#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qfn h PHE 2 N 0.00 0.17 -0.58 1.61 3.57 -1.98 0.15 116.94 119.89 2qfn h PHE 2 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2qfn h PHE 2 Cb 0.00 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2qfn h PHE 2 CO 0.00 0.07 0.33 -0.22 -2.23 0.00 0.00 178.31 176.26 2qfn h LYS 3 N 0.23 0.80 -0.82 1.11 1.63 -2.00 -1.80 116.57 115.71 2qfn h LYS 3 Ca 0.15 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2qfn h LYS 3 Cb 0.14 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 2qfn h LYS 3 CO -0.17 0.59 0.46 0.37 -3.45 0.00 0.00 179.45 177.25 2qfn h GLN 4 N 0.78 1.14 -0.99 1.90 5.75 -1.89 -2.88 115.11 118.92 2qfn h GLN 4 Ca 0.21 -0.13 0.09 0.00 -0.15 0.00 0.00 58.65 58.67 2qfn h GLN 4 Cb 0.01 -0.23 -0.08 0.00 1.07 0.00 0.00 27.48 28.26 2qfn h GLN 4 CO -0.04 0.83 0.63 -0.44 -2.65 0.00 0.00 178.83 177.17 2qfn h ASP 5 N 1.14 0.96 -0.54 -0.69 3.45 0.11 0.03 116.42 120.89 2qfn h ASP 5 Ca 0.29 0.03 0.08 0.00 0.43 0.00 0.00 57.03 57.86 2qfn h ASP 5 Cb 0.02 -0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 38.55 2qfn h ASP 5 CO -0.05 0.56 0.18 0.40 -1.57 0.00 0.00 179.24 178.76 2qfn h ILE 6 N 1.06 0.78 -0.52 0.35 2.04 -1.19 -0.09 117.51 119.94 2qfn h ILE 6 Ca 0.46 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 66.16 2qfn h ILE 6 Cb 0.34 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2qfn h ILE 6 CO -0.22 0.06 0.16 0.00 0.00 0.00 0.00 178.15 178.16 2qfn h ALA 7 N 1.38 0.69 0.01 1.87 0.00 -1.02 -0.28 119.26 121.90 2qfn h ALA 7 Ca 0.27 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qfn h ALA 7 Cb 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qfn h ALA 7 CO -0.29 0.35 -0.08 1.15 0.00 0.00 0.00 179.25 180.38 2qfn h THR 8 N 0.72 0.80 -0.33 0.00 2.02 -0.66 0.47 112.91 115.93 2qfn h THR 8 Ca 0.17 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 2qfn h THR 8 Cb 0.28 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2qfn h THR 8 CO -0.01 0.00 0.14 0.40 0.37 0.00 0.00 175.52 176.43 2qfn h ILE 9 N -0.15 1.17 -0.07 3.11 2.04 -0.93 -2.54 117.51 120.14 2qfn h ILE 9 Ca 0.03 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2qfn h ILE 9 Cb 0.18 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2qfn h ILE 9 CO -0.07 0.19 0.00 0.03 0.00 0.00 0.00 178.15 178.29 2qfn h ARG 10 N 0.39 0.10 0.00 2.37 3.08 -0.77 -1.12 114.38 118.43 2qfn h ARG 10 Ca 0.11 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qfn h ARG 10 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2qfn h ARG 10 CO -0.01 0.11 0.00 0.78 -1.07 0.00 0.00 179.97 179.78 2qfn h GLY 11 N 0.22 0.00 -5.09 0.04 0.00 -0.46 -3.22 103.07 94.56 2qfn h GLY 11 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.05 2qfn h GLY 11 CO 0.00 0.00 -0.83 1.34 0.00 0.00 0.00 176.54 177.05 2qfn n ASP 12 N -2.48 -0.13 0.02 0.19 2.03 -0.86 -5.04 116.55 110.29 2qfn n ASP 12 Ca 0.01 -2.71 -0.12 0.00 0.52 0.00 0.00 54.79 52.50 2qfn n ASP 12 Cb 0.23 0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 2qfn n ASP 12 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2qfn h LEU 13 N 2.62 0.04 -1.10 -2.67 7.12 -1.24 -1.28 115.31 118.81 2qfn h LEU 13 Ca -0.15 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.81 2qfn h LEU 13 Cb 1.20 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.29 2qfn h LEU 13 CO 0.26 0.04 0.24 -0.09 -0.13 0.00 0.00 178.44 178.76 2qfn h ARG 14 N 0.04 0.88 -0.09 1.25 2.43 -1.91 0.25 114.38 117.22 2qfn h ARG 14 Ca 0.01 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2qfn h ARG 14 Cb 0.01 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2qfn h ARG 14 CO -0.00 0.72 -0.07 1.15 -1.51 0.00 0.00 179.97 180.25 2qfn h THR 15 N 0.86 1.35 -0.54 0.20 2.02 -1.88 -1.68 112.91 113.23 2qfn h THR 15 Ca 0.20 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.10 2qfn h THR 15 Cb 0.18 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2qfn h THR 15 CO -0.02 0.33 -0.06 1.88 0.37 0.00 0.00 175.52 178.03 2qfn h TYR 16 N -0.18 1.10 -0.11 3.16 0.05 -0.98 -0.74 116.97 119.27 2qfn h TYR 16 Ca 0.02 -0.21 0.02 0.00 0.05 0.00 0.00 58.73 58.60 2qfn h TYR 16 Cb 0.57 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 2qfn h TYR 16 CO 0.08 1.01 -0.01 0.00 -1.05 0.00 0.00 178.16 178.20 2qfn h ALA 17 N 0.94 0.09 -0.36 3.88 0.00 -0.54 0.76 119.26 124.03 2qfn h ALA 17 Ca 0.15 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2qfn h ALA 17 Cb 0.61 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2qfn h ALA 17 CO 0.04 -0.47 -0.10 1.96 0.00 0.00 0.00 179.25 180.68 2qfn h GLN 18 N 0.03 0.71 -0.65 0.00 4.20 -1.21 -1.57 115.11 116.62 2qfn h GLN 18 Ca 0.05 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 2qfn h GLN 18 Cb 0.06 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2qfn h GLN 18 CO -0.09 0.87 0.21 -0.44 -0.67 0.00 0.00 178.83 178.70 2qfn h ASP 19 N 0.50 0.94 -0.28 1.46 3.32 -0.94 0.86 116.42 122.28 2qfn h ASP 19 Ca 0.09 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2qfn h ASP 19 Cb 0.62 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2qfn h ASP 19 CO 0.04 0.90 -0.23 0.40 -1.72 0.00 0.00 179.24 178.63 2qfn h ILE 20 N 0.93 1.30 -0.61 0.35 2.04 -0.83 -0.74 117.51 119.95 2qfn h ILE 20 Ca 0.21 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 2qfn h ILE 20 Cb 0.29 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2qfn h ILE 20 CO -0.01 0.44 0.25 0.15 0.00 0.00 0.00 178.15 178.98 2qfn h PHE 21 N 0.38 0.92 -0.68 1.37 3.57 -1.09 -0.78 116.94 120.64 2qfn h PHE 21 Ca 0.05 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2qfn h PHE 21 Cb 0.78 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 2qfn h PHE 21 CO 0.07 0.73 0.44 -0.07 -2.23 0.00 0.00 178.31 177.25 2qfn h LEU 22 N 0.85 0.76 -0.72 0.59 3.38 -0.74 0.28 115.31 119.71 2qfn h LEU 22 Ca 0.20 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.24 2qfn h LEU 22 Cb 0.19 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2qfn h LEU 22 CO -0.02 0.54 0.39 0.00 0.09 0.00 0.00 178.44 179.44 2qfn h ALA 23 N 1.26 0.99 0.37 1.53 0.00 -0.43 0.88 119.26 123.86 2qfn h ALA 23 Ca 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2qfn h ALA 23 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qfn h ALA 23 CO -0.07 0.03 -0.23 0.35 0.00 0.00 0.00 179.25 179.33 2qfn h PHE 24 N 0.68 -0.61 -0.58 0.00 3.57 -0.63 -0.49 116.94 118.89 2qfn h PHE 24 Ca 0.34 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2qfn h PHE 24 Cb 0.29 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2qfn h PHE 24 CO -0.09 -0.36 0.15 -0.07 -2.23 0.00 0.00 178.31 175.72 2qfn h LEU 25 N -0.58 0.84 -0.63 0.59 3.38 -0.56 -0.58 115.31 117.77 2qfn h LEU 25 Ca -0.04 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 2qfn h LEU 25 Cb 0.48 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2qfn h LEU 25 CO 0.04 0.81 -0.63 0.78 0.09 0.00 0.00 178.44 179.52 2qfn h ASN 26 N 0.87 0.24 0.04 -0.43 2.35 -0.80 -1.75 115.58 116.09 2qfn h ASN 26 Ca 0.19 -0.14 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 2qfn h ASN 26 Cb 0.30 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2qfn h ASN 26 CO -0.00 0.81 -0.56 0.50 -1.65 0.00 0.00 177.43 176.52 2qfn h LYS 27 N 0.15 0.55 -2.09 0.81 3.64 -0.78 -3.38 116.57 115.47 2qfn h LYS 27 Ca -0.01 -0.35 -0.58 0.00 -1.27 0.00 0.00 60.65 58.44 2qfn h LYS 27 Cb 1.15 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 32.61 2qfn h LYS 27 CO 0.10 0.96 -0.88 0.66 -2.27 0.00 0.00 179.45 178.02 2qfn n TYR 28 N -3.95 1.43 0.30 1.91 4.01 -0.25 -4.97 117.16 115.63 2qfn n TYR 28 Ca -0.03 -3.83 0.16 0.00 -0.16 0.00 0.00 57.90 54.04 2qfn n TYR 28 Cb 0.61 -0.44 0.91 0.00 -0.31 0.00 0.00 39.34 40.12 2qfn n TYR 28 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2qfn h PRO 29 N 4.10 0.00 0.00 -0.72 0.13 -1.51 -0.48 132.00 133.51 2qfn h PRO 29 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2qfn h PRO 29 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2qfn h PRO 29 CO 0.63 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 2qfn n ASP 30 N -3.68 0.00 0.16 1.44 5.75 -1.26 -2.03 116.55 116.93 2qfn n ASP 30 Ca -0.03 -0.41 0.13 0.00 -0.01 0.00 0.00 54.79 54.47 2qfn n ASP 30 Cb 0.12 -0.19 0.54 0.00 -1.03 0.00 0.00 41.12 40.56 2qfn n ASP 30 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2qfn h GLU 31 N 0.00 0.00 0.00 0.11 4.39 -1.42 -2.90 114.58 114.76 2qfn h GLU 31 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qfn h GLU 31 Cb 0.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2qfn h GLU 31 CO 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.84 2qfn h ARG 32 N 0.00 0.00 0.00 2.33 3.08 -1.59 -2.47 114.38 115.74 2qfn h ARG 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qfn h ARG 32 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2qfn h ARG 32 CO 0.00 0.01 0.00 0.07 -1.07 0.00 0.00 179.97 178.98 2qfn h ARG 33 N 0.00 0.00 0.00 0.04 0.11 -1.75 -0.50 114.38 112.28 2qfn h ARG 33 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2qfn h ARG 33 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 2qfn h ARG 33 CO 0.00 0.00 -0.35 0.66 0.10 0.00 0.00 179.97 180.38 2qfn n TYR 34 N -2.90 0.15 -4.05 4.08 4.01 -0.93 -4.90 117.16 112.63 2qfn n TYR 34 Ca -0.03 0.04 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 2qfn n TYR 34 Cb 0.06 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.63 2qfn n TYR 34 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2qfn s PHE 35 N -3.04 1.95 -0.02 -0.72 0.40 -0.20 -5.13 117.98 111.22 2qfn s PHE 35 Ca 0.11 -0.78 0.08 0.00 -0.60 0.00 0.00 56.93 55.73 2qfn s PHE 35 Cb 0.17 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2qfn s PHE 35 CO 0.65 -0.20 -0.25 0.15 0.70 0.00 0.00 175.22 176.27 2qfn s LYS 36 N -4.13 2.16 -1.37 0.44 -0.14 -1.26 -4.76 119.74 110.68 2qfn s LYS 36 Ca 0.32 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 2qfn s LYS 36 Cb -0.00 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 2qfn s LYS 36 CO 0.19 0.56 0.00 0.09 -0.76 0.00 0.00 175.35 175.44 2qfn n ASN 37 N 2.43 -4.52 -0.05 2.83 3.02 -1.26 -4.89 115.26 112.82 2qfn n ASN 37 Ca -0.16 0.24 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 2qfn n ASN 37 Cb 0.51 -3.36 -0.14 0.00 -0.61 0.00 0.00 39.78 36.18 2qfn n ASN 37 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2qfn n TYR 38 N -3.01 0.69 -1.73 3.10 4.01 -1.26 -4.98 117.16 113.99 2qfn n TYR 38 Ca -0.14 0.22 -0.39 0.00 -0.16 0.00 0.00 57.90 57.43 2qfn n TYR 38 Cb 0.50 -1.12 0.04 0.00 -0.31 0.00 0.00 39.34 38.45 2qfn n TYR 38 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2qfn n VAL 39 N -3.05 3.68 -1.21 -0.72 0.31 -1.26 -3.49 118.33 112.59 2qfn n VAL 39 Ca -0.26 -0.50 -0.04 0.00 -0.01 0.00 0.00 64.34 63.53 2qfn n VAL 39 Cb 1.08 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 32.39 2qfn n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qfn n GLY 40 N 0.82 0.66 3.15 2.92 0.00 -1.26 -5.03 105.19 106.45 2qfn n GLY 40 Ca 0.10 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2qfn n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qfn s LYS 41 N -2.52 1.26 0.83 1.61 1.02 -1.23 -5.13 119.74 115.58 2qfn s LYS 41 Ca 0.00 -0.61 -0.12 0.00 0.02 0.00 0.00 55.97 55.26 2qfn s LYS 41 Cb 0.00 -1.23 0.09 0.00 -0.52 0.00 0.00 37.83 36.17 2qfn s LYS 41 CO 0.00 0.33 1.16 -1.54 -0.92 0.00 0.00 175.35 174.38 2qfn s SER 42 N -0.50 4.28 0.19 2.83 1.04 -1.26 -4.82 113.70 115.46 2qfn s SER 42 Ca 0.06 0.89 -0.15 0.00 0.48 0.00 0.00 55.95 57.23 2qfn s SER 42 Cb -0.06 -1.44 0.17 0.00 0.10 0.00 0.00 66.02 64.78 2qfn s SER 42 CO -0.00 -2.06 1.65 0.44 0.98 0.00 0.00 173.24 174.25 2qfn h ASP 43 N -1.16 -0.44 -0.51 7.02 3.45 -2.00 -0.13 116.42 122.65 2qfn h ASP 43 Ca -0.47 0.15 -0.06 0.00 0.43 0.00 0.00 57.03 57.07 2qfn h ASP 43 Cb 1.32 0.30 -0.02 0.00 -0.56 0.00 0.00 39.33 40.37 2qfn h ASP 43 CO 0.64 -0.16 0.09 1.56 -1.57 0.00 0.00 179.24 179.81 2qfn h GLN 44 N 0.01 0.90 -0.56 3.56 1.08 -1.99 -0.05 115.11 118.07 2qfn h GLN 44 Ca 0.25 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2qfn h GLN 44 Cb 0.38 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2qfn h GLN 44 CO -0.51 0.84 0.18 0.93 -0.95 0.00 0.00 178.83 179.32 2qfn h GLU 45 N 0.85 0.86 -0.71 1.46 5.08 -1.71 -2.52 114.58 117.89 2qfn h GLU 45 Ca 0.18 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2qfn h GLU 45 Cb 0.38 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2qfn h GLU 45 CO 0.01 0.78 0.42 -0.07 -1.00 0.00 0.00 179.01 179.15 2qfn h LEU 46 N 0.78 0.86 -1.37 1.33 3.38 -0.65 -2.76 115.31 116.88 2qfn h LEU 46 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2qfn h LEU 46 Cb 0.27 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qfn h LEU 46 CO -0.01 0.68 0.00 0.11 0.09 0.00 0.00 178.44 179.31 2qfn h LYS 47 N 0.97 0.00 -0.01 1.13 1.57 -0.73 -1.73 116.57 117.77 2qfn h LYS 47 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2qfn h LYS 47 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2qfn h LYS 47 CO -0.05 0.00 -0.31 0.43 -0.57 0.00 0.00 179.45 178.96 2qfn n SER 48 N -2.83 1.30 -4.66 0.86 7.64 -0.97 -4.76 113.62 110.19 2qfn n SER 48 Ca 0.01 -1.07 -0.43 0.00 1.01 0.00 0.00 58.87 58.39 2qfn n SER 48 Cb 0.26 0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 2qfn n SER 48 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2qfn s MET 49 N -2.48 4.27 0.23 1.43 -1.94 -0.65 -4.95 119.30 115.21 2qfn s MET 49 Ca 0.23 1.30 -0.06 0.00 -1.71 0.00 0.00 55.69 55.45 2qfn s MET 49 Cb 0.19 -3.63 0.39 0.00 2.01 0.00 0.00 34.83 33.80 2qfn s MET 49 CO 0.53 -0.57 1.73 0.00 -0.01 0.00 0.00 175.02 176.71 2qfn h ALA 50 N 7.43 0.96 0.00 3.03 0.00 -1.87 -1.16 119.26 127.65 2qfn h ALA 50 Ca -0.21 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2qfn h ALA 50 Cb 1.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2qfn h ALA 50 CO 0.95 -0.20 -0.18 0.87 0.00 0.00 0.00 179.25 180.69 2qfn h LYS 51 N 0.43 0.00 0.22 0.00 1.57 -1.94 -2.20 116.57 114.66 2qfn h LYS 51 Ca 0.38 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 2qfn h LYS 51 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2qfn h LYS 51 CO -0.37 0.18 -0.10 0.35 -0.57 0.00 0.00 179.45 178.93 2qfn h PHE 52 N 0.00 -0.27 -0.92 -1.35 3.57 -1.47 0.22 116.94 116.71 2qfn h PHE 52 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2qfn h PHE 52 Cb 0.39 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 2qfn h PHE 52 CO 0.00 0.09 0.61 0.78 -2.23 0.00 0.00 178.31 177.56 2qfn h GLY 53 N -0.69 1.30 0.96 2.40 0.00 -1.47 -1.05 103.07 104.51 2qfn h GLY 53 Ca -0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 2qfn h GLY 53 CO 0.05 0.48 0.00 -1.80 0.00 0.00 0.00 176.54 175.27 2qfn h ASP 54 N 1.26 0.01 0.31 0.19 3.58 -1.36 -1.26 116.42 119.14 2qfn h ASP 54 Ca 0.34 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 2qfn h ASP 54 Cb -0.14 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 2qfn h ASP 54 CO -0.07 0.04 -0.18 -0.74 -2.88 0.00 0.00 179.24 175.42 2qfn h HIS 55 N -0.04 -0.46 -0.89 0.28 2.76 -0.73 -1.60 115.15 114.47 2qfn h HIS 55 Ca 0.00 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2qfn h HIS 55 Cb 0.04 0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.12 2qfn h HIS 55 CO -0.06 -0.28 0.58 1.79 -1.30 0.00 0.00 177.93 178.66 2qfn h THR 56 N -0.46 1.20 -0.25 6.26 1.35 -1.13 -0.23 112.91 119.65 2qfn h THR 56 Ca -0.03 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 2qfn h THR 56 Cb 0.37 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 2qfn h THR 56 CO 0.04 0.21 0.10 -0.33 -0.25 0.00 0.00 175.52 175.30 2qfn h GLU 57 N 1.16 0.38 -0.54 4.72 5.08 -1.07 -0.86 114.58 123.46 2qfn h GLU 57 Ca 0.34 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2qfn h GLU 57 Cb -0.08 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2qfn h GLU 57 CO -0.08 0.41 0.32 0.87 -1.00 0.00 0.00 179.01 179.53 2qfn h LYS 58 N 0.26 0.61 -0.22 2.33 1.57 -0.53 0.23 116.57 120.82 2qfn h LYS 58 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2qfn h LYS 58 Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2qfn h LYS 58 CO -0.01 0.40 0.09 0.28 -0.57 0.00 0.00 179.45 179.65 2qfn h VAL 59 N 0.63 1.16 0.01 0.50 2.07 -0.93 -2.44 116.25 117.25 2qfn h VAL 59 Ca 0.22 -0.49 -0.20 0.00 0.82 0.00 0.00 66.70 67.05 2qfn h VAL 59 Cb 0.04 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2qfn h VAL 59 CO -0.10 0.16 -0.91 -0.26 0.02 0.00 0.00 177.57 176.47 2qfn h PHE 60 N 0.21 0.19 -0.31 1.57 0.04 -0.92 0.39 116.94 118.10 2qfn h PHE 60 Ca 0.07 -0.11 0.07 0.00 2.80 0.00 0.00 57.97 60.80 2qfn h PHE 60 Cb 0.17 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.23 2qfn h PHE 60 CO -0.01 0.96 -0.13 -0.91 -0.60 0.00 0.00 178.31 177.62 2qfn h ASN 61 N 0.06 -0.45 -0.25 2.17 2.35 -0.52 -0.29 115.58 118.65 2qfn h ASN 61 Ca -0.04 0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2qfn h ASN 61 Cb 1.57 0.26 -0.00 0.00 0.05 0.00 0.00 38.32 40.19 2qfn h ASN 61 CO 0.13 -0.16 -0.20 0.25 -1.65 0.00 0.00 177.43 175.80 2qfn h LEU 62 N -0.08 0.60 -0.70 1.61 5.85 -1.25 -2.35 115.31 118.99 2qfn h LEU 62 Ca 0.16 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.48 2qfn h LEU 62 Cb 0.32 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2qfn h LEU 62 CO -0.37 0.93 0.40 -0.03 -0.34 0.00 0.00 178.44 179.03 2qfn h MET 63 N 0.28 0.72 -0.45 1.25 4.05 -0.73 0.25 114.93 120.29 2qfn h MET 63 Ca 0.04 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2qfn h MET 63 Cb 0.74 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 2qfn h MET 63 CO 0.05 0.48 0.01 0.52 0.23 0.00 0.00 176.91 178.19 2qfn h MET 64 N 0.74 0.74 -0.41 0.39 2.86 -0.99 -0.82 114.93 117.45 2qfn h MET 64 Ca 0.31 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2qfn h MET 64 Cb 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2qfn h MET 64 CO -0.18 0.74 0.23 0.93 1.06 0.00 0.00 176.91 179.70 2qfn h GLU 65 N 0.69 0.56 -0.53 1.72 5.08 -0.71 0.83 114.58 122.22 2qfn h GLU 65 Ca 0.14 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2qfn h GLU 65 Cb 0.42 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2qfn h GLU 65 CO 0.02 0.44 0.30 0.28 -1.00 0.00 0.00 179.01 179.05 2qfn h VAL 66 N 0.53 1.17 -0.74 3.13 2.07 -0.70 0.78 116.25 122.49 2qfn h VAL 66 Ca 0.14 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2qfn h VAL 66 Cb 0.03 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2qfn h VAL 66 CO -0.02 0.18 0.46 0.00 0.02 0.00 0.00 177.57 178.21 2qfn h ALA 67 N 1.14 0.98 -0.11 1.67 0.00 -0.99 -1.99 119.26 119.95 2qfn h ALA 67 Ca 0.19 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2qfn h ALA 67 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2qfn h ALA 67 CO -0.03 0.24 -0.55 0.22 0.00 0.00 0.00 179.25 179.13 2qfn h ASP 68 N 0.90 0.37 1.43 0.00 -0.00 0.00 -2.62 116.42 116.51 2qfn h ASP 68 Ca 0.30 -0.20 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 2qfn h ASP 68 Cb 0.04 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.26 2qfn h ASP 68 CO -0.12 0.85 0.00 0.54 -0.00 0.00 0.00 179.24 180.51 2qfn n ARG 69 N -3.93 0.25 -1.28 0.28 1.74 0.19 -4.88 116.66 109.03 2qfn n ARG 69 Ca -0.02 0.22 -0.32 0.00 -0.77 0.00 0.00 57.85 56.96 2qfn n ARG 69 Cb 0.59 -1.80 0.09 0.00 -1.02 0.00 0.00 32.46 30.32 2qfn n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qfn s ALA 70 N -3.11 2.18 -0.15 7.54 0.00 -0.77 -4.59 121.76 122.85 2qfn s ALA 70 Ca 0.11 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.46 2qfn s ALA 70 Cb 0.12 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2qfn s ALA 70 CO 0.59 -1.83 -0.17 0.99 0.00 0.00 0.00 175.76 175.34 2qfn s THR 71 N -2.72 2.54 -1.55 0.00 2.01 -0.59 -4.69 115.64 110.63 2qfn s THR 71 Ca 0.64 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2qfn s THR 71 Cb -0.19 -2.06 0.09 0.00 0.01 0.00 0.00 72.50 70.34 2qfn s THR 71 CO 0.53 0.52 0.82 0.47 -0.69 0.00 0.00 174.62 176.27 2qfn n ASP 72 N 4.08 -3.34 -1.15 3.53 10.43 -1.26 -0.35 116.55 128.49 2qfn n ASP 72 Ca -0.19 -0.89 -0.15 0.00 2.57 0.00 0.00 54.79 56.13 2qfn n ASP 72 Cb 0.52 -3.42 -0.06 0.00 1.84 0.00 0.00 41.12 39.99 2qfn n ASP 72 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2qfn n SER 73 N -2.82 -5.05 -4.49 -2.24 7.64 -1.26 -4.96 113.62 100.43 2qfn n SER 73 Ca -0.03 0.37 -0.39 0.00 1.01 0.00 0.00 58.87 59.83 2qfn n SER 73 Cb 0.55 -3.87 -0.11 0.00 -1.01 0.00 0.00 64.21 59.77 2qfn n SER 73 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qfn s VAL 74 N -2.47 4.98 0.66 0.44 1.01 0.52 -4.13 120.40 121.41 2qfn s VAL 74 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2qfn s VAL 74 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 2qfn s VAL 74 CO 0.00 0.03 1.07 -2.16 0.00 0.00 0.00 175.10 174.03 2qfn s PRO 75 N 1.67 2.98 0.35 2.72 0.04 -1.26 -1.55 135.00 139.95 2qfn s PRO 75 Ca 0.05 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 2qfn s PRO 75 Cb -0.17 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 2qfn s PRO 75 CO 0.09 -1.07 1.44 -0.51 0.04 0.00 0.00 177.00 176.98 2qfn s LEU 76 N -5.15 4.36 0.26 -3.56 1.43 -1.26 -4.92 118.68 109.83 2qfn s LEU 76 Ca 0.61 2.92 -0.02 0.00 -1.03 0.00 0.00 54.13 56.61 2qfn s LEU 76 Cb -0.16 -3.66 0.51 0.00 0.03 0.00 0.00 46.19 42.92 2qfn s LEU 76 CO 0.47 -0.77 1.74 0.00 0.23 0.00 0.00 176.35 178.02 2qfn h ALA 77 N 3.33 1.17 -0.36 4.21 0.00 -1.97 -1.94 119.26 123.71 2qfn h ALA 77 Ca -0.50 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2qfn h ALA 77 Cb 1.23 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2qfn h ALA 77 CO 0.66 -0.19 0.17 0.66 0.00 0.00 0.00 179.25 180.56 2qfn h SER 78 N 0.50 0.44 -0.46 0.00 4.64 -1.99 0.60 113.55 117.28 2qfn h SER 78 Ca 0.45 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.62 2qfn h SER 78 Cb 0.69 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2qfn h SER 78 CO -0.40 0.38 -0.15 0.44 -0.87 0.00 0.00 176.83 176.22 2qfn h ASP 79 N 0.50 0.93 -0.30 4.97 3.45 -1.75 -0.99 116.42 123.23 2qfn h ASP 79 Ca 0.13 -0.38 -0.01 0.00 0.43 0.00 0.00 57.03 57.20 2qfn h ASP 79 Cb 0.06 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 2qfn h ASP 79 CO -0.02 1.10 0.16 0.00 -1.57 0.00 0.00 179.24 178.91 2qfn h ALA 80 N 0.86 0.39 -0.38 3.45 0.00 -0.94 -2.21 119.26 120.44 2qfn h ALA 80 Ca 0.11 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2qfn h ALA 80 Cb 0.71 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2qfn h ALA 80 CO 0.05 -0.06 -0.00 -0.97 0.00 0.00 0.00 179.25 178.27 2qfn h ASN 81 N 0.36 -0.16 -0.67 0.00 -1.24 -0.79 -1.07 115.58 112.01 2qfn h ASN 81 Ca 0.11 0.09 0.05 0.00 0.71 0.00 0.00 56.30 57.26 2qfn h ASN 81 Cb 0.09 0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.25 2qfn h ASN 81 CO -0.02 -0.04 0.38 0.74 -1.29 0.00 0.00 177.43 177.21 2qfn h THR 82 N 0.10 0.99 -0.23 -3.57 2.02 -1.02 -0.57 112.91 110.64 2qfn h THR 82 Ca 0.18 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 2qfn h THR 82 Cb 0.26 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2qfn h THR 82 CO -0.31 0.13 -0.19 -0.07 0.37 0.00 0.00 175.52 175.45 2qfn h LEU 83 N 0.72 0.39 -0.21 2.58 3.38 -0.75 -2.03 115.31 119.40 2qfn h LEU 83 Ca 0.29 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 2qfn h LEU 83 Cb 0.15 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qfn h LEU 83 CO -0.17 0.61 -0.80 0.58 0.09 0.00 0.00 178.44 178.75 2qfn h VAL 84 N 0.37 1.31 0.00 1.22 2.07 -0.58 -3.32 116.25 117.31 2qfn h VAL 84 Ca 0.06 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.53 2qfn h VAL 84 Cb 0.55 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2qfn h VAL 84 CO 0.04 0.64 -0.21 1.56 0.02 0.00 0.00 177.57 179.61 2qfn h GLN 85 N 0.45 0.00 -6.47 1.57 1.08 -0.93 -3.43 115.11 107.38 2qfn h GLN 85 Ca -0.06 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.56 2qfn h GLN 85 Cb 1.42 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.90 2qfn h GLN 85 CO 0.16 0.00 0.90 -1.33 -0.95 0.00 0.00 178.83 177.60 2qfn n MET 86 N -2.65 2.25 -0.34 1.46 2.81 -0.78 -4.86 117.12 115.01 2qfn n MET 86 Ca 0.04 0.82 0.09 0.00 -1.81 0.00 0.00 57.70 56.84 2qfn n MET 86 Cb 0.49 -2.62 0.29 0.00 -0.71 0.00 0.00 33.22 30.67 2qfn n MET 86 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2qfn h LYS 87 N 6.84 0.86 -0.11 0.03 3.64 -1.92 0.68 116.57 126.59 2qfn h LYS 87 Ca -0.46 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 2qfn h LYS 87 Cb 1.25 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2qfn h LYS 87 CO 0.91 0.57 0.17 1.96 -2.27 0.00 0.00 179.45 180.78 2qfn h GLN 88 N 0.89 0.00 -0.52 1.90 1.08 -1.97 -2.31 115.11 114.17 2qfn h GLN 88 Ca 0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.70 2qfn h GLN 88 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2qfn h GLN 88 CO -0.27 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 178.33 2qfn n HIS 89 N -3.57 0.89 0.26 2.96 8.25 0.23 -4.73 115.22 119.51 2qfn n HIS 89 Ca -0.00 -0.56 0.10 0.00 -0.26 0.00 0.00 57.72 57.00 2qfn n HIS 89 Cb 0.27 -0.10 0.68 0.00 1.12 0.00 0.00 29.99 31.96 2qfn n HIS 89 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2qfn h SER 90 N 3.14 0.00 -0.59 0.41 4.64 -1.38 -2.51 113.55 117.26 2qfn h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qfn h SER 90 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2qfn h SER 90 CO 0.07 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 174.59 2qfn n SER 91 N -4.08 4.24 -4.90 4.97 3.41 -1.26 -4.99 113.62 111.01 2qfn n SER 91 Ca -0.03 -2.32 -0.28 0.00 -0.26 0.00 0.00 58.87 55.99 2qfn n SER 91 Cb 0.18 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 2qfn n SER 91 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qfn s LEU 92 N -1.60 3.87 0.36 1.04 1.43 -0.95 -5.12 118.68 117.73 2qfn s LEU 92 Ca 0.46 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.46 2qfn s LEU 92 Cb 0.28 -3.72 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 2qfn s LEU 92 CO 0.24 -0.37 0.01 0.42 0.23 0.00 0.00 176.35 176.88 2qfn s THR 93 N -2.38 1.70 0.52 5.49 -4.23 -1.26 -4.59 115.64 110.89 2qfn s THR 93 Ca 0.46 -2.03 0.26 0.00 -1.18 0.00 0.00 61.69 59.21 2qfn s THR 93 Cb -0.10 -2.85 0.31 0.00 1.34 0.00 0.00 72.50 71.20 2qfn s THR 93 CO 0.35 -0.04 2.17 0.71 -0.54 0.00 0.00 174.62 177.27 2qfn h THR 94 N 1.96 0.64 -0.74 3.99 1.35 -1.85 -1.69 112.91 116.57 2qfn h THR 94 Ca -0.42 -0.21 0.08 0.00 -0.55 0.00 0.00 66.41 65.30 2qfn h THR 94 Cb 1.24 1.13 -0.05 0.00 -1.73 0.00 0.00 68.15 68.74 2qfn h THR 94 CO 0.75 0.05 0.48 1.23 -0.25 0.00 0.00 175.52 177.78 2qfn h GLY 95 N 0.29 0.96 0.99 5.82 0.00 -1.96 -0.40 103.07 108.77 2qfn h GLY 95 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2qfn h GLY 95 CO 0.01 0.20 0.31 3.43 0.00 0.00 0.00 176.54 180.48 2qfn h ASN 96 N 0.73 0.64 -0.42 0.19 4.21 -1.72 -1.83 115.58 117.39 2qfn h ASN 96 Ca 0.33 -0.07 -0.07 0.00 1.21 0.00 0.00 56.30 57.69 2qfn h ASN 96 Cb 0.33 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2qfn h ASN 96 CO -0.11 0.52 -0.01 -0.26 -1.29 0.00 0.00 177.43 176.28 2qfn h PHE 97 N 0.70 0.82 -0.80 1.19 0.04 -1.35 -2.48 116.94 115.07 2qfn h PHE 97 Ca 0.19 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2qfn h PHE 97 Cb 0.01 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 37.91 2qfn h PHE 97 CO -0.02 0.82 0.49 1.49 -0.60 0.00 0.00 178.31 180.49 2qfn h GLU 98 N 0.58 1.07 -0.53 1.51 4.57 -0.90 -1.60 114.58 119.29 2qfn h GLU 98 Ca 0.12 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2qfn h GLU 98 Cb 0.50 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2qfn h GLU 98 CO 0.02 0.74 0.26 0.87 -1.18 0.00 0.00 179.01 179.73 2qfn h LYS 99 N 1.09 0.76 -0.52 1.92 1.57 -1.19 0.51 116.57 120.71 2qfn h LYS 99 Ca 0.29 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2qfn h LYS 99 Cb -0.06 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 2qfn h LYS 99 CO -0.06 0.62 0.27 1.25 -0.57 0.00 0.00 179.45 180.97 2qfn h LEU 100 N 0.71 0.40 -0.64 2.94 5.85 -0.95 -1.58 115.31 122.05 2qfn h LEU 100 Ca 0.18 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 2qfn h LEU 100 Cb 0.10 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2qfn h LEU 100 CO -0.02 0.28 -0.61 -0.26 -0.34 0.00 0.00 178.44 177.48 2qfn h PHE 101 N 0.53 0.32 -0.26 1.25 -1.00 -0.93 -0.72 116.94 116.13 2qfn h PHE 101 Ca 0.23 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.91 2qfn h PHE 101 Cb 0.12 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 2qfn h PHE 101 CO -0.09 0.80 0.10 0.28 -1.61 0.00 0.00 178.31 177.78 2qfn h VAL 102 N 0.19 0.95 -0.66 -0.55 2.07 -0.57 -0.07 116.25 117.60 2qfn h VAL 102 Ca -0.01 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2qfn h VAL 102 Cb 1.12 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2qfn h VAL 102 CO 0.10 0.04 0.30 0.00 0.02 0.00 0.00 177.57 178.03 2qfn h ALA 103 N 1.16 0.85 -0.42 1.67 0.00 -1.12 -0.92 119.26 120.48 2qfn h ALA 103 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2qfn h ALA 103 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2qfn h ALA 103 CO -0.11 0.43 0.17 1.25 0.00 0.00 0.00 179.25 180.99 2qfn h LEU 104 N 0.91 0.58 -0.55 0.00 6.46 -0.87 -0.10 115.31 121.74 2qfn h LEU 104 Ca 0.22 -0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2qfn h LEU 104 Cb 0.14 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2qfn h LEU 104 CO -0.03 0.58 0.21 0.58 -0.62 0.00 0.00 178.44 179.17 2qfn h VAL 105 N 0.54 1.22 -0.61 1.05 2.07 -0.84 -1.31 116.25 118.38 2qfn h VAL 105 Ca 0.14 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2qfn h VAL 105 Cb 0.18 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2qfn h VAL 105 CO -0.01 0.27 0.36 -0.33 0.02 0.00 0.00 177.57 177.88 2qfn h GLU 106 N 0.75 0.69 -0.34 1.57 5.08 -0.92 -1.34 114.58 120.09 2qfn h GLU 106 Ca 0.18 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2qfn h GLU 106 Cb 0.21 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2qfn h GLU 106 CO -0.01 0.45 0.16 -0.92 -1.00 0.00 0.00 179.01 177.69 2qfn h TYR 107 N 0.71 0.29 -0.62 4.33 3.20 -0.74 -1.86 116.97 122.29 2qfn h TYR 107 Ca 0.25 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 2qfn h TYR 107 Cb 0.05 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2qfn h TYR 107 CO -0.06 0.15 0.28 0.52 -1.64 0.00 0.00 178.16 177.42 2qfn h MET 108 N 0.33 0.90 -0.65 1.82 2.86 -0.74 -1.70 114.93 117.75 2qfn h MET 108 Ca 0.14 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2qfn h MET 108 Cb 0.06 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2qfn h MET 108 CO -0.11 0.73 0.14 0.00 1.06 0.00 0.00 176.91 178.74 2qfn h ARG 109 N 0.85 1.04 0.00 1.72 3.08 -1.06 -2.72 114.38 117.29 2qfn h ARG 109 Ca 0.21 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2qfn h ARG 109 Cb 0.14 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2qfn h ARG 109 CO -0.02 0.93 -0.04 0.00 -1.07 0.00 0.00 179.97 179.77 2qfn h ALA 110 N 1.16 1.00 -2.45 0.04 0.00 -1.06 -3.46 119.26 114.49 2qfn h ALA 110 Ca 0.21 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.57 2qfn h ALA 110 Cb 0.37 -0.01 0.11 0.00 0.00 0.00 0.00 17.79 18.26 2qfn h ALA 110 CO 0.00 0.05 0.37 0.45 0.00 0.00 0.00 179.25 180.12 2qfn s SER 111 N -5.88 5.02 0.00 0.00 0.15 -0.66 -4.95 113.70 107.38 2qfn s SER 111 Ca 0.02 1.99 0.21 0.00 0.70 0.00 0.00 55.95 58.88 2qfn s SER 111 Cb 0.08 -2.55 0.99 0.00 -1.71 0.00 0.00 66.02 62.83 2qfn s SER 111 CO 0.59 -1.69 1.67 0.61 1.20 0.00 0.00 173.24 175.61 2qfn n GLY 112 N -0.56 -1.07 3.83 9.45 0.00 -1.26 -4.84 105.19 110.74 2qfn n GLY 112 Ca 0.10 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2qfn n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qfn s GLN 113 N -2.73 3.99 -0.35 1.61 1.11 -1.26 -5.01 119.66 117.02 2qfn s GLN 113 Ca 0.16 0.49 -0.05 0.00 0.01 0.00 0.00 55.36 55.97 2qfn s GLN 113 Cb 0.14 -3.14 -0.14 0.00 -1.01 0.00 0.00 33.01 28.86 2qfn s GLN 113 CO 0.34 0.62 2.49 -1.13 0.01 0.00 0.00 175.29 177.62 2qfn n SER 114 N 1.46 4.24 -4.76 5.90 3.41 -1.26 -4.95 113.62 117.66 2qfn n SER 114 Ca -0.10 -2.22 -0.35 0.00 -0.26 0.00 0.00 58.87 55.94 2qfn n SER 114 Cb 0.52 -1.03 0.04 0.00 -0.26 0.00 0.00 64.21 63.48 2qfn n SER 114 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2qfn s PHE 115 N 2.14 2.48 -1.30 7.33 0.40 -1.26 -4.80 117.98 122.97 2qfn s PHE 115 Ca 0.45 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 58.21 2qfn s PHE 115 Cb 0.18 -3.34 0.14 0.00 0.51 0.00 0.00 43.02 40.51 2qfn s PHE 115 CO -0.01 -1.95 1.83 -3.47 0.70 0.00 0.00 175.22 172.32 2qfn n ASP 116 N -1.88 4.90 -0.35 1.36 4.64 -1.26 -4.85 116.55 119.10 2qfn n ASP 116 Ca 0.12 -3.02 0.05 0.00 -1.38 0.00 0.00 54.79 50.56 2qfn n ASP 116 Cb 0.51 -1.55 0.22 0.00 -1.04 0.00 0.00 41.12 39.26 2qfn n ASP 116 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 2qfn h SER 117 N 6.24 0.96 -0.42 1.67 4.64 -1.93 -1.42 113.55 123.29 2qfn h SER 117 Ca 0.41 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.74 2qfn h SER 117 Cb 0.70 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 2qfn h SER 117 CO 1.58 0.56 0.22 -0.61 -0.87 0.00 0.00 176.83 177.71 2qfn h GLN 118 N 1.06 0.64 -0.09 4.77 4.15 -1.96 -1.31 115.11 122.37 2qfn h GLN 118 Ca 0.46 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.67 2qfn h GLN 118 Cb 0.33 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2qfn h GLN 118 CO -0.21 0.50 -0.53 0.77 -1.93 0.00 0.00 178.83 177.43 2qfn h SER 119 N 0.64 0.26 -0.03 -0.69 0.02 -1.68 -1.23 113.55 110.85 2qfn h SER 119 Ca 0.16 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 2qfn h SER 119 Cb 0.07 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2qfn h SER 119 CO -0.02 0.75 -0.45 -0.50 -1.14 0.00 0.00 176.83 175.46 2qfn h TRP 120 N 0.19 0.69 -0.18 3.45 4.06 -1.19 -0.03 115.95 122.95 2qfn h TRP 120 Ca 0.00 -0.22 0.01 0.00 2.06 0.00 0.00 58.89 60.74 2qfn h TRP 120 Cb 1.00 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 29.00 2qfn h TRP 120 CO 0.02 0.92 0.10 0.22 -3.56 0.00 0.00 178.44 176.14 2qfn h ASP 121 N 0.46 0.17 -0.48 -3.49 1.82 -0.96 0.06 116.42 114.00 2qfn h ASP 121 Ca 0.03 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2qfn h ASP 121 Cb 0.97 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.92 2qfn h ASP 121 CO 0.09 0.12 0.31 0.03 -1.61 0.00 0.00 179.24 178.18 2qfn h ARG 122 N 0.21 0.61 -0.47 0.28 3.08 -1.04 -0.89 114.38 116.16 2qfn h ARG 122 Ca 0.07 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2qfn h ARG 122 Cb -0.01 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 2qfn h ARG 122 CO -0.03 0.40 0.18 0.35 -1.07 0.00 0.00 179.97 179.80 2qfn h PHE 123 N 0.63 0.31 -0.32 3.04 3.04 -0.79 0.33 116.94 123.18 2qfn h PHE 123 Ca 0.18 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.17 2qfn h PHE 123 Cb -0.04 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 2qfn h PHE 123 CO -0.05 0.11 0.20 0.78 -2.02 0.00 0.00 178.31 177.33 2qfn h GLY 124 N 0.36 0.45 1.01 2.40 0.00 -0.56 0.26 103.07 106.98 2qfn h GLY 124 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2qfn h GLY 124 CO -0.22 0.14 0.32 0.50 0.00 0.00 0.00 176.54 177.28 2qfn h LYS 125 N 0.41 1.02 -0.28 4.80 1.57 -0.61 -0.53 116.57 122.95 2qfn h LYS 125 Ca 0.12 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 2qfn h LYS 125 Cb -0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2qfn h LYS 125 CO -0.04 0.82 -0.41 -0.91 -0.57 0.00 0.00 179.45 178.33 2qfn h ASN 126 N 0.99 0.73 -0.27 0.86 2.35 -0.03 -1.34 115.58 118.87 2qfn h ASN 126 Ca 0.24 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2qfn h ASN 126 Cb 0.15 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2qfn h ASN 126 CO -0.03 1.05 0.11 0.25 -1.65 0.00 0.00 177.43 177.17 2qfn h LEU 127 N 0.56 0.37 -0.33 1.61 5.85 -0.27 0.74 115.31 123.85 2qfn h LEU 127 Ca 0.04 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.65 2qfn h LEU 127 Cb 0.95 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2qfn h LEU 127 CO 0.09 0.43 0.10 0.58 -0.34 0.00 0.00 178.44 179.29 2qfn h VAL 128 N 0.29 0.89 -0.72 1.05 2.07 -0.91 0.31 116.25 119.23 2qfn h VAL 128 Ca 0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2qfn h VAL 128 Cb 0.17 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2qfn h VAL 128 CO -0.01 0.04 0.46 0.77 0.02 0.00 0.00 177.57 178.86 2qfn h SER 129 N 0.23 0.85 -0.75 0.57 4.64 -1.04 0.59 113.55 118.65 2qfn h SER 129 Ca 0.15 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2qfn h SER 129 Cb 0.13 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2qfn h SER 129 CO -0.16 0.63 0.24 0.00 -0.87 0.00 0.00 176.83 176.66 2qfn h ALA 130 N 1.25 1.00 -0.75 5.18 0.00 -0.15 -0.68 119.26 125.11 2qfn h ALA 130 Ca 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2qfn h ALA 130 Cb -0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 2qfn h ALA 130 CO -0.05 0.67 0.28 -0.07 0.00 0.00 0.00 179.25 180.07 2qfn h LEU 131 N 1.12 1.05 -0.27 0.00 3.38 0.20 -0.32 115.31 120.47 2qfn h LEU 131 Ca 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qfn h LEU 131 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2qfn h LEU 131 CO -0.01 0.95 0.18 0.28 0.09 0.00 0.00 178.44 179.93 2qfn h SER 132 N 1.10 0.32 0.01 -0.43 0.02 -0.52 -1.10 113.55 112.95 2qfn h SER 132 Ca 0.25 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2qfn h SER 132 Cb 0.24 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2qfn h SER 132 CO -0.02 0.24 -0.07 0.28 -1.14 0.00 0.00 176.83 176.12 2qfn h SER 133 N 0.36 0.16 0.60 3.07 0.02 -0.65 -0.53 113.55 116.59 2qfn h SER 133 Ca 0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2qfn h SER 133 Cb -0.03 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2qfn h SER 133 CO -0.02 0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.93 2qfn n ALA 134 N -2.50 2.27 0.00 3.77 0.00 -0.17 -4.92 120.51 118.96 2qfn n ALA 134 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2qfn n ALA 134 Cb 0.21 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2qfn n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qfn n GLY 135 N 0.99 0.85 3.74 0.00 0.00 -0.21 -4.96 105.19 105.60 2qfn n GLY 135 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2qfn n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qfn s MET 136 N -0.73 4.44 0.00 1.61 0.00 -0.48 -5.00 119.30 119.14 2qfn s MET 136 Ca 0.00 2.00 0.25 0.00 0.00 0.00 0.00 55.69 57.94 2qfn s MET 136 Cb 0.00 -3.19 1.50 0.00 0.00 0.00 0.00 34.83 33.14 2qfn s MET 136 CO 0.00 -0.15 1.86 1.63 0.00 0.00 0.00 175.02 178.36