0.13 -1.89 -3.45 132.00 129.23 2qou h PRO 51 Ca 0.00 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2qou h PRO 51 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2qou h PRO 51 CO 0.00 1.12 0.00 -2.13 -0.23 0.00 0.00 178.00 176.76 2qou n ARG 52 N -4.10 0.00 -0.34 0.86 3.00 -1.26 -1.76 116.66 113.06 2qou n ARG 52 Ca -0.01 0.00 0.30 0.00 -0.00 0.00 0.00 57.85 58.14 2qou n ARG 52 Cb 0.48 0.00 0.52 0.00 0.00 0.00 0.00 32.46 33.47 2qou n ARG 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2qou n ASP 53 N 4.65 0.21 -4.56 6.15 2.03 -1.26 -3.36 116.55 120.41 2qou n ASP 53 Ca 0.00 1.20 -0.38 0.00 0.52 0.00 0.00 54.79 56.13 2qou n ASP 53 Cb 0.00 -0.59 -0.03 0.00 -0.72 0.00 0.00 41.12 39.78 2qou n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2qou s SER 54 N -4.44 6.13 0.08 1.67 0.15 -0.72 -4.59 113.70 111.98 2qou s SER 54 Ca -0.06 -1.03 -0.20 0.00 0.70 0.00 0.00 55.95 55.36 2qou s SER 54 Cb 0.26 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 62.05 2qou s SER 54 CO 0.65 -1.84 0.47 -0.44 1.20 0.00 0.00 173.24 173.28 2qou s SER 55 N 5.47 -0.36 0.21 5.45 0.01 -1.22 -4.66 113.70 118.61 2qou s SER 55 Ca 0.49 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.76 2qou s SER 55 Cb -0.03 0.48 0.16 0.00 0.21 0.00 0.00 66.02 66.84 2qou s SER 55 CO -0.02 -0.76 1.51 1.55 0.41 0.00 0.00 173.24 175.92 2qou h PRO 56 N 2.66 0.33 -3.45 12.44 0.13 -1.94 -3.37 132.00 138.81 2qou h PRO 56 Ca -0.32 -0.24 -0.76 0.00 -0.87 0.00 0.00 66.00 63.81 2qou h PRO 56 Cb 1.23 0.04 -0.31 0.00 0.13 0.00 0.00 31.00 32.09 2qou h PRO 56 CO 0.43 0.86 0.22 -1.12 -0.23 0.00 0.00 178.00 178.17 2qou s SER 57 N -6.92 6.77 -0.12 1.44 0.01 -1.26 -4.66 113.70 108.95 2qou s SER 57 Ca -0.05 -3.68 0.05 0.00 1.31 0.00 0.00 55.95 53.58 2qou s SER 57 Cb 0.11 -2.08 0.15 0.00 0.21 0.00 0.00 66.02 64.41 2qou s SER 57 CO 0.82 -0.23 1.09 0.54 0.41 0.00 0.00 173.24 175.86 2qou n ARG 58 N 2.50 0.49 -3.70 12.44 1.74 -1.26 -5.11 116.66 123.76 2qou n ARG 58 Ca 0.23 -0.94 -0.13 0.00 -0.77 0.00 0.00 57.85 56.24 2qou n ARG 58 Cb 0.38 0.45 -0.13 0.00 -1.02 0.00 0.00 32.46 32.14 2qou n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qou s GLN 59 N 0.05 0.19 0.00 5.56 1.11 -1.26 -4.88 119.66 120.43 2qou s GLN 59 Ca 0.03 0.63 0.00 0.00 0.01 0.00 0.00 55.36 56.04 2qou s GLN 59 Cb 0.16 -0.08 0.00 0.00 -1.01 0.00 0.00 33.01 32.08 2qou s GLN 59 CO -0.05 -0.21 0.87 2.89 0.01 0.00 0.00 175.29 178.80 2qou n ARG 60 N 4.69 0.98 0.00 2.91 1.85 -1.26 -4.88 116.66 120.95 2qou n ARG 60 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 2qou n ARG 60 Cb 0.52 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.82 2qou n ARG 60 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2qou n ASN 61 N -0.38 0.00 -1.71 2.89 4.13 -1.26 -4.55 115.26 114.38 2qou n ASN 61 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2qou n ASN 61 Cb 0.06 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 2qou n ASN 61 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2qou n ARG 62 N 0.00 -4.75 -1.52 3.52 1.74 -1.26 -4.81 116.66 109.58 2qou n ARG 62 Ca 0.00 3.56 -0.38 0.00 -0.77 0.00 0.00 57.85 60.25 2qou n ARG 62 Cb 0.00 -4.08 0.04 0.00 -1.02 0.00 0.00 32.46 27.40 2qou n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qou h ARG 64 N 0.42 0.89 0.00 0.00 9.65 -1.85 -3.33 114.38 120.16 2qou h ARG 64 Ca -0.46 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.13 2qou h ARG 64 Cb 1.39 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 2qou h ARG 64 CO 0.49 0.93 -0.32 1.96 2.80 0.00 0.00 179.97 185.83 2qou h GLN 65 N 0.81 0.00 0.00 0.20 7.50 -1.89 -3.48 115.11 118.24 2qou h GLN 65 Ca 0.14 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.29 2qou h GLN 65 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 2qou h GLN 65 CO 0.04 0.00 0.00 0.25 -1.50 0.00 0.00 178.83 177.62 2qou n THR 66 N -4.42 0.00 -0.52 -0.54 -2.24 -1.25 -5.09 114.28 100.22 2qou n THR 66 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2qou n THR 66 Cb 0.17 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2qou n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qou n GLY 67 N 5.00 0.55 3.52 3.38 0.00 -1.26 -4.14 105.19 112.24 2qou n GLY 67 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2qou n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qou n ARG 68 N 0.00 0.45 0.00 1.61 0.63 -1.26 -3.04 116.66 115.04 2qou n ARG 68 Ca 0.00 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2qou n ARG 68 Cb 0.00 -2.36 0.00 0.00 0.45 0.00 0.00 32.46 30.55 2qou n ARG 68 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2qou n PRO 69 N 8.58 0.36 0.00 -0.14 -0.04 -1.26 -3.72 135.00 138.78 2qou n PRO 69 Ca 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2qou n PRO 69 Cb 0.26 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2qou n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2qou n HIS 70 N -0.33 0.00 -0.34 0.54 8.25 -1.26 -4.39 115.22 117.69 2qou n HIS 70 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2qou n HIS 70 Cb 0.02 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 2qou n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qou n GLY 71 N 3.12 2.32 3.37 -1.41 0.00 -1.26 -4.76 105.19 106.57 2qou n GLY 71 Ca 0.00 -0.39 -0.46 0.00 0.00 0.00 0.00 46.02 45.17 2qou n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qou s PHE 72 N 4.29 3.60 -0.11 1.61 2.19 -1.24 -0.17 117.98 128.14 2qou s PHE 72 Ca 0.18 -1.87 -0.27 0.00 0.33 0.00 0.00 56.93 55.30 2qou s PHE 72 Cb 0.05 -3.97 -0.02 0.00 -1.31 0.00 0.00 43.02 37.77 2qou s PHE 72 CO -0.01 -1.15 0.91 -0.51 1.83 0.00 0.00 175.22 176.28 2qou s LEU 73 N 0.86 4.24 0.03 6.12 1.43 -1.14 -4.92 118.68 125.30 2qou s LEU 73 Ca 0.24 1.37 -0.08 0.00 -1.03 0.00 0.00 54.13 54.63 2qou s LEU 73 Cb -0.08 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 2qou s LEU 73 CO -0.09 -0.38 1.13 0.03 0.23 0.00 0.00 176.35 177.28 2qou h ARG 74 N 7.12 -0.16 -0.99 1.70 2.47 -1.95 1.53 114.38 124.10 2qou h ARG 74 Ca -0.32 0.01 0.36 0.00 -1.26 0.00 0.00 59.98 58.77 2qou h ARG 74 Cb 1.15 0.04 -0.17 0.00 -1.65 0.00 0.00 29.97 29.34 2qou h ARG 74 CO 0.83 -0.10 0.47 -0.22 0.56 0.00 0.00 179.97 181.50 2qou h LYS 75 N -0.16 0.11 -0.00 0.04 1.63 -2.00 0.12 116.57 116.30 2qou h LYS 75 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2qou h LYS 75 Cb 0.18 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2qou h LYS 75 CO -0.09 0.08 -0.85 1.19 -3.45 0.00 0.00 179.45 176.33 2qou n PHE 76 N -5.22 0.00 -3.84 1.91 0.99 -1.02 -4.99 117.46 105.30 2qou n PHE 76 Ca 0.33 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.50 2qou n PHE 76 Cb 1.09 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 39.52 2qou n PHE 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qou n GLY 77 N 1.46 -0.44 3.49 1.37 0.00 0.52 -4.90 105.19 106.69 2qou n GLY 77 Ca 0.05 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2qou n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qou s LEU 78 N -6.53 1.95 0.01 0.99 1.02 -1.24 -3.02 118.68 111.85 2qou s LEU 78 Ca 0.55 -1.75 -0.12 0.00 0.02 0.00 0.00 54.13 52.83 2qou s LEU 78 Cb -0.32 0.06 -0.05 0.00 0.02 0.00 0.00 46.19 45.89 2qou s LEU 78 CO 0.68 -1.02 0.36 -0.94 0.02 0.00 0.00 176.35 175.46 2qou s SER 79 N -3.60 6.69 0.24 2.29 1.04 -1.22 -2.87 113.70 116.27 2qou s SER 79 Ca 0.25 0.83 -0.03 0.00 0.48 0.00 0.00 55.95 57.48 2qou s SER 79 Cb 0.01 -2.20 0.50 0.00 0.10 0.00 0.00 66.02 64.43 2qou s SER 79 CO 0.17 0.29 1.29 -2.11 0.98 0.00 0.00 173.24 173.86 2qou n ARG 80 N 1.54 -0.07 0.08 4.02 1.85 0.76 -0.90 116.66 123.94 2qou n ARG 80 Ca -0.13 1.26 -0.03 0.00 -1.00 0.00 0.00 57.85 57.95 2qou n ARG 80 Cb 0.53 -1.94 -0.01 0.00 -1.05 0.00 0.00 32.46 29.98 2qou n ARG 80 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2qou h ILE 81 N 0.00 0.00 -0.82 8.89 2.04 -1.94 -2.83 117.51 122.85 2qou h ILE 81 Ca 0.44 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.50 2qou h ILE 81 Cb 0.80 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.76 2qou h ILE 81 CO -0.81 0.00 0.22 0.11 0.00 0.00 0.00 178.15 177.67 2qou h LYS 82 N -0.20 0.25 -0.96 2.37 1.79 -1.73 0.55 116.57 118.63 2qou h LYS 82 Ca -0.02 -0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.69 2qou h LYS 82 Cb 0.15 -0.06 -0.13 0.00 -1.58 0.00 0.00 32.23 30.62 2qou h LYS 82 CO 0.03 0.16 0.51 0.28 -1.08 0.00 0.00 179.45 179.35 2qou h VAL 83 N 0.25 0.46 0.67 0.50 2.07 -0.98 -1.01 116.25 118.21 2qou h VAL 83 Ca 0.49 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 2qou h VAL 83 Cb 0.92 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2qou h VAL 83 CO -0.58 0.08 -0.32 -0.09 0.02 0.00 0.00 177.57 176.68 2qou h ARG 84 N 0.45 -0.87 -0.74 1.57 2.43 0.36 -0.74 114.38 116.85 2qou h ARG 84 Ca 0.63 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 60.02 2qou h ARG 84 Cb 1.26 0.20 -0.14 0.00 -0.42 0.00 0.00 29.97 30.87 2qou h ARG 84 CO -0.53 -0.58 -0.12 0.93 -1.51 0.00 0.00 179.97 178.16 2qou h GLU 85 N -1.00 0.03 -0.05 0.20 5.08 -1.06 -1.00 114.58 116.78 2qou h GLU 85 Ca -0.09 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2qou h GLU 85 Cb 0.69 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2qou h GLU 85 CO 0.15 0.02 0.02 0.00 -1.00 0.00 0.00 179.01 178.20 2qou h ALA 86 N 1.73 0.07 -0.21 3.43 0.00 -1.23 -2.31 119.26 120.72 2qou h ALA 86 Ca 0.37 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2qou h ALA 86 Cb 0.61 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2qou h ALA 86 CO -0.73 -0.34 0.35 0.00 0.00 0.00 0.00 179.25 178.53 2qou h ALA 87 N 0.83 1.75 0.07 0.00 0.00 0.16 -2.29 119.26 119.79 2qou h ALA 87 Ca 0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 2qou h ALA 87 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2qou h ALA 87 CO -0.00 -0.46 -1.70 -1.33 0.00 0.00 0.00 179.25 175.77 2qou n MET 88 N -3.42 0.67 0.13 0.00 2.00 -0.74 -3.98 117.12 111.78 2qou n MET 88 Ca 0.03 0.40 0.10 0.00 0.00 0.00 0.00 57.70 58.22 2qou n MET 88 Cb 0.46 -1.72 0.48 0.00 0.00 0.00 0.00 33.22 32.45 2qou n MET 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2qou n ARG 89 N -3.91 0.14 -0.58 0.03 1.74 -0.90 -4.83 116.66 108.35 2qou n ARG 89 Ca -0.33 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2qou n ARG 89 Cb 0.89 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 2qou n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qou n GLY 90 N -0.81 0.67 0.00 -0.13 0.00 -0.90 -4.94 105.19 99.08 2qou n GLY 90 Ca 0.00 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.83 2qou n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qou n GLU 91 N -2.58 0.24 -3.79 1.61 1.02 -1.07 -4.66 120.64 111.42 2qou n GLU 91 Ca 0.00 0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 2qou n GLU 91 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.79 2qou n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qou s ILE 92 N -2.75 4.12 0.68 -3.67 1.01 -1.25 -5.01 121.20 114.33 2qou s ILE 92 Ca 0.22 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.50 2qou s ILE 92 Cb 0.19 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.75 2qou s ILE 92 CO 0.48 0.36 1.08 -2.16 0.00 0.00 0.00 174.94 174.70 2qou s PRO 93 N 1.58 2.82 -0.49 2.79 0.04 -1.26 -3.88 135.00 136.61 2qou s PRO 93 Ca 0.06 1.18 -0.05 0.00 0.04 0.00 0.00 61.00 62.23 2qou s PRO 93 Cb -0.15 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.48 2qou s PRO 93 CO 0.02 -1.20 0.14 0.41 0.04 0.00 0.00 177.00 176.41 2qou n GLY 94 N -1.17 -0.48 2.72 0.56 0.00 -1.26 -4.89 105.19 100.68 2qou n GLY 94 Ca 0.09 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2qou n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qou s LEU 95 N -5.55 1.48 0.34 0.99 2.96 -1.25 -5.12 118.68 112.53 2qou s LEU 95 Ca 0.19 -1.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.02 2qou s LEU 95 Cb -0.11 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 2qou s LEU 95 CO 0.23 -0.35 0.17 -1.59 -1.32 0.00 0.00 176.35 173.50 2qou s LYS 96 N 1.79 1.72 0.11 1.98 -2.85 -1.26 -4.93 119.74 116.30 2qou s LYS 96 Ca 0.03 -2.01 -0.36 0.00 -1.00 0.00 0.00 55.97 52.63 2qou s LYS 96 Cb -0.17 -0.18 -0.15 0.00 -2.06 0.00 0.00 37.83 35.27 2qou s LYS 96 CO -0.16 -0.49 1.46 1.63 0.10 0.00 0.00 175.35 177.89 2qou n LYS 97 N -0.69 1.58 -3.05 1.78 4.76 -1.26 -4.92 118.16 116.37 2qou n LYS 97 Ca 0.00 0.57 -0.43 0.00 -2.87 0.00 0.00 58.31 55.58 2qou n LYS 97 Cb 0.64 -2.27 -0.06 0.00 -1.84 0.00 0.00 35.03 31.51 2qou n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qou s ALA 98 N 0.80 3.31 -0.55 7.82 0.00 -1.26 -4.95 121.76 126.93 2qou s ALA 98 Ca 0.83 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 51.52 2qou s ALA 98 Cb -0.84 -3.43 0.28 0.00 0.00 0.00 0.00 23.12 19.14 2qou s ALA 98 CO 0.44 -1.99 0.75 -1.13 0.00 0.00 0.00 175.76 173.83 2qou n SER 99 N 6.54 2.94 -0.74 0.00 3.41 -1.26 -5.35 113.62 119.16 2qou n SER 99 Ca -0.02 -3.31 0.13 0.00 -0.26 0.00 0.00 58.87 55.41 2qou n SER 99 Cb 0.47 -0.63 0.30 0.00 -0.26 0.00 0.00 64.21 64.08 2qou n SER 99 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21