#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 s SER 2 N 0.00 0.82 -0.91 4.31 0.15 -1.26 -5.07 113.70 111.74 2f05 s SER 2 Ca 0.00 -1.45 -0.24 0.00 0.70 0.00 0.00 55.95 54.96 2f05 s SER 2 Cb 0.00 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2f05 s SER 2 CO 0.00 -1.34 1.48 -1.81 1.20 0.00 0.00 173.24 172.77 2f05 s ASP 3 N -3.22 6.19 -0.35 5.45 1.01 -1.26 -4.85 116.67 119.65 2f05 s ASP 3 Ca 0.29 -1.01 0.01 0.00 0.71 0.00 0.00 52.55 52.55 2f05 s ASP 3 Cb -0.01 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.46 2f05 s ASP 3 CO 0.19 -1.78 0.12 -0.55 0.21 0.00 0.00 175.17 173.36 2f05 s SER 4 N 5.16 4.08 0.10 0.27 0.15 -1.26 -5.01 113.70 117.20 2f05 s SER 4 Ca 0.47 -1.96 -0.17 0.00 0.70 0.00 0.00 55.95 54.99 2f05 s SER 4 Cb -0.04 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 63.18 2f05 s SER 4 CO -0.01 -0.38 1.55 0.58 1.20 0.00 0.00 173.24 176.19 2f05 h VAL 5 N 6.23 1.25 0.00 4.45 2.07 -1.99 0.16 116.25 128.43 2f05 h VAL 5 Ca -0.09 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 2f05 h VAL 5 Cb 0.99 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2f05 h VAL 5 CO 0.49 0.31 -0.36 -0.33 0.02 0.00 0.00 177.57 177.69 2f05 h GLU 6 N 0.37 0.00 -0.13 1.57 5.08 -1.99 -0.04 114.58 119.44 2f05 h GLU 6 Ca 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 2f05 h GLU 6 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2f05 h GLU 6 CO 0.02 0.36 -0.69 0.35 -1.00 0.00 0.00 179.01 178.04 2f05 h PHE 7 N 0.00 0.72 -0.37 4.33 3.57 -1.88 -1.16 116.94 122.16 2f05 h PHE 7 Ca -0.00 -0.30 -0.09 0.00 3.53 0.00 0.00 57.97 61.11 2f05 h PHE 7 Cb 0.67 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2f05 h PHE 7 CO 0.00 1.07 -0.14 -0.97 -2.23 0.00 0.00 178.31 176.04 2f05 h ASN 8 N 0.38 0.64 0.00 0.41 -1.24 0.36 0.75 115.58 116.89 2f05 h ASN 8 Ca -0.02 -0.19 -0.08 0.00 0.71 0.00 0.00 56.30 56.72 2f05 h ASN 8 Cb 1.27 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.13 2f05 h ASN 8 CO 0.13 0.80 -0.22 0.78 -1.29 0.00 0.00 177.43 177.64 2f05 h ASN 9 N 0.59 0.36 -0.39 1.15 2.35 -0.79 -0.68 115.58 118.18 2f05 h ASN 9 Ca 0.10 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 2f05 h ASN 9 Cb 0.58 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2f05 h ASN 9 CO 0.04 0.59 -0.18 0.00 -1.65 0.00 0.00 177.43 176.23 2f05 h ALA 10 N 1.44 0.54 -0.88 -0.83 0.00 -0.09 -1.06 119.26 118.39 2f05 h ALA 10 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2f05 h ALA 10 Cb 0.57 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2f05 h ALA 10 CO 0.04 0.49 0.46 0.82 0.00 0.00 0.00 179.25 181.05 2f05 h ILE 11 N 0.61 1.26 -0.54 0.00 5.03 -0.48 0.42 117.51 123.81 2f05 h ILE 11 Ca 0.09 -0.67 -0.00 0.00 -0.12 0.00 0.00 64.86 64.15 2f05 h ILE 11 Cb 0.73 0.10 -0.03 0.00 -3.03 0.00 0.00 36.82 34.59 2f05 h ILE 11 CO 0.06 0.30 0.32 0.28 -0.68 0.00 0.00 178.15 178.43 2f05 h SER 12 N 1.24 0.63 -0.10 1.72 0.02 -0.83 0.58 113.55 116.80 2f05 h SER 12 Ca 0.31 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2f05 h SER 12 Cb 0.06 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 2f05 h SER 12 CO -0.05 0.48 -0.06 0.22 -1.14 0.00 0.00 176.83 176.29 2f05 h TYR 13 N 0.73 0.26 -0.04 3.45 3.20 -0.40 -2.49 116.97 121.68 2f05 h TYR 13 Ca 0.19 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2f05 h TYR 13 Cb -0.03 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 2f05 h TYR 13 CO 0.00 0.59 0.02 0.28 -1.64 0.00 0.00 178.16 177.41 2f05 h VAL 14 N -0.15 1.10 -0.62 1.81 2.07 0.57 -1.56 116.25 119.47 2f05 h VAL 14 Ca 0.02 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.32 2f05 h VAL 14 Cb 0.53 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2f05 h VAL 14 CO 0.02 0.08 0.41 -1.13 0.02 0.00 0.00 177.57 176.97 2f05 h ASN 15 N -0.05 0.53 -0.27 0.57 -0.73 0.06 0.21 115.58 115.89 2f05 h ASN 15 Ca 0.01 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 2f05 h ASN 15 Cb 0.11 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2f05 h ASN 15 CO -0.00 0.34 0.11 0.50 -0.37 0.00 0.00 177.43 178.01 2f05 h LYS 16 N 0.60 0.41 -0.12 6.67 3.64 -1.13 -1.81 116.57 124.83 2f05 h LYS 16 Ca 0.27 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2f05 h LYS 16 Cb 0.29 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2f05 h LYS 16 CO -0.08 0.44 0.08 0.82 -2.27 0.00 0.00 179.45 178.44 2f05 h ILE 17 N 0.29 1.03 -0.82 2.00 2.04 -0.03 -1.03 117.51 121.00 2f05 h ILE 17 Ca 0.09 -0.07 0.16 0.00 1.00 0.00 0.00 64.86 66.04 2f05 h ILE 17 Cb 0.18 0.87 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 2f05 h ILE 17 CO -0.01 0.03 0.37 0.11 0.00 0.00 0.00 178.15 178.66 2f05 h LYS 18 N 0.16 0.50 -0.14 2.37 1.57 -0.46 -0.03 116.57 120.53 2f05 h LYS 18 Ca 0.04 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 2f05 h LYS 18 Cb -0.01 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.19 2f05 h LYS 18 CO -0.01 0.33 -0.63 1.15 -0.57 0.00 0.00 179.45 179.73 2f05 h THR 19 N 0.52 1.32 -0.21 -0.16 2.02 -1.07 -0.77 112.91 114.55 2f05 h THR 19 Ca 0.46 -1.88 -0.09 0.00 0.77 0.00 0.00 66.41 65.67 2f05 h THR 19 Cb 0.70 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 2f05 h THR 19 CO -0.40 0.58 -0.25 0.03 0.37 0.00 0.00 175.52 175.85 2f05 h ARG 20 N 0.36 0.40 -0.41 6.66 2.47 -0.21 -2.72 114.38 120.91 2f05 h ARG 20 Ca -0.04 -0.14 -0.30 0.00 -1.26 0.00 0.00 59.98 58.24 2f05 h ARG 20 Cb 1.26 -0.03 -0.23 0.00 -1.65 0.00 0.00 29.97 29.32 2f05 h ARG 20 CO 0.13 0.62 -0.65 1.19 0.56 0.00 0.00 179.97 181.82 2f05 n PHE 21 N -4.14 1.51 -0.06 3.04 3.72 -0.12 -4.77 117.46 116.64 2f05 n PHE 21 Ca -0.01 -1.90 0.02 0.00 -0.05 0.00 0.00 57.45 55.52 2f05 n PHE 21 Cb 0.39 -0.31 0.34 0.00 -0.94 0.00 0.00 39.48 38.96 2f05 n PHE 21 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2f05 h LEU 22 N 1.64 0.59 -2.59 4.37 6.46 -0.80 -0.18 115.31 124.79 2f05 h LEU 22 Ca 0.21 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2f05 h LEU 22 Cb 1.30 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2f05 h LEU 22 CO 0.42 0.48 0.00 -0.67 -0.62 0.00 0.00 178.44 178.05 2f05 n ASP 23 N -4.41 3.80 -3.72 1.25 2.03 -1.26 -4.62 116.55 109.62 2f05 n ASP 23 Ca 0.04 -2.00 -0.28 0.00 0.52 0.00 0.00 54.79 53.08 2f05 n ASP 23 Cb 0.10 -0.41 -0.11 0.00 -0.72 0.00 0.00 41.12 39.97 2f05 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2f05 n HIS 24 N 1.62 2.07 -0.25 -0.67 8.25 -0.08 -4.97 115.22 121.19 2f05 n HIS 24 Ca 0.23 -4.02 0.02 0.00 -0.26 0.00 0.00 57.72 53.69 2f05 n HIS 24 Cb 0.62 -0.38 0.14 0.00 1.12 0.00 0.00 29.99 31.50 2f05 n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2f05 h PRO 25 N 5.35 0.56 0.00 -0.41 0.11 -1.82 -2.40 132.00 133.39 2f05 h PRO 25 Ca 0.18 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 2f05 h PRO 25 Cb 0.79 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 2f05 h PRO 25 CO 0.63 0.37 -0.02 1.05 -0.21 0.00 0.00 178.00 179.82 2f05 h GLU 26 N 0.58 0.00 -0.16 1.05 4.11 -1.93 0.20 114.58 118.43 2f05 h GLU 26 Ca 0.36 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.68 2f05 h GLU 26 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2f05 h GLU 26 CO -0.28 0.02 -0.33 0.82 0.07 0.00 0.00 179.01 179.30 2f05 h ILE 27 N 0.00 1.35 -0.07 -1.06 2.04 -1.78 0.45 117.51 118.44 2f05 h ILE 27 Ca -0.00 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 2f05 h ILE 27 Cb 0.03 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2f05 h ILE 27 CO 0.00 0.48 0.01 0.22 0.00 0.00 0.00 178.15 178.87 2f05 h TYR 28 N 0.14 0.12 -0.31 1.37 3.20 -1.42 -2.35 116.97 117.72 2f05 h TYR 28 Ca 0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2f05 h TYR 28 Cb 0.93 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 2f05 h TYR 28 CO 0.10 0.32 0.16 -0.09 -1.64 0.00 0.00 178.16 177.00 2f05 h ARG 29 N -0.12 0.45 0.00 1.82 1.12 -0.53 0.40 114.38 117.52 2f05 h ARG 29 Ca 0.02 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.74 2f05 h ARG 29 Cb 0.26 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 2f05 h ARG 29 CO 0.00 0.41 -0.43 0.77 -3.11 0.00 0.00 179.97 177.61 2f05 h SER 30 N 0.37 0.00 -0.35 -3.80 0.02 -0.13 -0.57 113.55 109.09 2f05 h SER 30 Ca 0.11 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 2f05 h SER 30 Cb 0.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2f05 h SER 30 CO -0.01 0.43 -0.43 0.15 -1.14 0.00 0.00 176.83 175.82 2f05 h PHE 31 N 0.00 1.11 -0.61 3.45 3.57 -1.02 -2.95 116.94 120.50 2f05 h PHE 31 Ca -0.00 -0.35 0.03 0.00 3.53 0.00 0.00 57.97 61.17 2f05 h PHE 31 Cb 0.79 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2f05 h PHE 31 CO 0.00 1.18 0.40 -0.07 -2.23 0.00 0.00 178.31 177.60 2f05 h LEU 32 N 0.72 0.63 -1.39 0.59 3.38 -0.34 -0.97 115.31 117.93 2f05 h LEU 32 Ca 0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2f05 h LEU 32 Cb 1.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2f05 h LEU 32 CO 0.10 0.43 -0.30 1.05 0.09 0.00 0.00 178.44 179.82 2f05 h GLU 33 N 0.73 0.00 -0.01 1.13 4.11 -0.96 0.21 114.58 119.79 2f05 h GLU 33 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.65 2f05 h GLU 33 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2f05 h GLU 33 CO -0.06 0.30 -0.07 0.82 0.07 0.00 0.00 179.01 180.07 2f05 h ILE 34 N 0.00 1.51 -0.45 -1.06 2.04 -1.05 -0.98 117.51 117.52 2f05 h ILE 34 Ca -0.00 -1.61 -0.09 0.00 1.00 0.00 0.00 64.86 64.16 2f05 h ILE 34 Cb 0.59 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 2f05 h ILE 34 CO 0.04 0.43 -0.07 0.25 0.00 0.00 0.00 178.15 178.80 2f05 h LEU 35 N -0.56 0.76 -0.25 1.44 7.12 -1.03 0.87 115.31 123.66 2f05 h LEU 35 Ca -0.00 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.78 2f05 h LEU 35 Cb 0.74 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 2f05 h LEU 35 CO 0.01 0.87 0.10 -0.74 -0.13 0.00 0.00 178.44 178.56 2f05 h HIS 36 N 0.72 0.38 -0.14 1.25 2.76 -0.61 0.02 115.15 119.53 2f05 h HIS 36 Ca 0.13 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.15 2f05 h HIS 36 Cb 0.54 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2f05 h HIS 36 CO 0.03 0.39 -0.44 0.00 -1.30 0.00 0.00 177.93 176.61 2f05 h THR 37 N 0.26 1.32 0.37 6.26 1.03 -0.88 -2.11 112.91 119.16 2f05 h THR 37 Ca 0.08 -1.60 -0.02 0.00 -0.01 0.00 0.00 66.41 64.87 2f05 h THR 37 Cb 0.17 1.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.94 2f05 h THR 37 CO -0.01 0.48 -0.18 0.22 -0.01 0.00 0.00 175.52 176.03 2f05 h TYR 38 N 0.27 -0.46 -0.50 0.00 3.20 -0.49 0.24 116.97 119.23 2f05 h TYR 38 Ca 0.02 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2f05 h TYR 38 Cb 0.88 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2f05 h TYR 38 CO 0.02 -0.27 0.33 0.37 -1.64 0.00 0.00 178.16 176.97 2f05 h GLN 39 N -0.54 0.65 -0.46 1.82 4.15 -0.87 -0.65 115.11 119.21 2f05 h GLN 39 Ca -0.05 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.24 2f05 h GLN 39 Cb 0.41 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2f05 h GLN 39 CO 0.08 0.43 -0.06 0.87 -1.93 0.00 0.00 178.83 178.22 2f05 h LYS 40 N 0.67 0.80 -0.03 1.69 6.56 -1.24 0.15 116.57 125.17 2f05 h LYS 40 Ca 0.18 -0.25 -0.09 0.00 -1.06 0.00 0.00 60.65 59.44 2f05 h LYS 40 Cb -0.08 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.49 2f05 h LYS 40 CO -0.04 0.85 -0.40 1.49 -2.06 0.00 0.00 179.45 179.29 2f05 h GLU 41 N 0.74 0.06 0.24 3.15 4.22 -0.27 -1.66 114.58 121.05 2f05 h GLU 41 Ca 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 2f05 h GLU 41 Cb 0.54 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2f05 h GLU 41 CO 0.03 0.45 -0.11 1.96 -2.18 0.00 0.00 179.01 179.16 2f05 h GLN 42 N 0.05 -0.31 -4.82 1.92 1.08 -0.54 -3.44 115.11 109.05 2f05 h GLN 42 Ca 0.00 0.02 -0.61 0.00 -1.45 0.00 0.00 58.65 56.61 2f05 h GLN 42 Cb 0.73 0.07 -0.35 0.00 -0.05 0.00 0.00 27.48 27.88 2f05 h GLN 42 CO 0.05 -0.08 -0.84 -0.51 -0.95 0.00 0.00 178.83 176.50 2f05 s LEU 43 N -8.92 1.80 -0.46 1.46 2.01 0.46 -4.88 118.68 110.14 2f05 s LEU 43 Ca -0.08 -0.49 -0.14 0.00 0.01 0.00 0.00 54.13 53.43 2f05 s LEU 43 Cb 0.00 -1.20 0.02 0.00 0.01 0.00 0.00 46.19 45.03 2f05 s LEU 43 CO 0.26 0.01 0.61 1.41 1.01 0.00 0.00 176.35 179.65 2f05 n HIS 44 N 4.34 -3.45 0.46 0.29 8.25 -1.23 -4.08 115.22 119.80 2f05 n HIS 44 Ca -0.19 1.38 0.13 0.00 -0.26 0.00 0.00 57.72 58.78 2f05 n HIS 44 Cb 0.51 -4.10 0.42 0.00 1.12 0.00 0.00 29.99 27.94 2f05 n HIS 44 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2f05 h THR 45 N 1.84 0.00 -5.08 1.59 2.02 -1.59 -3.43 112.91 108.26 2f05 h THR 45 Ca -0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2f05 h THR 45 Cb 1.00 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2f05 h THR 45 CO 0.21 0.00 -0.89 0.29 0.37 0.00 0.00 175.52 175.50 2f05 n LYS 46 N -2.49 -3.24 0.00 6.66 4.76 -1.26 -4.81 118.16 117.77 2f05 n LYS 46 Ca 0.04 2.63 0.00 0.00 -2.87 0.00 0.00 58.31 58.11 2f05 n LYS 46 Cb 0.38 -5.30 0.00 0.00 -1.84 0.00 0.00 35.03 28.27 2f05 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2f05 n GLY 47 N 0.53 -0.63 3.86 0.72 0.00 -1.26 -4.99 105.19 103.42 2f05 n GLY 47 Ca 0.02 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 2f05 n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f05 s ARG 48 N 0.00 3.82 -0.46 1.61 0.52 -1.26 -5.04 118.95 118.14 2f05 s ARG 48 Ca 0.00 0.26 -0.24 0.00 -0.52 0.00 0.00 55.73 55.22 2f05 s ARG 48 Cb 0.00 -2.98 0.03 0.00 0.52 0.00 0.00 34.95 32.52 2f05 s ARG 48 CO 0.00 0.54 0.86 -1.25 0.02 0.00 0.00 175.30 175.47 2f05 s PRO 49 N -1.93 3.48 -0.65 3.54 0.04 -1.26 -4.98 135.00 133.24 2f05 s PRO 49 Ca 0.34 0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.40 2f05 s PRO 49 Cb -0.14 -3.93 0.17 0.00 0.04 0.00 0.00 34.50 30.64 2f05 s PRO 49 CO 0.18 -1.17 0.48 0.12 0.04 0.00 0.00 177.00 176.65 2f05 s PHE 50 N 3.55 3.44 0.18 0.56 2.19 -1.26 -4.93 117.98 121.70 2f05 s PHE 50 Ca 0.34 -2.73 0.00 0.00 0.33 0.00 0.00 56.93 54.87 2f05 s PHE 50 Cb -0.11 -3.21 0.00 0.00 -1.31 0.00 0.00 43.02 38.39 2f05 s PHE 50 CO 0.25 -0.83 0.00 -2.13 1.83 0.00 0.00 175.22 174.33 2f05 n ARG 51 N 3.38 -2.11 -2.71 10.12 0.00 -1.26 -5.00 116.66 119.07 2f05 n ARG 51 Ca 0.09 1.54 -0.30 0.00 -0.00 0.00 0.00 57.85 59.18 2f05 n ARG 51 Cb 0.38 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 31.10 2f05 n ARG 51 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2f05 s GLY 52 N -1.79 1.90 -0.59 5.14 0.00 -1.26 -5.00 107.32 105.71 2f05 s GLY 52 Ca 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 44.72 44.33 2f05 s GLY 52 CO 0.00 0.03 0.86 -0.29 0.00 0.00 0.00 173.10 173.70 2f05 s MET 53 N -4.05 3.16 0.43 2.90 1.75 -1.26 -5.01 119.30 117.21 2f05 s MET 53 Ca 0.52 -0.75 -0.21 0.00 -1.25 0.00 0.00 55.69 54.00 2f05 s MET 53 Cb -0.10 -4.16 -0.11 0.00 2.84 0.00 0.00 34.83 33.30 2f05 s MET 53 CO 0.34 -1.58 0.95 -1.12 -0.65 0.00 0.00 175.02 172.97 2f05 s SER 54 N 3.26 6.93 0.57 1.11 0.01 -1.26 -4.93 113.70 119.39 2f05 s SER 54 Ca 0.22 1.71 0.33 0.00 1.31 0.00 0.00 55.95 59.51 2f05 s SER 54 Cb -0.17 -2.54 1.75 0.00 0.21 0.00 0.00 66.02 65.27 2f05 s SER 54 CO 0.12 -0.37 2.17 1.05 0.41 0.00 0.00 173.24 176.63 2f05 h GLU 55 N 1.96 0.00 -0.58 12.44 9.09 -1.98 -1.18 114.58 134.33 2f05 h GLU 55 Ca -0.49 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 58.87 2f05 h GLU 55 Cb 1.18 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.26 2f05 h GLU 55 CO 0.61 0.05 0.17 1.49 0.05 0.00 0.00 179.01 181.38 2f05 h GLU 56 N 0.00 0.91 -0.02 1.06 4.81 -1.98 0.51 114.58 119.88 2f05 h GLU 56 Ca -0.00 -0.20 -0.15 0.00 -0.13 0.00 0.00 59.36 58.88 2f05 h GLU 56 Cb 0.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2f05 h GLU 56 CO 0.01 0.82 -0.69 1.05 -0.73 0.00 0.00 179.01 179.47 2f05 h GLU 57 N 0.82 0.09 0.22 1.92 4.11 -1.62 -0.36 114.58 119.76 2f05 h GLU 57 Ca 0.19 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2f05 h GLU 57 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2f05 h GLU 57 CO -0.00 0.74 -0.10 0.28 0.07 0.00 0.00 179.01 179.99 2f05 h VAL 58 N 0.06 0.86 -0.41 -1.06 2.07 -1.16 -2.01 116.25 114.61 2f05 h VAL 58 Ca -0.01 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2f05 h VAL 58 Cb 1.22 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2f05 h VAL 58 CO 0.10 0.13 0.27 0.15 0.02 0.00 0.00 177.57 178.24 2f05 h PHE 59 N -0.59 0.42 0.16 1.57 3.57 0.17 -1.55 116.94 120.70 2f05 h PHE 59 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 59 Cb 0.43 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2f05 h PHE 59 CO 0.02 0.25 -0.08 1.15 -2.23 0.00 0.00 178.31 177.42 2f05 h THR 60 N 0.44 0.86 -0.06 4.41 2.02 -0.74 0.48 112.91 120.33 2f05 h THR 60 Ca 0.17 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.19 2f05 h THR 60 Cb 0.12 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2f05 h THR 60 CO -0.04 0.02 -0.40 -0.33 0.37 0.00 0.00 175.52 175.13 2f05 h GLU 61 N -0.24 0.13 -0.06 6.66 5.08 -0.58 0.13 114.58 125.70 2f05 h GLU 61 Ca -0.02 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 2f05 h GLU 61 Cb 0.19 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.45 2f05 h GLU 61 CO 0.04 0.51 -0.84 0.28 -1.00 0.00 0.00 179.01 178.00 2f05 h VAL 62 N 0.11 1.31 -0.05 3.13 2.07 -1.13 -0.07 116.25 121.61 2f05 h VAL 62 Ca 0.01 -2.09 -0.08 0.00 0.82 0.00 0.00 66.70 65.36 2f05 h VAL 62 Cb 0.76 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2f05 h VAL 62 CO 0.06 0.64 -0.33 0.00 0.02 0.00 0.00 177.57 177.97 2f05 h ALA 63 N 0.44 1.36 -0.03 1.67 0.00 0.27 0.81 119.26 123.78 2f05 h ALA 63 Ca -0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2f05 h ALA 63 Cb 1.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2f05 h ALA 63 CO 0.17 0.46 -0.53 -0.97 0.00 0.00 0.00 179.25 178.38 2f05 h ASN 64 N 0.09 0.08 0.16 0.00 -1.24 -0.64 -2.07 115.58 111.96 2f05 h ASN 64 Ca 0.01 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2f05 h ASN 64 Cb 0.62 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.65 2f05 h ASN 64 CO 0.05 0.60 -0.08 0.25 -1.29 0.00 0.00 177.43 176.96 2f05 h LEU 65 N 0.06 -0.18 -3.80 0.34 7.12 0.38 -3.33 115.31 115.91 2f05 h LEU 65 Ca -0.00 -0.14 -0.54 0.00 0.13 0.00 0.00 57.88 57.33 2f05 h LEU 65 Cb 0.96 0.05 -0.24 0.00 -0.53 0.00 0.00 40.66 40.90 2f05 h LEU 65 CO 0.07 0.35 0.70 0.49 -0.13 0.00 0.00 178.44 179.92 2f05 n PHE 66 N -4.91 2.62 -1.57 1.25 3.72 0.14 -4.93 117.46 113.78 2f05 n PHE 66 Ca -0.04 -2.58 -0.39 0.00 -0.05 0.00 0.00 57.45 54.39 2f05 n PHE 66 Cb 0.16 -1.24 -0.03 0.00 -0.94 0.00 0.00 39.48 37.42 2f05 n PHE 66 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2f05 n ARG 67 N -0.49 1.48 0.00 -1.08 1.85 -0.78 -0.73 116.66 116.90 2f05 n ARG 67 Ca 0.51 0.25 0.00 0.00 -1.00 0.00 0.00 57.85 57.61 2f05 n ARG 67 Cb 0.69 -3.35 0.00 0.00 -1.05 0.00 0.00 32.46 28.75 2f05 n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2f05 n GLY 68 N 5.90 3.14 3.40 2.89 0.00 -1.26 -5.03 105.19 114.23 2f05 n GLY 68 Ca 0.34 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 2f05 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f05 s GLN 69 N 0.00 4.05 0.46 1.61 -1.52 0.09 -4.82 119.66 119.53 2f05 s GLN 69 Ca 0.00 -2.75 0.15 0.00 -1.95 0.00 0.00 55.36 50.81 2f05 s GLN 69 Cb 0.00 -4.79 1.07 0.00 -0.22 0.00 0.00 33.01 29.06 2f05 s GLN 69 CO 0.00 -1.52 2.03 0.93 -0.25 0.00 0.00 175.29 176.48 2f05 h GLU 70 N 7.17 0.00 -0.14 2.91 5.08 -1.96 -2.67 114.58 124.97 2f05 h GLU 70 Ca 0.23 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2f05 h GLU 70 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2f05 h GLU 70 CO 1.10 0.14 0.04 0.22 -1.00 0.00 0.00 179.01 179.51 2f05 h ASP 71 N 0.00 0.04 -0.30 1.42 3.58 -1.95 0.10 116.42 119.32 2f05 h ASP 71 Ca -0.00 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2f05 h ASP 71 Cb 0.25 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2f05 h ASP 71 CO 0.02 0.05 0.06 -0.07 -2.88 0.00 0.00 179.24 176.41 2f05 h LEU 72 N 0.11 0.54 -0.42 2.28 3.38 -1.86 -0.77 115.31 118.57 2f05 h LEU 72 Ca 0.06 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 2f05 h LEU 72 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2f05 h LEU 72 CO -0.07 0.57 -0.61 -0.07 0.09 0.00 0.00 178.44 178.36 2f05 h LEU 73 N 0.56 0.69 -0.32 1.67 3.38 -1.24 -1.89 115.31 118.16 2f05 h LEU 73 Ca 0.13 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2f05 h LEU 73 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2f05 h LEU 73 CO 0.00 1.13 -0.08 0.28 0.09 0.00 0.00 178.44 179.86 2f05 h SER 74 N 0.45 0.63 -0.60 -0.43 0.02 -0.08 -2.44 113.55 111.10 2f05 h SER 74 Ca -0.01 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2f05 h SER 74 Cb 1.18 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 2f05 h SER 74 CO 0.12 0.85 0.33 -0.33 -1.14 0.00 0.00 176.83 176.66 2f05 h GLU 75 N 0.40 0.83 -0.93 3.45 5.08 -1.08 -2.25 114.58 120.08 2f05 h GLU 75 Ca 0.08 -0.10 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2f05 h GLU 75 Cb 0.58 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2f05 h GLU 75 CO 0.03 0.63 0.60 0.35 -1.00 0.00 0.00 179.01 179.62 2f05 h PHE 76 N 0.81 1.02 -0.85 4.33 3.57 -1.23 -1.60 116.94 122.99 2f05 h PHE 76 Ca 0.21 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2f05 h PHE 76 Cb 0.04 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.40 2f05 h PHE 76 CO -0.01 0.46 0.56 0.78 -2.23 0.00 0.00 178.31 177.87 2f05 h GLY 77 N 0.94 1.22 1.88 2.40 0.00 -0.90 -1.79 103.07 106.80 2f05 h GLY 77 Ca 0.43 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 47.14 2f05 h GLY 77 CO -0.19 0.32 -1.09 -1.61 0.00 0.00 0.00 176.54 173.97 2f05 h GLN 78 N 1.01 0.00 0.00 4.80 -0.00 -1.29 -3.18 115.11 116.45 2f05 h GLN 78 Ca 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.00 2f05 h GLN 78 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.60 2f05 h GLN 78 CO -0.12 0.94 0.00 0.74 0.00 0.00 0.00 178.83 180.40 2f05 h PHE 79 N 0.00 0.00 -4.22 3.99 0.04 -0.88 -3.44 116.94 112.43 2f05 h PHE 79 Ca -0.04 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.25 2f05 h PHE 79 Cb 1.80 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.98 2f05 h PHE 79 CO 0.00 0.00 0.38 -0.51 -0.60 0.00 0.00 178.31 177.58 2f05 s LEU 80 N -6.10 3.55 0.14 1.54 1.43 -0.73 -4.98 118.68 113.53 2f05 s LEU 80 Ca 0.03 1.54 -0.35 0.00 -1.03 0.00 0.00 54.13 54.32 2f05 s LEU 80 Cb 0.08 -4.50 -0.15 0.00 0.03 0.00 0.00 46.19 41.65 2f05 s LEU 80 CO 0.57 -0.64 1.42 -0.81 0.23 0.00 0.00 176.35 177.13 2f05 n PRO 81 N -1.79 1.64 -0.85 1.29 -0.04 -1.26 -4.82 135.00 129.16 2f05 n PRO 81 Ca 0.06 0.59 -0.26 0.00 -0.04 0.00 0.00 63.50 63.86 2f05 n PRO 81 Cb 0.54 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.71 2f05 n PRO 81 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2f05 n GLU 82 N 2.75 2.36 0.22 0.54 0.00 -1.26 -4.59 120.64 120.66 2f05 n GLU 82 Ca 0.17 -1.60 0.10 0.00 0.00 0.00 0.00 57.16 55.82 2f05 n GLU 82 Cb 0.25 -2.53 0.40 0.00 0.00 0.00 0.00 31.44 29.56 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2f05 h ALA 83 N 6.12 0.97 0.00 -1.84 0.00 -1.98 -2.96 119.26 119.57 2f05 h ALA 83 Ca 0.56 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 2f05 h ALA 83 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2f05 h ALA 83 CO 1.52 0.27 -0.42 0.87 0.00 0.00 0.00 179.25 181.49 2f05 h LYS 84 N 0.00 0.00 -0.01 0.00 1.79 -2.00 -3.55 116.57 112.80 2f05 h LYS 84 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2f05 h LYS 84 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2f05 h LYS 84 CO 0.03 0.42 0.00 -2.13 -1.08 0.00 0.00 179.45 176.69