#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 4.53 0.29 1.62 0.01 -1.26 -5.08 113.70 113.80 2f05 s SER 2 Ca 0.00 0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.29 2f05 s SER 2 Cb 0.00 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2f05 s SER 2 CO 0.00 -1.74 0.48 -0.62 0.41 0.00 0.00 173.24 171.77 2f05 s ASP 3 N -4.63 6.34 -1.17 2.44 2.15 -1.26 -5.00 116.67 115.55 2f05 s ASP 3 Ca 0.63 0.43 -0.18 0.00 0.43 0.00 0.00 52.55 53.86 2f05 s ASP 3 Cb -0.08 -2.02 0.10 0.00 -0.30 0.00 0.00 42.92 40.62 2f05 s ASP 3 CO 0.44 -0.18 1.53 -0.44 -0.17 0.00 0.00 175.17 176.34 2f05 s SER 4 N -3.66 6.81 0.05 -0.34 0.01 -1.26 -4.81 113.70 110.49 2f05 s SER 4 Ca 0.39 -2.35 -0.24 0.00 1.31 0.00 0.00 55.95 55.07 2f05 s SER 4 Cb -0.10 -2.51 -0.17 0.00 0.21 0.00 0.00 66.02 63.45 2f05 s SER 4 CO 0.32 -1.11 1.56 0.58 0.41 0.00 0.00 173.24 175.00 2f05 h VAL 5 N 5.61 1.12 -0.14 3.43 2.07 -1.99 -0.15 116.25 126.20 2f05 h VAL 5 Ca 0.33 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2f05 h VAL 5 Cb 0.92 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2f05 h VAL 5 CO 1.35 0.11 -0.26 -0.33 0.02 0.00 0.00 177.57 178.46 2f05 h GLU 6 N -0.21 0.26 -0.40 1.57 4.39 -1.99 -0.89 114.58 117.31 2f05 h GLU 6 Ca -0.00 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2f05 h GLU 6 Cb 0.20 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2f05 h GLU 6 CO 0.00 0.51 0.06 0.35 -1.16 0.00 0.00 179.01 178.77 2f05 h PHE 7 N 0.23 0.72 -0.70 4.33 3.57 -1.91 0.26 116.94 123.44 2f05 h PHE 7 Ca 0.04 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2f05 h PHE 7 Cb 0.59 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2f05 h PHE 7 CO 0.01 0.71 0.39 -0.91 -2.23 0.00 0.00 178.31 176.27 2f05 h ASN 8 N 0.52 0.86 -0.76 0.41 2.35 -0.10 0.58 115.58 119.44 2f05 h ASN 8 Ca 0.12 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2f05 h ASN 8 Cb 0.38 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 2f05 h ASN 8 CO 0.01 0.69 0.42 0.78 -1.65 0.00 0.00 177.43 177.68 2f05 h ASN 9 N 0.97 0.95 -0.33 5.81 2.35 -0.79 -0.01 115.58 124.54 2f05 h ASN 9 Ca 0.25 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 2f05 h ASN 9 Cb 0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2f05 h ASN 9 CO -0.04 0.77 0.03 0.00 -1.65 0.00 0.00 177.43 176.54 2f05 h ALA 10 N 1.22 0.44 -0.18 -0.83 0.00 0.41 -2.98 119.26 117.34 2f05 h ALA 10 Ca 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2f05 h ALA 10 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2f05 h ALA 10 CO -0.04 0.16 0.09 0.82 0.00 0.00 0.00 179.25 180.28 2f05 h ILE 11 N 0.38 1.06 -0.90 0.00 1.08 0.63 -0.52 117.51 119.24 2f05 h ILE 11 Ca 0.10 -0.16 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 2f05 h ILE 11 Cb 0.39 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 2f05 h ILE 11 CO 0.01 0.07 0.59 0.28 -0.69 0.00 0.00 178.15 178.41 2f05 h SER 12 N 0.24 0.99 0.73 1.72 0.02 -0.85 0.68 113.55 117.10 2f05 h SER 12 Ca 0.06 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.79 2f05 h SER 12 Cb 0.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2f05 h SER 12 CO -0.01 0.69 -0.99 1.88 -1.14 0.00 0.00 176.83 177.26 2f05 h TYR 13 N 1.16 0.23 -0.36 3.45 -1.99 -1.21 -1.90 116.97 116.35 2f05 h TYR 13 Ca 0.35 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.90 2f05 h TYR 13 Cb -0.04 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 2f05 h TYR 13 CO -0.01 1.04 0.07 0.28 -0.00 0.00 0.00 178.16 179.54 2f05 h VAL 14 N 0.06 1.23 -0.68 -2.88 2.07 -0.45 -0.28 116.25 115.33 2f05 h VAL 14 Ca -0.05 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2f05 h VAL 14 Cb 1.68 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 2f05 h VAL 14 CO 0.15 0.27 0.40 -1.13 0.02 0.00 0.00 177.57 177.28 2f05 h ASN 15 N 0.44 0.81 -0.45 0.57 -0.73 0.35 0.21 115.58 116.77 2f05 h ASN 15 Ca 0.11 -0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.20 2f05 h ASN 15 Cb 0.33 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 2f05 h ASN 15 CO 0.00 0.63 0.14 0.50 -0.37 0.00 0.00 177.43 178.34 2f05 h LYS 16 N 0.93 0.70 -0.20 6.67 3.64 -0.93 0.66 116.57 128.04 2f05 h LYS 16 Ca 0.24 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2f05 h LYS 16 Cb -0.02 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2f05 h LYS 16 CO -0.04 0.68 0.12 0.82 -2.27 0.00 0.00 179.45 178.75 2f05 h ILE 17 N 0.59 1.03 -0.67 2.00 2.04 0.03 0.13 117.51 122.66 2f05 h ILE 17 Ca 0.15 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 66.01 2f05 h ILE 17 Cb 0.27 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2f05 h ILE 17 CO -0.00 0.05 0.32 0.11 0.00 0.00 0.00 178.15 178.62 2f05 h LYS 18 N 0.25 0.54 -0.20 2.37 1.57 -0.26 -1.75 116.57 119.08 2f05 h LYS 18 Ca 0.08 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2f05 h LYS 18 Cb -0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2f05 h LYS 18 CO -0.03 0.35 -0.28 1.15 -0.57 0.00 0.00 179.45 180.07 2f05 h THR 19 N 0.55 1.33 0.00 -0.16 2.02 -0.55 -0.04 112.91 116.06 2f05 h THR 19 Ca 0.33 -1.49 -0.04 0.00 0.77 0.00 0.00 66.41 65.98 2f05 h THR 19 Cb 0.35 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2f05 h THR 19 CO -0.27 0.46 -0.21 0.03 0.37 0.00 0.00 175.52 175.89 2f05 h ARG 20 N 0.22 0.00 -0.36 6.66 2.47 -0.34 -2.46 114.38 120.57 2f05 h ARG 20 Ca 0.02 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.47 2f05 h ARG 20 Cb 0.86 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 28.88 2f05 h ARG 20 CO 0.07 0.21 -0.83 1.19 0.56 0.00 0.00 179.97 181.17 2f05 n PHE 21 N -3.79 1.25 0.02 3.04 3.72 -0.70 -4.82 117.46 116.18 2f05 n PHE 21 Ca -0.02 -1.73 0.02 0.00 -0.05 0.00 0.00 57.45 55.67 2f05 n PHE 21 Cb 0.32 -0.26 0.37 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 1.76 0.44 -1.56 4.37 6.46 -0.49 0.14 115.31 126.41 2f05 h LEU 22 Ca 0.07 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2f05 h LEU 22 Cb 1.39 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2f05 h LEU 22 CO 0.33 0.43 0.00 -0.67 -0.62 0.00 0.00 178.44 177.91 2f05 n ASP 23 N -4.37 2.34 -3.44 1.25 2.03 -1.26 -4.45 116.55 108.65 2f05 n ASP 23 Ca 0.02 -1.82 -0.27 0.00 0.52 0.00 0.00 54.79 53.24 2f05 n ASP 23 Cb 0.17 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.77 0.18 0.20 -0.67 8.25 0.04 -4.95 115.22 119.03 2f05 n HIS 24 Ca 0.17 -3.58 0.17 0.00 -0.26 0.00 0.00 57.72 54.22 2f05 n HIS 24 Cb 0.44 -0.05 0.82 0.00 1.12 0.00 0.00 29.99 32.31 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 5.19 0.00 -0.94 -0.41 0.11 -1.78 -1.77 132.00 132.41 2f05 h PRO 25 Ca 0.21 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.43 2f05 h PRO 25 Cb 0.86 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.90 2f05 h PRO 25 CO 0.48 0.00 0.60 1.05 -0.21 0.00 0.00 178.00 179.92 2f05 h GLU 26 N 0.00 0.89 -0.21 1.05 4.11 -1.92 0.21 114.58 118.71 2f05 h GLU 26 Ca 0.09 -0.05 -0.18 0.00 0.07 0.00 0.00 59.36 59.28 2f05 h GLU 26 Cb 0.50 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2f05 h GLU 26 CO -0.00 0.59 -0.58 0.82 0.07 0.00 0.00 179.01 179.90 2f05 h ILE 27 N 0.91 1.29 -0.05 -1.06 2.04 -1.65 0.23 117.51 119.23 2f05 h ILE 27 Ca 0.45 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 2f05 h ILE 27 Cb 0.47 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2f05 h ILE 27 CO -0.21 0.57 0.02 0.22 0.00 0.00 0.00 178.15 178.74 2f05 h TYR 28 N 0.50 0.07 -0.47 1.37 3.20 -1.45 -2.34 116.97 117.86 2f05 h TYR 28 Ca -0.01 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2f05 h TYR 28 Cb 1.20 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 2f05 h TYR 28 CO 0.09 0.23 0.09 0.00 -1.64 0.00 0.00 178.16 176.93 2f05 h ARG 29 N -0.11 0.76 -0.08 1.82 3.08 -0.49 -0.77 114.38 118.59 2f05 h ARG 29 Ca 0.01 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 2f05 h ARG 29 Cb 0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2f05 h ARG 29 CO -0.00 0.76 -0.18 1.03 -1.07 0.00 0.00 179.97 180.51 2f05 h SER 30 N 0.63 0.12 0.04 7.04 0.87 -0.53 -1.99 113.55 119.73 2f05 h SER 30 Ca 0.14 -0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.46 2f05 h SER 30 Cb 0.36 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2f05 h SER 30 CO 0.01 0.31 -0.84 0.15 -0.53 0.00 0.00 176.83 175.92 2f05 h PHE 31 N 0.12 0.89 -0.42 2.24 3.57 -1.00 -3.20 116.94 119.13 2f05 h PHE 31 Ca 0.02 -0.42 0.12 0.00 3.53 0.00 0.00 57.97 61.22 2f05 h PHE 31 Cb 0.39 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2f05 h PHE 31 CO 0.00 1.24 0.32 -0.07 -2.23 0.00 0.00 178.31 177.57 2f05 h LEU 32 N 0.41 0.00 -0.32 0.59 3.38 -0.39 0.38 115.31 119.36 2f05 h LEU 32 Ca -0.07 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2f05 h LEU 32 Cb 1.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 2f05 h LEU 32 CO 0.16 0.00 -0.00 -0.33 0.09 0.00 0.00 178.44 178.36 2f05 h GLU 33 N 0.00 0.09 -0.33 1.13 4.39 -1.49 -0.65 114.58 117.72 2f05 h GLU 33 Ca 0.20 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2f05 h GLU 33 Cb 0.85 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2f05 h GLU 33 CO -0.00 0.06 0.13 0.82 -1.16 0.00 0.00 179.01 178.86 2f05 h ILE 34 N 0.09 1.18 -0.12 3.13 5.03 -1.06 0.44 117.51 126.20 2f05 h ILE 34 Ca 0.16 -0.56 -0.12 0.00 -0.12 0.00 0.00 64.86 64.22 2f05 h ILE 34 Cb 0.21 0.94 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 2f05 h ILE 34 CO -0.26 0.19 -0.46 -0.07 -0.68 0.00 0.00 178.15 176.87 2f05 h LEU 35 N 0.38 0.32 -0.07 1.44 -0.00 -1.33 0.61 115.31 116.67 2f05 h LEU 35 Ca 0.11 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 2f05 h LEU 35 Cb 0.18 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2f05 h LEU 35 CO -0.01 0.74 0.00 -0.74 -0.00 0.00 0.00 178.44 178.43 2f05 h HIS 36 N 0.24 0.13 -0.41 1.13 2.76 -0.89 -3.07 115.15 115.04 2f05 h HIS 36 Ca 0.01 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2f05 h HIS 36 Cb 0.92 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 2f05 h HIS 36 CO 0.02 0.39 0.22 1.15 -1.30 0.00 0.00 177.93 178.41 2f05 h THR 37 N -0.17 1.01 -0.30 6.26 2.02 -0.65 -3.08 112.91 117.99 2f05 h THR 37 Ca 0.02 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.08 2f05 h THR 37 Cb 0.34 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2f05 h THR 37 CO 0.00 0.08 0.07 0.22 0.37 0.00 0.00 175.52 176.27 2f05 h TYR 38 N 0.45 0.12 -0.30 3.16 3.20 0.29 0.43 116.97 124.32 2f05 h TYR 38 Ca 0.17 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2f05 h TYR 38 Cb 0.04 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2f05 h TYR 38 CO -0.08 0.03 -0.30 1.96 -1.64 0.00 0.00 178.16 178.13 2f05 h GLN 39 N 0.18 0.62 -0.08 1.82 4.20 -1.56 -2.59 115.11 117.70 2f05 h GLN 39 Ca 0.14 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 2f05 h GLN 39 Cb 0.14 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2f05 h GLN 39 CO -0.18 0.85 -0.12 -0.22 -0.67 0.00 0.00 178.83 178.49 2f05 h LYS 40 N 0.53 0.23 -0.91 1.46 3.11 -1.27 -3.10 116.57 116.62 2f05 h LYS 40 Ca 0.07 -0.13 0.07 0.00 -2.81 0.00 0.00 60.65 57.84 2f05 h LYS 40 Cb 0.78 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.96 2f05 h LYS 40 CO 0.06 0.69 0.59 0.93 -2.81 0.00 0.00 179.45 178.91 2f05 h GLU 41 N -0.22 0.98 -0.01 1.90 4.39 -0.05 0.23 114.58 121.81 2f05 h GLU 41 Ca 0.01 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 2f05 h GLU 41 Cb 0.67 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2f05 h GLU 41 CO 0.03 0.65 -0.58 1.96 -1.16 0.00 0.00 179.01 179.91 2f05 h GLN 42 N 1.01 0.04 0.00 2.33 1.08 -1.52 -3.40 115.11 114.65 2f05 h GLN 42 Ca 0.39 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2f05 h GLN 42 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2f05 h GLN 42 CO -0.15 0.61 -0.68 1.28 -0.95 0.00 0.00 178.83 178.93 2f05 n LEU 43 N -3.86 1.37 -4.08 1.46 7.99 -0.56 -5.04 117.00 114.28 2f05 n LEU 43 Ca -0.01 0.23 -0.22 0.00 -0.01 0.00 0.00 56.01 56.00 2f05 n LEU 43 Cb 0.59 -0.65 -0.15 0.00 -0.11 0.00 0.00 43.42 43.10 2f05 n LEU 43 CO 0.42 -0.35 -0.46 -1.00 -1.51 0.00 0.00 177.39 174.48 2f05 s HIS 44 N -2.34 1.18 -0.13 -1.77 3.76 0.69 -4.91 115.29 111.77 2f05 s HIS 44 Ca -0.20 -0.25 -0.12 0.00 -0.15 0.00 0.00 55.06 54.34 2f05 s HIS 44 Cb 0.03 -0.78 0.03 0.00 1.11 0.00 0.00 32.58 32.98 2f05 s HIS 44 CO 0.29 -0.05 0.35 0.99 -0.85 0.00 0.00 174.74 175.48 2f05 s THR 45 N -0.19 -0.00 -0.03 1.30 2.01 -1.26 -4.28 115.64 113.19 2f05 s THR 45 Ca 0.03 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 2f05 s THR 45 Cb -0.06 -0.49 -0.07 0.00 0.01 0.00 0.00 72.50 71.88 2f05 s THR 45 CO -0.00 0.00 1.85 -0.75 -0.69 0.00 0.00 174.62 175.03 2f05 s LYS 46 N 0.23 4.06 0.00 4.92 2.47 -1.26 -3.73 119.74 126.43 2f05 s LYS 46 Ca -0.00 2.37 0.00 0.00 -1.56 0.00 0.00 55.97 56.77 2f05 s LYS 46 Cb -0.03 -4.11 0.00 0.00 -1.46 0.00 0.00 37.83 32.24 2f05 s LYS 46 CO 0.00 -1.02 0.00 0.41 0.16 0.00 0.00 175.35 174.90 2f05 n GLY 47 N 4.49 0.99 2.88 5.54 0.00 -1.26 -4.84 105.19 112.99 2f05 n GLY 47 Ca 0.20 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 2f05 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f05 s ARG 48 N 0.00 0.20 -0.43 1.61 6.06 -1.24 -5.09 118.95 120.05 2f05 s ARG 48 Ca 0.00 -0.03 -0.28 0.00 -2.50 0.00 0.00 55.73 52.92 2f05 s ARG 48 Cb 0.00 -0.26 -0.01 0.00 0.06 0.00 0.00 34.95 34.74 2f05 s ARG 48 CO 0.00 -0.01 1.69 -2.14 -2.50 0.00 0.00 175.30 172.34 2f05 s PRO 49 N 0.28 3.23 -0.25 5.12 0.02 -1.26 -4.86 135.00 137.29 2f05 s PRO 49 Ca -0.02 1.05 -0.04 0.00 0.02 0.00 0.00 61.00 62.01 2f05 s PRO 49 Cb -0.05 -4.19 0.08 0.00 0.02 0.00 0.00 34.50 30.36 2f05 s PRO 49 CO -0.01 -1.99 0.11 0.12 -0.33 0.00 0.00 177.00 174.91 2f05 s PHE 50 N 6.95 0.36 -0.96 6.54 5.36 -1.26 -4.91 117.98 130.06 2f05 s PHE 50 Ca 0.70 -0.72 -0.08 0.00 -0.96 0.00 0.00 56.93 55.87 2f05 s PHE 50 Cb -0.17 -0.86 -0.02 0.00 -0.34 0.00 0.00 43.02 41.62 2f05 s PHE 50 CO 0.30 -0.71 0.78 0.54 -1.46 0.00 0.00 175.22 174.67 2f05 n ARG 51 N 5.24 -1.57 0.00 10.12 5.12 -1.26 -5.02 116.66 129.28 2f05 n ARG 51 Ca -0.06 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2f05 n ARG 51 Cb 0.45 -4.90 0.00 0.00 -1.16 0.00 0.00 32.46 26.85 2f05 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f05 n GLY 52 N -1.58 0.93 3.47 -0.13 0.00 -1.26 -4.90 105.19 101.72 2f05 n GLY 52 Ca -0.08 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 2f05 n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2f05 s MET 53 N 2.11 3.21 0.49 1.61 1.75 -1.26 -5.00 119.30 122.21 2f05 s MET 53 Ca 0.00 -0.88 -0.08 0.00 -1.25 0.00 0.00 55.69 53.48 2f05 s MET 53 Cb 0.00 -4.37 -0.04 0.00 2.84 0.00 0.00 34.83 33.25 2f05 s MET 53 CO 0.00 -1.88 0.83 -1.12 -0.65 0.00 0.00 175.02 172.19 2f05 s SER 54 N 3.76 6.33 0.28 1.11 0.01 -1.26 -4.76 113.70 119.17 2f05 s SER 54 Ca 0.27 1.07 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 2f05 s SER 54 Cb -0.13 -2.31 0.64 0.00 0.21 0.00 0.00 66.02 64.43 2f05 s SER 54 CO 0.07 -0.58 1.62 -0.08 0.41 0.00 0.00 173.24 174.68 2f05 h GLU 55 N 0.41 0.10 -0.36 12.44 4.81 -1.98 0.21 114.58 130.21 2f05 h GLU 55 Ca -0.46 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.62 2f05 h GLU 55 Cb 1.20 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2f05 h GLU 55 CO 0.62 0.07 -0.30 0.93 -0.73 0.00 0.00 179.01 179.60 2f05 h GLU 56 N 0.11 0.84 0.00 1.92 5.08 -1.99 -1.16 114.58 119.38 2f05 h GLU 56 Ca 0.52 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2f05 h GLU 56 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2f05 h GLU 56 CO -0.75 1.06 0.00 1.05 -1.00 0.00 0.00 179.01 179.37 2f05 h GLU 57 N 0.63 0.00 0.10 2.33 4.11 -1.40 -1.91 114.58 118.44 2f05 h GLU 57 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 2f05 h GLU 57 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2f05 h GLU 57 CO 0.08 0.00 -0.05 0.28 0.07 0.00 0.00 179.01 179.39 2f05 h VAL 58 N 0.00 1.01 -0.75 -1.06 2.07 -0.44 -2.95 116.25 114.13 2f05 h VAL 58 Ca 0.00 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.21 2f05 h VAL 58 Cb 0.92 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2f05 h VAL 58 CO 0.00 0.10 0.49 0.15 0.02 0.00 0.00 177.57 178.33 2f05 h PHE 59 N -0.31 0.75 -0.25 1.57 3.57 -0.77 -2.14 116.94 119.36 2f05 h PHE 59 Ca -0.01 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2f05 h PHE 59 Cb 0.26 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 2f05 h PHE 59 CO -0.01 0.38 -0.08 1.15 -2.23 0.00 0.00 178.31 177.51 2f05 h THR 60 N 0.72 0.72 -0.27 4.41 2.02 -1.19 0.22 112.91 119.54 2f05 h THR 60 Ca 0.33 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.39 2f05 h THR 60 Cb 0.36 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2f05 h THR 60 CO -0.12 0.00 -0.33 -0.33 0.37 0.00 0.00 175.52 175.11 2f05 h GLU 61 N -0.02 0.58 -0.23 6.66 4.39 -1.29 0.20 114.58 124.86 2f05 h GLU 61 Ca 0.12 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 2f05 h GLU 61 Cb 0.21 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2f05 h GLU 61 CO -0.27 0.84 -0.30 0.28 -1.16 0.00 0.00 179.01 178.40 2f05 h VAL 62 N 0.49 1.32 -0.01 3.13 2.07 -1.30 0.13 116.25 122.08 2f05 h VAL 62 Ca 0.06 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 2f05 h VAL 62 Cb 0.82 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2f05 h VAL 62 CO 0.07 0.47 -0.35 0.00 0.02 0.00 0.00 177.57 177.77 2f05 h ALA 63 N 0.65 1.40 -0.20 1.67 0.00 -0.33 0.68 119.26 123.13 2f05 h ALA 63 Ca 0.03 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2f05 h ALA 63 Cb 0.88 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2f05 h ALA 63 CO 0.07 0.45 -0.46 -0.97 0.00 0.00 0.00 179.25 178.34 2f05 h ASN 64 N 0.02 0.55 0.33 0.00 -1.24 -0.35 -1.39 115.58 113.49 2f05 h ASN 64 Ca -0.00 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 56.73 2f05 h ASN 64 Cb 0.63 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.53 2f05 h ASN 64 CO 0.05 0.93 -0.16 0.25 -1.29 0.00 0.00 177.43 177.21 2f05 h LEU 65 N 0.41 -0.38 -3.99 0.34 7.12 0.02 -3.34 115.31 115.50 2f05 h LEU 65 Ca 0.03 -0.10 -0.66 0.00 0.13 0.00 0.00 57.88 57.27 2f05 h LEU 65 Cb 0.97 0.10 -0.29 0.00 -0.53 0.00 0.00 40.66 40.91 2f05 h LEU 65 CO 0.09 0.08 0.85 0.49 -0.13 0.00 0.00 178.44 179.82 2f05 n PHE 66 N -5.08 3.19 -2.01 1.25 3.72 0.16 -4.97 117.46 113.72 2f05 n PHE 66 Ca -0.07 -2.91 -0.41 0.00 -0.05 0.00 0.00 57.45 54.00 2f05 n PHE 66 Cb 0.24 -1.41 -0.02 0.00 -0.94 0.00 0.00 39.48 37.35 2f05 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2f05 s ARG 67 N -3.75 4.27 0.00 -1.08 1.70 -0.53 -1.58 118.95 117.99 2f05 s ARG 67 Ca 0.64 2.31 0.00 0.00 -0.47 0.00 0.00 55.73 58.21 2f05 s ARG 67 Cb 0.50 -3.08 0.00 0.00 -0.57 0.00 0.00 34.95 31.80 2f05 s ARG 67 CO 0.00 -0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.26 2f05 n GLY 68 N 1.60 3.00 2.54 3.88 0.00 -1.26 -4.89 105.19 110.06 2f05 n GLY 68 Ca 0.04 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 2f05 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f05 n GLN 69 N 0.00 3.94 0.32 1.61 1.13 -0.62 -4.68 117.38 119.09 2f05 n GLN 69 Ca 0.00 -3.01 0.21 0.00 -1.94 0.00 0.00 57.00 52.25 2f05 n GLN 69 Cb 0.00 -2.82 1.05 0.00 0.11 0.00 0.00 30.24 28.59 2f05 n GLN 69 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2f05 h GLU 70 N 5.11 0.00 -0.60 -1.09 5.08 -1.91 -1.98 114.58 119.19 2f05 h GLU 70 Ca 0.68 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.02 2f05 h GLU 70 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2f05 h GLU 70 CO 1.65 0.01 0.30 0.22 -1.00 0.00 0.00 179.01 180.19 2f05 h ASP 71 N 0.00 0.78 0.08 1.42 3.58 -1.93 0.29 116.42 120.65 2f05 h ASP 71 Ca -0.00 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.22 2f05 h ASP 71 Cb 0.14 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2f05 h ASP 71 CO 0.00 0.68 -0.35 -0.07 -2.88 0.00 0.00 179.24 176.62 2f05 h LEU 72 N 0.82 0.38 -0.25 2.28 3.38 -1.73 -2.85 115.31 117.35 2f05 h LEU 72 Ca 0.21 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 2f05 h LEU 72 Cb 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2f05 h LEU 72 CO -0.03 0.71 -0.89 -0.07 0.09 0.00 0.00 178.44 178.25 2f05 h LEU 73 N 0.32 0.41 -0.38 1.67 3.38 -1.33 -2.39 115.31 116.99 2f05 h LEU 73 Ca 0.04 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2f05 h LEU 73 Cb 0.77 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2f05 h LEU 73 CO 0.06 1.11 0.09 -1.28 0.09 0.00 0.00 178.44 178.52 2f05 h SER 74 N 0.18 0.57 0.39 -0.43 0.87 -0.27 -2.80 113.55 112.07 2f05 h SER 74 Ca -0.06 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2f05 h SER 74 Cb 1.52 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2f05 h SER 74 CO 0.15 0.66 -0.06 -0.62 -0.53 0.00 0.00 176.83 176.42 2f05 n GLU 75 N -4.59 0.64 0.17 2.24 -0.58 -1.09 -3.24 120.64 114.19 2f05 n GLU 75 Ca -0.01 -0.15 0.02 0.00 -0.42 0.00 0.00 57.16 56.61 2f05 n GLU 75 Cb 0.20 -1.50 0.36 0.00 -0.57 0.00 0.00 31.44 29.93 2f05 n GLU 75 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2f05 h PHE 76 N 0.36 0.07 -0.04 -0.32 3.57 -1.14 0.18 116.94 119.61 2f05 h PHE 76 Ca 0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 2f05 h PHE 76 Cb 0.31 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2f05 h PHE 76 CO 0.00 0.38 -0.54 0.78 -2.23 0.00 0.00 178.31 176.70 2f05 h GLY 77 N 1.02 0.13 0.74 2.40 0.00 -1.68 -0.75 103.07 104.93 2f05 h GLY 77 Ca 0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 2f05 h GLY 77 CO 0.04 0.14 -0.44 -1.61 0.00 0.00 0.00 176.54 174.67 2f05 h GLN 78 N 0.10 0.39 -0.32 4.80 5.75 -1.61 -3.34 115.11 120.88 2f05 h GLN 78 Ca -0.00 -0.35 -0.03 0.00 -0.15 0.00 0.00 58.65 58.11 2f05 h GLN 78 Cb 0.98 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 2f05 h GLN 78 CO 0.08 1.00 0.07 0.35 -2.65 0.00 0.00 178.83 177.68 2f05 h PHE 79 N -0.10 0.55 -4.10 3.99 3.57 -0.85 -3.45 116.94 116.54 2f05 h PHE 79 Ca -0.04 -0.07 -0.53 0.00 3.53 0.00 0.00 57.97 60.87 2f05 h PHE 79 Cb 1.12 -0.15 0.11 0.00 2.79 0.00 0.00 35.95 39.82 2f05 h PHE 79 CO 0.13 0.57 0.46 -0.51 -2.23 0.00 0.00 178.31 176.74 2f05 s LEU 80 N -9.63 3.65 -0.35 0.59 1.43 -0.30 -4.93 118.68 109.14 2f05 s LEU 80 Ca -0.13 2.35 -0.28 0.00 -1.03 0.00 0.00 54.13 55.04 2f05 s LEU 80 Cb 0.09 -4.60 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 2f05 s LEU 80 CO 0.75 -1.59 1.82 -2.16 0.23 0.00 0.00 176.35 175.40 2f05 s PRO 81 N -3.38 3.28 -1.76 1.29 0.04 -1.26 -3.68 135.00 129.52 2f05 s PRO 81 Ca 0.77 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2f05 s PRO 81 Cb -0.29 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2f05 s PRO 81 CO 0.33 -1.93 0.00 0.39 0.04 0.00 0.00 177.00 175.83 2f05 n GLU 82 N 8.48 -1.20 0.14 4.56 1.02 -1.26 -4.86 120.64 127.53 2f05 n GLU 82 Ca 0.23 1.07 0.12 0.00 -0.02 0.00 0.00 57.16 58.56 2f05 n GLU 82 Cb 0.47 -5.31 0.52 0.00 -0.02 0.00 0.00 31.44 27.10 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f05 n ALA 83 N 1.00 1.55 0.28 0.62 0.00 -1.24 -2.95 120.51 119.76 2f05 n ALA 83 Ca -0.17 0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.55 2f05 n ALA 83 Cb 0.57 -1.38 0.84 0.00 0.00 0.00 0.00 19.45 19.47 2f05 n ALA 83 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2f05 h LYS 84 N 0.00 0.00 -0.01 0.00 1.57 -1.88 -3.48 116.57 112.78 2f05 h LYS 84 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f05 h LYS 84 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2f05 h LYS 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42