#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan n MET 2 N 0.00 0.43 0.00 4.33 0.00 -1.26 -4.62 117.12 116.01 2qan n MET 2 Ca 0.00 -0.96 0.12 0.00 0.00 0.00 0.00 57.70 56.86 2qan n MET 2 Cb 0.00 -3.57 0.10 0.00 0.00 0.00 0.00 33.22 29.76 2qan n MET 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2qan n GLN 3 N 8.45 1.08 -3.32 2.12 6.02 -1.26 -4.70 117.38 125.77 2qan n GLN 3 Ca 0.46 -0.83 -0.11 0.00 -0.01 0.00 0.00 57.00 56.51 2qan n GLN 3 Cb 0.42 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 2qan n GLN 3 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qan s ASP 4 N -2.50 0.51 0.21 1.08 3.68 -1.26 -4.90 116.67 113.50 2qan s ASP 4 Ca 0.20 -0.90 -0.04 0.00 2.13 0.00 0.00 52.55 53.94 2qan s ASP 4 Cb 0.18 0.98 0.19 0.00 -1.45 0.00 0.00 42.92 42.82 2qan s ASP 4 CO 0.56 -0.30 1.62 1.55 0.13 0.00 0.00 175.17 178.74 2qan h PRO 5 N 7.61 0.75 -0.30 4.34 0.13 -1.99 -3.22 132.00 139.33 2qan h PRO 5 Ca -0.02 -0.31 0.06 0.00 -0.87 0.00 0.00 66.00 64.85 2qan h PRO 5 Cb 1.10 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 2qan h PRO 5 CO 0.22 0.92 -0.03 0.82 -0.23 0.00 0.00 178.00 179.70 2qan h ILE 6 N 0.65 0.75 -0.62 -3.56 1.08 -2.00 -2.18 117.51 111.62 2qan h ILE 6 Ca 0.09 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.63 2qan h ILE 6 Cb 0.76 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 35.13 2qan h ILE 6 CO 0.06 0.01 0.23 0.00 -0.69 0.00 0.00 178.15 177.76 2qan h ALA 7 N 1.28 0.80 -0.17 1.87 0.00 -1.96 -1.98 119.26 119.10 2qan h ALA 7 Ca 0.14 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2qan h ALA 7 Cb 0.21 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2qan h ALA 7 CO -0.27 -0.19 -0.21 0.22 0.00 0.00 0.00 179.25 178.80 2qan h ASP 8 N 0.41 -0.66 -0.32 0.00 -0.00 -1.45 0.12 116.42 114.53 2qan h ASP 8 Ca 0.31 0.12 0.07 0.00 -0.00 0.00 0.00 57.03 57.52 2qan h ASP 8 Cb 0.39 0.31 -0.06 0.00 -0.00 0.00 0.00 39.33 39.96 2qan h ASP 8 CO -0.31 -0.26 -0.10 -0.03 -0.00 0.00 0.00 179.24 178.54 2qan h MET 9 N -0.25 -0.03 0.51 0.28 4.05 -1.05 0.29 114.93 118.73 2qan h MET 9 Ca 0.11 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 2qan h MET 9 Cb 0.42 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2qan h MET 9 CO -0.31 -0.02 -0.32 -0.07 0.23 0.00 0.00 176.91 176.42 2qan h LEU 10 N -0.03 -0.80 -1.11 3.39 3.38 -0.76 -2.54 115.31 116.85 2qan h LEU 10 Ca 0.16 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.26 2qan h LEU 10 Cb 0.27 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2qan h LEU 10 CO -0.34 -0.50 0.61 0.71 0.09 0.00 0.00 178.44 179.01 2qan h THR 11 N -0.79 0.99 -0.88 0.22 1.35 -0.48 -1.15 112.91 112.17 2qan h THR 11 Ca -0.06 -0.34 0.08 0.00 -0.55 0.00 0.00 66.41 65.54 2qan h THR 11 Cb 0.65 -0.09 -0.06 0.00 -1.73 0.00 0.00 68.15 66.92 2qan h THR 11 CO 0.06 0.18 0.57 0.03 -0.25 0.00 0.00 175.52 176.11 2qan h ARG 12 N 0.99 0.91 0.31 4.72 2.47 -0.10 -0.31 114.38 123.38 2qan h ARG 12 Ca 0.44 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.09 2qan h ARG 12 Cb 0.35 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2qan h ARG 12 CO -0.19 0.60 -0.15 0.82 0.56 0.00 0.00 179.97 181.61 2qan h ILE 13 N 0.93 0.48 -0.78 2.04 2.04 -0.82 -1.92 117.51 119.48 2qan h ILE 13 Ca 0.39 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.50 2qan h ILE 13 Cb 0.31 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 2qan h ILE 13 CO -0.16 0.11 0.48 0.08 0.00 0.00 0.00 178.15 178.67 2qan h ARG 14 N -0.96 0.89 -0.82 2.37 0.11 -1.36 0.32 114.38 114.93 2qan h ARG 14 Ca -0.04 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 2qan h ARG 14 Cb 0.50 -0.20 -0.04 0.00 1.11 0.00 0.00 29.97 31.34 2qan h ARG 14 CO 0.07 0.59 0.38 -0.91 0.10 0.00 0.00 179.97 180.20 2qan h ASN 15 N 0.92 1.08 -0.00 0.08 2.35 -1.14 -2.41 115.58 116.46 2qan h ASN 15 Ca 0.32 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2qan h ASN 15 Cb 0.08 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 2qan h ASN 15 CO -0.14 0.92 -0.00 1.23 -1.65 0.00 0.00 177.43 177.79 2qan h GLY 16 N 1.17 0.01 -0.39 2.83 0.00 -0.43 -2.47 103.07 103.78 2qan h GLY 16 Ca 0.28 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.65 2qan h GLY 16 CO -0.03 0.00 -0.48 1.46 0.00 0.00 0.00 176.54 177.49 2qan h GLN 17 N -0.34 -0.30 0.00 4.80 1.08 -0.22 0.55 115.11 120.69 2qan h GLN 17 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2qan h GLN 17 Cb 0.35 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2qan h GLN 17 CO 0.00 -0.20 0.02 0.00 -0.95 0.00 0.00 178.83 177.70 2qan h ALA 18 N -0.20 1.02 -0.02 3.87 0.00 -1.49 0.17 119.26 122.62 2qan h ALA 18 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qan h ALA 18 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qan h ALA 18 CO -0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 179.25 178.70 2qan n ALA 19 N -2.02 2.55 -0.58 0.00 0.00 0.18 -4.91 120.51 115.73 2qan n ALA 19 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2qan n ALA 19 Cb 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2qan n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qan n ASN 20 N 0.45 0.00 -4.60 0.00 4.13 0.61 -4.90 115.26 110.95 2qan n ASN 20 Ca 0.18 0.00 -0.53 0.00 1.68 0.00 0.00 54.58 55.91 2qan n ASN 20 Cb 0.41 -1.80 -0.06 0.00 -1.54 0.00 0.00 39.78 36.79 2qan n ASN 20 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qan n LYS 21 N -2.00 1.08 -0.03 3.52 4.76 -1.03 -4.87 118.16 119.58 2qan n LYS 21 Ca 0.00 0.39 -0.09 0.00 -2.87 0.00 0.00 58.31 55.74 2qan n LYS 21 Cb 0.00 -2.03 -0.06 0.00 -1.84 0.00 0.00 35.03 31.10 2qan n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qan h ALA 22 N 4.70 -0.66 -2.48 7.82 0.00 -1.91 -3.44 119.26 123.29 2qan h ALA 22 Ca -0.48 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 53.92 2qan h ALA 22 Cb 1.34 0.88 -0.13 0.00 0.00 0.00 0.00 17.79 19.88 2qan h ALA 22 CO 0.79 -0.80 -0.51 0.00 0.00 0.00 0.00 179.25 178.73 2qan s ALA 23 N -4.84 2.16 0.11 0.00 0.00 -1.26 -2.97 121.76 114.95 2qan s ALA 23 Ca -0.09 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.12 2qan s ALA 23 Cb 0.04 1.24 -0.04 0.00 0.00 0.00 0.00 23.12 24.37 2qan s ALA 23 CO 0.36 -0.56 -0.09 0.54 0.00 0.00 0.00 175.76 176.02 2qan s VAL 24 N -3.42 0.90 0.12 0.00 0.11 0.11 -4.89 120.40 113.32 2qan s VAL 24 Ca 0.35 -1.81 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 2qan s VAL 24 Cb 0.03 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 2qan s VAL 24 CO 0.22 -0.70 0.01 0.42 -3.33 0.00 0.00 175.10 171.72 2qan s THR 25 N -2.98 0.35 0.00 5.04 -4.23 -1.26 -0.81 115.64 111.75 2qan s THR 25 Ca 0.09 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2qan s THR 25 Cb 0.01 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2qan s THR 25 CO -0.01 -0.64 0.00 1.15 -0.54 0.00 0.00 174.62 174.57 2qan n MET 26 N -0.08 0.00 -1.95 3.99 0.00 -1.24 -4.97 117.12 112.87 2qan n MET 26 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.19 2qan n MET 26 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.82 2qan n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2qan s PRO 27 N -2.00 4.05 1.09 3.17 0.04 -1.26 -1.33 135.00 138.77 2qan s PRO 27 Ca 0.00 2.15 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 2qan s PRO 27 Cb 0.00 -4.04 0.24 0.00 0.04 0.00 0.00 34.50 30.74 2qan s PRO 27 CO 0.00 -1.01 1.18 -1.54 0.04 0.00 0.00 177.00 175.67 2qan s SER 28 N 3.93 1.90 -0.29 6.66 1.04 -1.08 -4.91 113.70 120.95 2qan s SER 28 Ca 0.77 0.56 -0.28 0.00 0.48 0.00 0.00 55.95 57.48 2qan s SER 28 Cb -0.33 -0.77 0.19 0.00 0.10 0.00 0.00 66.02 65.20 2qan s SER 28 CO 0.32 -3.51 1.38 -0.94 0.98 0.00 0.00 173.24 171.46 2qan s SER 29 N -4.22 -0.05 0.08 7.02 1.04 -1.26 -4.91 113.70 111.40 2qan s SER 29 Ca 0.71 0.07 -0.15 0.00 0.48 0.00 0.00 55.95 57.06 2qan s SER 29 Cb -0.08 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2qan s SER 29 CO 0.55 -0.04 0.76 0.29 0.98 0.00 0.00 173.24 175.78 2qan n LYS 30 N 0.88 -0.21 0.02 4.02 5.02 -1.26 -0.26 118.16 126.36 2qan n LYS 30 Ca -0.04 0.75 -0.11 0.00 -2.02 0.00 0.00 58.31 56.89 2qan n LYS 30 Cb 0.58 -1.10 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 2qan n LYS 30 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2qan h LEU 31 N 0.00 0.00 -0.96 -0.35 5.85 -2.00 -2.47 115.31 115.38 2qan h LEU 31 Ca 0.08 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.01 2qan h LEU 31 Cb 0.20 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.13 2qan h LEU 31 CO -0.46 0.01 0.55 0.11 -0.34 0.00 0.00 178.44 178.31 2qan h LYS 32 N 0.03 0.61 0.46 1.25 1.57 -1.01 -1.42 116.57 118.05 2qan h LYS 32 Ca 0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2qan h LYS 32 Cb 0.02 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2qan h LYS 32 CO -0.03 0.40 -0.22 0.28 -0.57 0.00 0.00 179.45 179.31 2qan h VAL 33 N 0.63 0.54 -0.75 0.50 2.07 -0.89 -0.51 116.25 117.84 2qan h VAL 33 Ca 0.58 -0.18 0.16 0.00 0.82 0.00 0.00 66.70 68.09 2qan h VAL 33 Cb 0.99 0.63 -0.11 0.00 -1.52 0.00 0.00 31.29 31.28 2qan h VAL 33 CO -0.43 0.03 0.20 0.00 0.02 0.00 0.00 177.57 177.39 2qan h ALA 34 N -0.22 1.00 0.19 1.67 0.00 -0.88 0.41 119.26 121.43 2qan h ALA 34 Ca -0.06 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qan h ALA 34 Cb 0.52 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qan h ALA 34 CO 0.10 -0.33 -0.09 0.82 0.00 0.00 0.00 179.25 179.75 2qan h ILE 35 N 0.29 0.90 -0.84 0.00 2.04 -1.19 -2.23 117.51 116.48 2qan h ILE 35 Ca 0.43 -0.45 0.11 0.00 1.00 0.00 0.00 64.86 65.95 2qan h ILE 35 Cb 0.73 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 2qan h ILE 35 CO -0.51 0.10 0.54 0.00 0.00 0.00 0.00 178.15 178.29 2qan h ALA 36 N 0.29 1.75 0.36 1.87 0.00 0.02 -0.83 119.26 122.72 2qan h ALA 36 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2qan h ALA 36 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qan h ALA 36 CO 0.04 0.06 -0.17 -0.97 0.00 0.00 0.00 179.25 178.21 2qan h ASN 37 N 0.75 -0.41 -0.77 0.00 -0.73 -0.01 -1.93 115.58 112.48 2qan h ASN 37 Ca 0.40 -0.04 0.08 0.00 1.87 0.00 0.00 56.30 58.61 2qan h ASN 37 Cb 0.50 0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.15 2qan h ASN 37 CO -0.16 -0.23 0.51 0.58 -0.37 0.00 0.00 177.43 177.76 2qan h VAL 38 N -0.56 0.99 0.00 2.57 2.07 -0.77 0.14 116.25 120.68 2qan h VAL 38 Ca -0.05 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2qan h VAL 38 Cb 0.42 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2qan h VAL 38 CO 0.08 0.14 -0.15 -0.07 0.02 0.00 0.00 177.57 177.59 2qan h LEU 39 N 0.76 0.00 0.06 2.57 3.38 -0.77 -1.71 115.31 119.61 2qan h LEU 39 Ca 0.34 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.06 2qan h LEU 39 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2qan h LEU 39 CO -0.12 0.15 -1.36 0.50 0.09 0.00 0.00 178.44 177.70 2qan h LYS 40 N 0.00 0.12 -0.03 1.13 3.64 -0.12 0.91 116.57 122.22 2qan h LYS 40 Ca -0.00 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2qan h LYS 40 Cb 0.34 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2qan h LYS 40 CO 0.02 1.10 0.04 0.93 -2.27 0.00 0.00 179.45 179.27 2qan h GLU 41 N -0.59 0.00 -0.01 1.90 4.39 -0.75 -0.79 114.58 118.73 2qan h GLU 41 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2qan h GLU 41 Cb 1.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2qan h GLU 41 CO -0.06 0.00 -0.41 0.39 -1.16 0.00 0.00 179.01 177.77 2qan n GLU 42 N -3.75 0.98 -2.23 2.33 -0.58 -0.65 -4.99 120.64 111.75 2qan n GLU 42 Ca -0.02 -0.73 -0.01 0.00 -0.42 0.00 0.00 57.16 55.98 2qan n GLU 42 Cb 0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 2qan n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qan n GLY 43 N 1.39 0.61 0.01 0.62 0.00 -0.30 -4.98 105.19 102.54 2qan n GLY 43 Ca 0.10 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.60 2qan n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qan n PHE 44 N -1.67 0.00 -4.14 1.61 3.72 0.29 -5.00 117.46 112.27 2qan n PHE 44 Ca -0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.23 2qan n PHE 44 Cb 0.50 -0.20 -0.15 0.00 -0.94 0.00 0.00 39.48 38.69 2qan n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qan s ILE 45 N -2.41 0.40 0.10 4.37 -4.36 -1.06 -4.01 121.20 114.23 2qan s ILE 45 Ca -0.03 -0.19 -0.29 0.00 -0.26 0.00 0.00 60.65 59.89 2qan s ILE 45 Cb 0.04 -0.36 -0.11 0.00 1.25 0.00 0.00 42.46 43.28 2qan s ILE 45 CO 0.29 0.13 1.47 -0.33 0.24 0.00 0.00 174.94 176.74 2qan h GLU 46 N 6.24 -0.48 0.00 0.37 4.39 -1.69 -3.41 114.58 120.00 2qan h GLU 46 Ca -0.30 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2qan h GLU 46 Cb 1.18 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2qan h GLU 46 CO 0.50 -0.32 0.00 -3.47 -1.16 0.00 0.00 179.01 174.56 2qan n ASP 47 N -4.98 0.00 -3.64 1.42 2.03 -1.25 -5.01 116.55 105.11 2qan n ASP 47 Ca -0.05 -0.19 -0.06 0.00 0.52 0.00 0.00 54.79 55.01 2qan n ASP 47 Cb 0.32 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 2qan n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2qan s PHE 48 N -4.03 -0.28 0.22 -0.67 -0.71 -1.26 -2.54 117.98 108.71 2qan s PHE 48 Ca 0.00 0.68 0.03 0.00 -1.04 0.00 0.00 56.93 56.60 2qan s PHE 48 Cb 0.00 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.18 2qan s PHE 48 CO 0.00 -0.13 -0.00 0.21 -1.34 0.00 0.00 175.22 173.95 2qan s LYS 49 N 0.12 1.28 -0.36 1.99 2.47 0.96 -4.95 119.74 121.25 2qan s LYS 49 Ca 0.05 -1.64 0.01 0.00 -1.56 0.00 0.00 55.97 52.83 2qan s LYS 49 Cb -0.05 -0.52 0.11 0.00 -1.46 0.00 0.00 37.83 35.91 2qan s LYS 49 CO -0.11 -0.11 0.15 0.54 0.16 0.00 0.00 175.35 175.99 2qan s VAL 50 N -3.48 1.22 0.94 4.02 0.11 -1.26 0.19 120.40 122.13 2qan s VAL 50 Ca 0.27 -1.95 -0.15 0.00 -2.93 0.00 0.00 61.98 57.22 2qan s VAL 50 Cb 0.06 -1.89 0.19 0.00 -1.53 0.00 0.00 36.38 33.20 2qan s VAL 50 CO 0.08 -0.76 1.29 -0.70 -3.33 0.00 0.00 175.10 171.68 2qan s GLU 51 N 1.04 0.79 0.07 1.54 2.12 -1.24 -4.75 118.70 118.28 2qan s GLU 51 Ca 0.13 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2qan s GLU 51 Cb -0.20 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.31 2qan s GLU 51 CO -0.13 -2.30 0.00 0.41 -0.54 0.00 0.00 175.26 172.70 2qan n GLY 52 N -3.68 -2.81 0.71 -1.50 0.00 -1.26 -0.28 105.19 96.37 2qan n GLY 52 Ca 0.15 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.83 2qan n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qan n ASP 53 N -2.01 0.23 0.12 1.61 8.00 -1.26 -4.65 116.55 118.60 2qan n ASP 53 Ca -0.01 0.03 -0.01 0.00 0.71 0.00 0.00 54.79 55.52 2qan n ASP 53 Cb 0.07 -0.20 0.09 0.00 -0.02 0.00 0.00 41.12 41.06 2qan n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qan h THR 54 N -0.05 1.32 -3.61 -3.53 1.03 -2.04 -3.39 112.91 102.64 2qan h THR 54 Ca 0.00 -2.42 -0.65 0.00 -0.01 0.00 0.00 66.41 63.33 2qan h THR 54 Cb 0.05 2.36 -0.40 0.00 -1.07 0.00 0.00 68.15 69.09 2qan h THR 54 CO 0.00 0.66 -0.71 -0.54 -0.01 0.00 0.00 175.52 174.92 2qan s LYS 55 N -3.22 1.52 0.15 0.00 -0.14 -1.26 -5.10 119.74 111.69 2qan s LYS 55 Ca 0.01 -1.96 -0.31 0.00 -1.36 0.00 0.00 55.97 52.35 2qan s LYS 55 Cb 0.11 -3.16 -0.09 0.00 -1.68 0.00 0.00 37.83 33.00 2qan s LYS 55 CO 0.76 -0.97 1.45 -1.25 -0.76 0.00 0.00 175.35 174.59 2qan s PRO 56 N 0.75 4.28 0.19 -1.68 0.04 -1.26 -4.27 135.00 133.04 2qan s PRO 56 Ca 0.12 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.38 2qan s PRO 56 Cb -0.20 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.16 2qan s PRO 56 CO -0.07 -0.48 0.11 -1.91 0.04 0.00 0.00 177.00 174.68 2qan n GLU 57 N 3.69 1.30 -3.14 4.56 4.07 0.61 -2.62 120.64 129.11 2qan n GLU 57 Ca 0.11 -1.20 -0.03 0.00 -0.06 0.00 0.00 57.16 55.99 2qan n GLU 57 Cb 0.41 0.18 -0.02 0.00 -0.06 0.00 0.00 31.44 31.95 2qan n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2qan s LEU 58 N 0.00 -1.28 -1.09 4.31 0.20 -0.44 -3.72 118.68 116.66 2qan s LEU 58 Ca 0.08 -1.12 -0.24 0.00 0.69 0.00 0.00 54.13 53.54 2qan s LEU 58 Cb -0.01 1.73 -0.10 0.00 -0.43 0.00 0.00 46.19 47.38 2qan s LEU 58 CO 0.05 -0.16 1.99 -1.61 -0.29 0.00 0.00 176.35 176.33 2qan s GLU 59 N 1.56 2.26 -0.43 1.98 2.02 0.51 -3.73 118.70 122.88 2qan s GLU 59 Ca 0.19 -0.79 -0.20 0.00 0.02 0.00 0.00 54.97 54.19 2qan s GLU 59 Cb -0.04 -5.14 0.02 0.00 0.10 0.00 0.00 34.13 29.06 2qan s GLU 59 CO -0.06 -4.12 0.63 -1.17 0.02 0.00 0.00 175.26 170.56 2qan s LEU 60 N 11.95 4.48 -0.07 1.80 2.96 0.01 -0.03 118.68 139.78 2qan s LEU 60 Ca 0.72 -0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 54.10 2qan s LEU 60 Cb -0.03 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 2qan s LEU 60 CO 0.11 -0.74 0.72 0.42 -1.32 0.00 0.00 176.35 175.53 2qan s THR 61 N 2.77 5.03 0.56 3.68 -4.23 -1.05 0.06 115.64 122.46 2qan s THR 61 Ca 0.22 1.48 -0.09 0.00 -1.18 0.00 0.00 61.69 62.13 2qan s THR 61 Cb -0.14 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.60 2qan s THR 61 CO 0.18 0.23 0.93 -0.76 -0.54 0.00 0.00 174.62 174.66 2qan s LEU 62 N 0.92 3.39 -0.03 4.79 1.02 -1.16 -2.80 118.68 124.80 2qan s LEU 62 Ca 0.38 1.20 0.06 0.00 0.02 0.00 0.00 54.13 55.78 2qan s LEU 62 Cb -0.18 -4.20 -0.01 0.00 0.02 0.00 0.00 46.19 41.82 2qan s LEU 62 CO 0.18 -0.77 -0.20 -0.75 0.02 0.00 0.00 176.35 174.83 2qan s LYS 63 N -5.00 1.90 -0.11 1.70 2.20 -1.26 -4.22 119.74 114.95 2qan s LYS 63 Ca 0.52 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 2qan s LYS 63 Cb -0.11 -1.71 0.03 0.00 -1.51 0.00 0.00 37.83 34.53 2qan s LYS 63 CO 0.50 0.36 -0.04 0.71 -0.36 0.00 0.00 175.35 176.52 2qan s TYR 64 N -0.23 1.23 0.00 4.03 1.51 -1.26 -2.47 117.35 120.16 2qan s TYR 64 Ca 0.01 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 2qan s TYR 64 Cb -0.10 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 2qan s TYR 64 CO 0.01 -0.48 0.00 0.34 -1.11 0.00 0.00 175.55 174.31 2qan n PHE 65 N 5.00 0.00 -0.03 2.71 7.35 -1.14 -4.90 117.46 126.45 2qan n PHE 65 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 2qan n PHE 65 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 2qan n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qan n GLN 66 N 0.00 3.71 0.00 -4.13 6.02 -1.26 -4.76 117.38 116.96 2qan n GLN 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qan n GLN 66 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2qan n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qan n GLY 67 N 5.00 1.02 3.34 1.08 0.00 -1.26 -4.70 105.19 109.67 2qan n GLY 67 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2qan n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qan s LYS 68 N -0.54 1.74 0.12 1.61 2.47 -1.26 -5.17 119.74 118.71 2qan s LYS 68 Ca 0.00 -2.02 0.02 0.00 -1.56 0.00 0.00 55.97 52.41 2qan s LYS 68 Cb 0.00 0.06 -0.04 0.00 -1.46 0.00 0.00 37.83 36.39 2qan s LYS 68 CO 0.00 -0.57 0.24 0.00 0.16 0.00 0.00 175.35 175.18 2qan s ALA 69 N -3.46 3.92 -0.02 3.13 0.00 -1.26 -2.88 121.76 121.18 2qan s ALA 69 Ca 0.36 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.06 2qan s ALA 69 Cb 0.03 -1.73 -0.20 0.00 0.00 0.00 0.00 23.12 21.22 2qan s ALA 69 CO 0.22 0.62 1.25 0.28 0.00 0.00 0.00 175.76 178.13 2qan h VAL 70 N 1.84 1.34 -0.79 0.00 2.07 -1.82 -3.39 116.25 115.50 2qan h VAL 70 Ca -0.47 -1.13 -0.44 0.00 0.82 0.00 0.00 66.70 65.48 2qan h VAL 70 Cb 1.18 2.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.98 2qan h VAL 70 CO 0.70 0.29 1.23 -0.69 0.02 0.00 0.00 177.57 179.12 2qan s VAL 71 N -4.22 3.70 -0.60 2.57 1.01 -1.26 -4.73 120.40 116.87 2qan s VAL 71 Ca -0.16 -0.83 0.26 0.00 0.00 0.00 0.00 61.98 61.25 2qan s VAL 71 Cb 0.02 -4.59 0.30 0.00 0.00 0.00 0.00 36.38 32.10 2qan s VAL 71 CO 0.66 -1.38 1.75 1.05 0.00 0.00 0.00 175.10 177.17 2qan h GLU 72 N 10.00 0.00 -1.50 2.72 9.09 -1.77 -3.45 114.58 129.67 2qan h GLU 72 Ca 0.20 0.00 0.12 0.00 0.05 0.00 0.00 59.36 59.73 2qan h GLU 72 Cb 0.97 0.00 -0.26 0.00 -1.65 0.00 0.00 28.75 27.81 2qan h GLU 72 CO 1.31 0.00 0.33 0.45 0.05 0.00 0.00 179.01 181.15 2qan s SER 73 N -4.83 -0.55 -0.25 3.06 0.15 -1.26 -5.09 113.70 104.92 2qan s SER 73 Ca 0.08 0.86 -0.02 0.00 0.70 0.00 0.00 55.95 57.58 2qan s SER 73 Cb 0.10 1.30 0.14 0.00 -1.71 0.00 0.00 66.02 65.85 2qan s SER 73 CO 0.57 -0.13 0.40 -0.51 1.20 0.00 0.00 173.24 174.77 2qan s ILE 74 N 1.53 -0.64 0.12 6.45 2.07 -1.26 -2.27 121.20 127.21 2qan s ILE 74 Ca -0.08 -0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.15 2qan s ILE 74 Cb -0.04 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 2qan s ILE 74 CO -0.16 -0.14 -0.20 -1.10 -1.91 0.00 0.00 174.94 171.44 2qan s GLN 75 N 2.57 1.18 0.55 3.50 1.11 -1.26 -4.85 119.66 122.47 2qan s GLN 75 Ca 0.13 -1.25 -0.17 0.00 0.01 0.00 0.00 55.36 54.09 2qan s GLN 75 Cb -0.15 -1.39 -0.06 0.00 -1.01 0.00 0.00 33.01 30.41 2qan s GLN 75 CO -0.18 0.31 1.03 0.50 0.01 0.00 0.00 175.29 176.96 2qan s ARG 76 N -2.19 3.59 0.00 2.91 3.52 -1.26 -1.50 118.95 124.02 2qan s ARG 76 Ca 0.10 1.14 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 2qan s ARG 76 Cb -0.09 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 2qan s ARG 76 CO 0.05 -0.59 0.00 0.28 -0.81 0.00 0.00 175.30 174.24 2qan n VAL 77 N -1.76 0.00 -1.94 7.11 0.31 -1.11 -4.84 118.33 116.10 2qan n VAL 77 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.00 2qan n VAL 77 Cb 0.53 -0.60 -0.01 0.00 -0.91 0.00 0.00 33.84 32.85 2qan n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qan n SER 78 N -1.71 3.95 -4.92 4.52 2.88 -1.26 -4.90 113.62 112.17 2qan n SER 78 Ca 0.00 -2.83 -0.27 0.00 -1.33 0.00 0.00 58.87 54.44 2qan n SER 78 Cb 0.00 -1.62 0.07 0.00 -0.75 0.00 0.00 64.21 61.91 2qan n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qan s ARG 79 N 4.02 2.28 1.19 -1.46 1.70 -1.24 -4.76 118.95 120.67 2qan s ARG 79 Ca 0.52 -0.14 -0.17 0.00 -0.47 0.00 0.00 55.73 55.48 2qan s ARG 79 Cb 0.10 -2.14 0.28 0.00 -0.57 0.00 0.00 34.95 32.62 2qan s ARG 79 CO 0.01 -1.22 1.05 -1.25 -1.08 0.00 0.00 175.30 172.81 2qan s PRO 80 N -5.27 -1.13 -0.31 3.89 0.04 -1.26 -3.14 135.00 127.81 2qan s PRO 80 Ca 0.60 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2qan s PRO 80 Cb -0.11 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2qan s PRO 80 CO 0.46 -3.73 0.00 0.41 0.04 0.00 0.00 177.00 174.18 2qan n GLY 81 N -0.18 0.28 0.00 0.56 0.00 -1.26 -4.61 105.19 99.99 2qan n GLY 81 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2qan n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qan n LEU 82 N -0.38 0.00 -4.82 0.99 -0.00 -1.19 -5.17 117.00 106.44 2qan n LEU 82 Ca -0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.67 2qan n LEU 82 Cb 0.41 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.86 2qan n LEU 82 CO 0.05 0.00 0.71 -0.13 -0.00 0.00 0.00 177.39 178.02 2qan s ARG 83 N 0.00 3.11 -0.04 1.96 1.81 -1.20 -3.61 118.95 120.97 2qan s ARG 83 Ca 0.00 1.00 -0.02 0.00 -1.72 0.00 0.00 55.73 54.99 2qan s ARG 83 Cb 0.00 -2.01 0.03 0.00 -0.45 0.00 0.00 34.95 32.52 2qan s ARG 83 CO 0.00 -0.97 0.05 0.42 -0.68 0.00 0.00 175.30 174.13 2qan s ILE 84 N -2.90 -0.06 -0.06 1.52 1.01 -1.26 -4.97 121.20 114.48 2qan s ILE 84 Ca 0.59 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.68 2qan s ILE 84 Cb -0.14 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.14 2qan s ILE 84 CO 0.50 0.19 -0.19 -0.31 0.00 0.00 0.00 174.94 175.13 2qan s TYR 85 N 2.15 1.91 0.47 3.97 1.51 -1.26 -3.06 117.35 123.03 2qan s TYR 85 Ca 0.05 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 2qan s TYR 85 Cb -0.12 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 2qan s TYR 85 CO -0.03 -0.23 0.10 0.15 -1.11 0.00 0.00 175.55 174.42 2qan s LYS 86 N 0.15 2.15 0.30 -0.62 -0.14 -0.74 -5.03 119.74 115.80 2qan s LYS 86 Ca -0.08 -2.15 0.09 0.00 -1.36 0.00 0.00 55.97 52.47 2qan s LYS 86 Cb -0.13 -1.73 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 2qan s LYS 86 CO 0.04 -0.26 0.08 1.03 -0.76 0.00 0.00 175.35 175.48 2qan s ARG 87 N -3.89 2.40 0.33 1.68 0.52 -1.26 -3.38 118.95 115.35 2qan s ARG 87 Ca 0.25 -1.43 0.11 0.00 -0.52 0.00 0.00 55.73 54.14 2qan s ARG 87 Cb 0.04 -2.21 1.01 0.00 0.52 0.00 0.00 34.95 34.31 2qan s ARG 87 CO 0.14 0.26 1.63 1.57 0.02 0.00 0.00 175.30 178.91 2qan h LYS 88 N 1.70 0.17 -1.63 3.54 2.10 -1.88 0.81 116.57 121.38 2qan h LYS 88 Ca -0.44 -0.01 -0.72 0.00 -2.00 0.00 0.00 60.65 57.47 2qan h LYS 88 Cb 1.25 -0.04 -0.27 0.00 -0.90 0.00 0.00 32.23 32.27 2qan h LYS 88 CO 0.62 0.11 0.97 -0.40 -2.00 0.00 0.00 179.45 178.75 2qan n ASP 89 N -5.20 7.56 0.00 7.07 3.85 -1.26 -4.17 116.55 124.40 2qan n ASP 89 Ca 0.30 -3.79 0.00 0.00 -0.71 0.00 0.00 54.79 50.58 2qan n ASP 89 Cb 0.95 -1.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.68 2qan n ASP 89 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2qan n GLU 90 N -0.62 0.26 -1.53 0.11 4.07 0.28 -5.11 120.64 118.09 2qan n GLU 90 Ca 0.57 0.00 -0.60 0.00 -0.06 0.00 0.00 57.16 57.07 2qan n GLU 90 Cb 0.40 -0.32 -0.09 0.00 -0.06 0.00 0.00 31.44 31.38 2qan n GLU 90 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2qan n LEU 91 N -0.47 0.59 -4.76 4.31 4.77 -0.90 -4.82 117.00 115.73 2qan n LEU 91 Ca 0.00 1.10 -0.36 0.00 -0.03 0.00 0.00 56.01 56.72 2qan n LEU 91 Cb 0.00 -0.84 0.02 0.00 -2.33 0.00 0.00 43.42 40.26 2qan n LEU 91 CO 0.00 -1.27 0.84 -2.16 -1.33 0.00 0.00 177.39 173.47 2qan s PRO 92 N 1.48 3.25 -0.65 3.23 0.04 -1.26 -4.99 135.00 136.09 2qan s PRO 92 Ca 0.92 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 63.66 2qan s PRO 92 Cb -1.31 -2.07 0.17 0.00 0.04 0.00 0.00 34.50 31.33 2qan s PRO 92 CO 0.66 -0.98 0.54 0.21 0.04 0.00 0.00 177.00 177.47 2qan s LYS 93 N -3.15 2.97 0.21 4.56 2.20 -1.26 -4.82 119.74 120.44 2qan s LYS 93 Ca 0.73 -2.20 -0.32 0.00 -0.36 0.00 0.00 55.97 53.81 2qan s LYS 93 Cb -0.29 -4.11 -0.13 0.00 -1.51 0.00 0.00 37.83 31.80 2qan s LYS 93 CO 0.33 -1.24 1.64 0.28 -0.36 0.00 0.00 175.35 176.00 2qan n VAL 94 N 4.25 0.20 -4.22 4.02 0.31 -1.26 -3.01 118.33 118.62 2qan n VAL 94 Ca 0.03 -0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 64.01 2qan n VAL 94 Cb 0.42 -1.82 -0.08 0.00 -0.91 0.00 0.00 33.84 31.46 2qan n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qan n MET 95 N 3.44 -1.53 -0.73 5.55 0.00 -1.26 0.01 117.12 122.60 2qan n MET 95 Ca 0.15 0.17 -0.01 0.00 -0.00 0.00 0.00 57.70 58.01 2qan n MET 95 Cb 0.33 -3.80 -0.01 0.00 0.00 0.00 0.00 33.22 29.74 2qan n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qan n ALA 96 N -4.55 -0.02 0.00 -5.12 0.00 -1.17 -0.86 120.51 108.79 2qan n ALA 96 Ca -0.32 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2qan n ALA 96 Cb 0.69 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2qan n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qan n GLY 97 N 0.56 0.64 0.00 0.00 0.00 0.10 -4.93 105.19 101.56 2qan n GLY 97 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2qan n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qan n LEU 98 N 0.00 0.00 0.00 0.99 4.77 -0.04 -4.73 117.00 117.99 2qan n LEU 98 Ca 0.00 0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.93 2qan n LEU 98 Cb 0.00 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2qan n LEU 98 CO 0.00 -0.13 -0.20 0.61 -1.33 0.00 0.00 177.39 176.34 2qan n GLY 99 N -0.10 3.57 3.15 -0.72 0.00 -0.94 -4.92 105.19 105.22 2qan n GLY 99 Ca 0.07 -2.31 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 2qan n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qan s ILE 100 N -2.71 0.74 -0.28 -0.61 -5.25 0.15 -4.58 121.20 108.65 2qan s ILE 100 Ca 0.04 -1.67 -0.01 0.00 -0.99 0.00 0.00 60.65 58.02 2qan s ILE 100 Cb 0.00 -1.36 0.09 0.00 2.95 0.00 0.00 42.46 44.14 2qan s ILE 100 CO 0.03 -0.68 0.07 0.00 -1.79 0.00 0.00 174.94 172.56 2qan s ALA 101 N -2.80 1.50 -0.12 2.27 0.00 -1.26 -1.74 121.76 119.61 2qan s ALA 101 Ca 0.05 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2qan s ALA 101 Cb -0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 2qan s ALA 101 CO -0.02 -1.50 1.75 0.08 0.00 0.00 0.00 175.76 176.07 2qan s VAL 102 N 1.63 3.47 -0.10 0.00 1.01 -1.09 -1.09 120.40 124.22 2qan s VAL 102 Ca 0.06 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2qan s VAL 102 Cb -0.17 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2qan s VAL 102 CO -0.19 -0.13 -0.12 -0.69 0.00 0.00 0.00 175.10 173.97 2qan s VAL 103 N 5.00 1.28 -0.33 2.92 1.01 -0.79 -0.46 120.40 129.02 2qan s VAL 103 Ca 0.78 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 2qan s VAL 103 Cb -0.32 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2qan s VAL 103 CO 0.32 0.40 1.21 -0.55 0.00 0.00 0.00 175.10 176.48 2qan s SER 104 N 1.18 6.75 0.37 3.32 0.15 0.11 -2.84 113.70 122.74 2qan s SER 104 Ca -0.04 1.05 0.08 0.00 0.70 0.00 0.00 55.95 57.74 2qan s SER 104 Cb -0.14 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2qan s SER 104 CO -0.03 -1.04 0.32 0.42 1.20 0.00 0.00 173.24 174.10 2qan s THR 105 N 4.17 3.12 -1.58 6.45 -4.23 0.18 -0.65 115.64 123.10 2qan s THR 105 Ca 0.52 -1.38 0.09 0.00 -1.18 0.00 0.00 61.69 59.74 2qan s THR 105 Cb -0.14 -3.09 0.19 0.00 1.34 0.00 0.00 72.50 70.80 2qan s THR 105 CO 0.22 -0.10 1.14 -0.24 -0.54 0.00 0.00 174.62 175.10 2qan n SER 106 N -1.43 0.00 -0.01 3.99 2.88 -1.26 -0.88 113.62 116.91 2qan n SER 106 Ca 0.00 0.04 0.06 0.00 -1.33 0.00 0.00 58.87 57.64 2qan n SER 106 Cb 0.61 -0.21 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 2qan n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qan n LYS 107 N -1.21 2.97 0.00 -1.46 4.76 -1.26 -5.10 118.16 116.86 2qan n LYS 107 Ca 0.05 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2qan n LYS 107 Cb 0.06 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 2qan n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qan n GLY 108 N 1.28 2.32 3.46 0.72 0.00 -0.06 -5.02 105.19 107.88 2qan n GLY 108 Ca 0.02 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2qan n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qan s VAL 109 N -1.59 4.38 0.05 1.61 1.01 -1.26 -0.65 120.40 123.95 2qan s VAL 109 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2qan s VAL 109 Cb 0.00 -4.72 0.00 0.00 0.00 0.00 0.00 36.38 31.66 2qan s VAL 109 CO 0.00 -1.50 0.02 1.15 0.00 0.00 0.00 175.10 174.78 2qan n MET 110 N 7.53 1.58 -3.51 2.72 3.85 -1.13 -4.84 117.12 123.33 2qan n MET 110 Ca 0.04 -0.31 -0.25 0.00 -1.00 0.00 0.00 57.70 56.18 2qan n MET 110 Cb 0.46 0.05 -0.02 0.00 -1.05 0.00 0.00 33.22 32.67 2qan n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qan s THR 111 N -0.54 5.13 0.18 3.17 -4.23 -1.26 -1.88 115.64 116.22 2qan s THR 111 Ca 0.02 -0.44 -0.19 0.00 -1.18 0.00 0.00 61.69 59.90 2qan s THR 111 Cb -0.00 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 70.15 2qan s THR 111 CO 0.01 -0.42 1.62 -2.24 -0.54 0.00 0.00 174.62 173.05 2qan h ASP 112 N 1.17 -0.79 -0.15 3.99 2.03 -1.46 -1.91 116.42 119.31 2qan h ASP 112 Ca -0.49 0.18 0.02 0.00 -0.73 0.00 0.00 57.03 56.01 2qan h ASP 112 Cb 1.21 0.42 -0.04 0.00 -0.83 0.00 0.00 39.33 40.09 2qan h ASP 112 CO 0.63 -0.25 -0.34 -0.09 -1.03 0.00 0.00 179.24 178.16 2qan h ARG 113 N -0.13 -0.30 -0.39 4.15 2.43 -1.93 0.56 114.38 118.77 2qan h ARG 113 Ca 0.22 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.49 2qan h ARG 113 Cb 0.47 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.00 2qan h ARG 113 CO -0.55 -0.20 -0.28 0.00 -1.51 0.00 0.00 179.97 177.42 2qan h ALA 114 N -0.65 -0.09 -0.26 2.80 0.00 -1.89 -1.11 119.26 118.05 2qan h ALA 114 Ca 0.03 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2qan h ALA 114 Cb 0.40 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2qan h ALA 114 CO -0.31 -0.67 -0.08 0.00 0.00 0.00 0.00 179.25 178.19 2qan h ALA 115 N 0.88 0.15 -0.86 0.00 0.00 -0.99 0.22 119.26 118.67 2qan h ALA 115 Ca 0.18 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.30 2qan h ALA 115 Cb 0.51 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2qan h ALA 115 CO -0.52 -0.48 0.55 -0.09 0.00 0.00 0.00 179.25 178.71 2qan h ARG 116 N -0.02 0.77 -0.03 0.00 2.43 -0.12 -1.69 114.38 115.71 2qan h ARG 116 Ca 0.13 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.06 2qan h ARG 116 Cb 0.22 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2qan h ARG 116 CO -0.28 0.51 -0.74 1.96 -1.51 0.00 0.00 179.97 179.90 2qan h GLN 117 N 0.79 0.55 0.00 0.20 4.20 -0.10 -3.02 115.11 117.72 2qan h GLN 117 Ca 0.40 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2qan h GLN 117 Cb 0.49 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2qan h GLN 117 CO -0.17 1.18 0.00 0.00 -0.67 0.00 0.00 178.83 179.17 2qan n ALA 118 N -2.60 1.27 -1.78 3.87 0.00 0.68 -4.83 120.51 117.13 2qan n ALA 118 Ca -0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 2qan n ALA 118 Cb 0.73 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 2qan n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qan n GLY 119 N -0.88 0.41 3.18 0.00 0.00 -0.70 -5.03 105.19 102.16 2qan n GLY 119 Ca 0.01 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 2qan n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qan s LEU 120 N -1.90 2.18 0.51 0.99 2.34 -1.01 -4.84 118.68 116.95 2qan s LEU 120 Ca 0.00 -0.49 0.08 0.00 0.06 0.00 0.00 54.13 53.78 2qan s LEU 120 Cb 0.00 -0.72 0.04 0.00 -0.56 0.00 0.00 46.19 44.95 2qan s LEU 120 CO 0.00 0.07 0.56 -0.83 -1.06 0.00 0.00 176.35 175.09 2qan s GLY 121 N -1.18 2.04 0.00 -3.48 0.00 -1.26 -4.30 107.32 99.13 2qan s GLY 121 Ca 0.03 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.99 2qan s GLY 121 CO 0.02 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 171.98 2qan n GLY 122 N -1.90 2.12 3.51 0.20 0.00 -1.22 -4.34 105.19 103.55 2qan n GLY 122 Ca 0.07 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2qan n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qan s GLU 123 N 1.60 3.76 1.16 1.61 2.12 0.17 -1.80 118.70 127.32 2qan s GLU 123 Ca 0.00 -0.44 -0.13 0.00 0.36 0.00 0.00 54.97 54.77 2qan s GLU 123 Cb 0.00 -3.30 0.28 0.00 0.26 0.00 0.00 34.13 31.37 2qan s GLU 123 CO 0.00 -0.05 1.03 0.42 -0.54 0.00 0.00 175.26 176.12 2qan s ILE 124 N 1.26 2.01 0.00 -3.70 1.01 -1.17 0.10 121.20 120.70 2qan s ILE 124 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2qan s ILE 124 Cb -0.15 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2qan s ILE 124 CO 0.04 -0.01 0.00 -0.38 0.00 0.00 0.00 174.94 174.59 2qan n ILE 125 N -4.93 0.00 -3.60 2.92 5.41 0.39 -4.21 119.36 115.33 2qan n ILE 125 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.78 2qan n ILE 125 Cb 0.54 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.46 2qan n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qan n TYR 127 N -0.31 3.59 -2.25 0.00 4.01 -0.56 -2.66 117.16 118.97 2qan n TYR 127 Ca -0.04 -4.19 -0.43 0.00 -0.16 0.00 0.00 57.90 53.08 2qan n TYR 127 Cb 0.61 -0.58 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 2qan n TYR 127 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qan s VAL 128 N -2.28 3.96 -0.23 -0.72 1.01 -0.71 -4.23 120.40 117.20 2qan s VAL 128 Ca 0.37 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.56 2qan s VAL 128 Cb 0.11 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.73 2qan s VAL 128 CO -0.04 -0.09 0.56 0.00 0.00 0.00 0.00 175.10 175.52