#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 n SER 2 N 0.00 0.00 -4.75 1.62 7.64 -1.26 -5.12 113.62 111.75 2f05 n SER 2 Ca 0.00 -0.50 -0.41 0.00 1.01 0.00 0.00 58.87 58.97 2f05 n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2f05 n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2f05 s ASP 3 N 0.50 6.78 -0.33 6.43 2.15 -1.26 -4.98 116.67 125.96 2f05 s ASP 3 Ca 0.00 2.60 -0.01 0.00 0.43 0.00 0.00 52.55 55.57 2f05 s ASP 3 Cb 0.00 -2.63 0.12 0.00 -0.30 0.00 0.00 42.92 40.10 2f05 s ASP 3 CO 0.00 -0.57 0.16 -0.94 -0.17 0.00 0.00 175.17 173.64 2f05 s SER 4 N -0.03 3.56 0.01 -0.34 1.04 -1.26 -4.99 113.70 111.68 2f05 s SER 4 Ca 0.54 -1.82 -0.21 0.00 0.48 0.00 0.00 55.95 54.94 2f05 s SER 4 Cb -0.39 -0.61 -0.19 0.00 0.10 0.00 0.00 66.02 64.93 2f05 s SER 4 CO 0.46 -0.37 1.21 0.58 0.98 0.00 0.00 173.24 176.10 2f05 h VAL 5 N 5.91 1.42 -0.66 5.02 2.07 -1.98 0.18 116.25 128.20 2f05 h VAL 5 Ca -0.09 -1.62 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 2f05 h VAL 5 Cb 0.99 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 2f05 h VAL 5 CO 0.41 0.46 0.15 -0.33 0.02 0.00 0.00 177.57 178.29 2f05 h GLU 6 N -0.17 1.05 -0.04 1.57 5.08 -1.99 -0.80 114.58 119.28 2f05 h GLU 6 Ca -0.01 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2f05 h GLU 6 Cb 0.88 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2f05 h GLU 6 CO 0.05 0.94 0.02 0.35 -1.00 0.00 0.00 179.01 179.37 2f05 h PHE 7 N 1.00 0.06 -0.70 4.33 3.57 -1.97 0.06 116.94 123.29 2f05 h PHE 7 Ca 0.21 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.81 2f05 h PHE 7 Cb 0.37 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 2f05 h PHE 7 CO 0.03 0.19 0.30 -0.97 -2.23 0.00 0.00 178.31 175.63 2f05 h ASN 8 N -0.09 0.33 -0.70 0.41 -0.73 -0.11 0.72 115.58 115.42 2f05 h ASN 8 Ca 0.01 0.08 -0.07 0.00 1.87 0.00 0.00 56.30 58.20 2f05 h ASN 8 Cb 0.16 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 2f05 h ASN 8 CO -0.00 0.18 0.17 0.78 -0.37 0.00 0.00 177.43 178.18 2f05 h ASN 9 N 0.50 1.06 -0.60 1.15 2.35 -0.96 0.11 115.58 119.18 2f05 h ASN 9 Ca 0.36 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2f05 h ASN 9 Cb 0.45 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 2f05 h ASN 9 CO -0.32 1.02 0.20 0.00 -1.65 0.00 0.00 177.43 176.67 2f05 h ALA 10 N 1.08 1.16 -0.64 -0.83 0.00 0.54 -1.50 119.26 119.07 2f05 h ALA 10 Ca 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2f05 h ALA 10 Cb 0.37 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2f05 h ALA 10 CO 0.00 0.59 0.26 0.82 0.00 0.00 0.00 179.25 180.92 2f05 h ILE 11 N 0.93 1.23 -0.80 0.00 1.08 0.12 0.23 117.51 120.30 2f05 h ILE 11 Ca 0.21 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2f05 h ILE 11 Cb 0.26 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 2f05 h ILE 11 CO -0.01 0.28 0.47 0.28 -0.69 0.00 0.00 178.15 178.49 2f05 h SER 12 N 0.90 0.98 0.02 1.72 0.02 -0.38 0.54 113.55 117.35 2f05 h SER 12 Ca 0.21 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2f05 h SER 12 Cb 0.19 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2f05 h SER 12 CO -0.02 0.77 -0.01 0.22 -1.14 0.00 0.00 176.83 176.65 2f05 h TYR 13 N 1.11 -0.03 -0.18 3.45 3.20 -0.77 -1.27 116.97 122.47 2f05 h TYR 13 Ca 0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2f05 h TYR 13 Cb -0.02 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2f05 h TYR 13 CO -0.00 0.11 0.12 0.28 -1.64 0.00 0.00 178.16 177.02 2f05 h VAL 14 N -0.16 1.06 -0.84 1.81 2.07 0.11 -1.59 116.25 118.71 2f05 h VAL 14 Ca -0.00 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2f05 h VAL 14 Cb 0.15 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2f05 h VAL 14 CO 0.01 0.05 0.55 -1.13 0.02 0.00 0.00 177.57 177.07 2f05 h ASN 15 N 0.23 0.84 -0.57 0.57 -1.24 0.09 0.13 115.58 115.63 2f05 h ASN 15 Ca 0.07 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 2f05 h ASN 15 Cb -0.01 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 2f05 h ASN 15 CO -0.01 0.55 0.28 0.50 -1.29 0.00 0.00 177.43 177.45 2f05 h LYS 16 N 0.96 0.82 -0.09 6.67 3.64 -0.71 -1.18 116.57 126.68 2f05 h LYS 16 Ca 0.35 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2f05 h LYS 16 Cb 0.17 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2f05 h LYS 16 CO -0.12 0.66 0.06 0.82 -2.27 0.00 0.00 179.45 178.60 2f05 h ILE 17 N 0.77 1.04 -0.72 2.00 2.04 -0.13 0.20 117.51 122.71 2f05 h ILE 17 Ca 0.20 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 66.09 2f05 h ILE 17 Cb 0.11 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.04 2f05 h ILE 17 CO -0.03 0.04 0.27 0.11 0.00 0.00 0.00 178.15 178.54 2f05 h LYS 18 N 0.11 0.41 -0.07 2.37 1.57 -0.36 0.33 116.57 120.93 2f05 h LYS 18 Ca 0.03 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2f05 h LYS 18 Cb 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2f05 h LYS 18 CO -0.01 0.27 -0.36 1.15 -0.57 0.00 0.00 179.45 179.93 2f05 h THR 19 N 0.42 1.42 -0.65 -0.16 2.02 -0.99 -1.70 112.91 113.26 2f05 h THR 19 Ca 0.39 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 2f05 h THR 19 Cb 0.57 2.32 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 2f05 h THR 19 CO -0.39 0.51 0.36 0.03 0.37 0.00 0.00 175.52 176.40 2f05 h ARG 20 N -0.11 0.90 -0.59 6.66 2.47 0.12 -2.12 114.38 121.71 2f05 h ARG 20 Ca -0.03 -0.10 -0.41 0.00 -1.26 0.00 0.00 59.98 58.19 2f05 h ARG 20 Cb 1.02 -0.18 -0.28 0.00 -1.65 0.00 0.00 29.97 28.88 2f05 h ARG 20 CO 0.08 0.67 -0.36 1.19 0.56 0.00 0.00 179.97 182.10 2f05 n PHE 21 N -4.37 2.05 0.22 3.04 3.72 0.04 -4.72 117.46 117.43 2f05 n PHE 21 Ca 0.06 -2.10 0.06 0.00 -0.05 0.00 0.00 57.45 55.43 2f05 n PHE 21 Cb 0.10 -0.52 0.50 0.00 -0.94 0.00 0.00 39.48 38.62 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 1.71 0.00 -0.00 4.37 6.46 -0.59 -0.69 115.31 126.57 2f05 h LEU 22 Ca 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2f05 h LEU 22 Cb 1.39 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.32 2f05 h LEU 22 CO 0.69 0.23 -0.44 0.47 -0.62 0.00 0.00 178.44 178.77 2f05 n ASP 23 N -4.08 0.45 -3.48 1.25 8.00 -1.26 -4.48 116.55 112.95 2f05 n ASP 23 Ca -0.02 -0.17 -0.27 0.00 0.71 0.00 0.00 54.79 55.04 2f05 n ASP 23 Cb 0.30 0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 41.48 2f05 n ASP 23 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2f05 n HIS 24 N -1.50 0.88 0.30 1.24 8.25 -0.27 -4.92 115.22 119.21 2f05 n HIS 24 Ca 0.06 -3.73 0.15 0.00 -0.26 0.00 0.00 57.72 53.93 2f05 n HIS 24 Cb 0.34 -0.21 0.69 0.00 1.12 0.00 0.00 29.99 31.92 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 4.99 0.00 -0.20 -0.41 0.11 -1.78 -2.13 132.00 132.59 2f05 h PRO 25 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2f05 h PRO 25 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2f05 h PRO 25 CO 0.54 0.00 0.06 1.05 -0.21 0.00 0.00 178.00 179.45 2f05 h GLU 26 N 0.00 0.27 0.01 1.05 4.11 -1.91 0.16 114.58 118.27 2f05 h GLU 26 Ca 0.00 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.20 2f05 h GLU 26 Cb 0.24 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.46 2f05 h GLU 26 CO 0.00 0.24 -0.79 0.82 0.07 0.00 0.00 179.01 179.36 2f05 h ILE 27 N 0.27 1.37 -0.09 -1.06 2.04 -1.73 -0.25 117.51 118.07 2f05 h ILE 27 Ca 0.07 -2.17 0.02 0.00 1.00 0.00 0.00 64.86 63.78 2f05 h ILE 27 Cb 0.08 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2f05 h ILE 27 CO -0.01 0.65 -0.06 0.22 0.00 0.00 0.00 178.15 178.95 2f05 h TYR 28 N 0.07 -0.14 -0.68 1.37 3.20 -1.48 -1.26 116.97 118.05 2f05 h TYR 28 Ca -0.10 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2f05 h TYR 28 Cb 1.48 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.80 2f05 h TYR 28 CO 0.13 -0.09 0.39 -0.09 -1.64 0.00 0.00 178.16 176.86 2f05 h ARG 29 N -0.06 0.93 0.00 1.82 2.43 -0.71 -0.92 114.38 117.87 2f05 h ARG 29 Ca 0.06 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2f05 h ARG 29 Cb 0.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2f05 h ARG 29 CO -0.13 0.69 -0.23 0.77 -1.51 0.00 0.00 179.97 179.55 2f05 h SER 30 N 0.92 0.00 -0.08 -3.80 0.02 -0.57 -2.25 113.55 107.79 2f05 h SER 30 Ca 0.24 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.09 2f05 h SER 30 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2f05 h SER 30 CO -0.04 0.23 -0.35 0.15 -1.14 0.00 0.00 176.83 175.68 2f05 h PHE 31 N 0.00 0.50 -0.55 3.45 3.57 -0.57 -3.22 116.94 120.12 2f05 h PHE 31 Ca -0.00 -0.22 0.15 0.00 3.53 0.00 0.00 57.97 61.43 2f05 h PHE 31 Cb 0.44 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2f05 h PHE 31 CO 0.00 0.96 0.39 -0.07 -2.23 0.00 0.00 178.31 177.36 2f05 h LEU 32 N -0.10 0.08 -0.41 0.59 3.38 -0.64 0.10 115.31 118.31 2f05 h LEU 32 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2f05 h LEU 32 Cb 1.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2f05 h LEU 32 CO 0.07 0.04 -0.79 1.05 0.09 0.00 0.00 178.44 178.90 2f05 h GLU 33 N 0.08 0.13 -0.20 1.13 4.11 -1.45 -0.42 114.58 117.96 2f05 h GLU 33 Ca 0.26 -0.13 -0.09 0.00 0.07 0.00 0.00 59.36 59.47 2f05 h GLU 33 Cb 0.93 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2f05 h GLU 33 CO -0.02 0.86 -0.22 0.82 0.07 0.00 0.00 179.01 180.51 2f05 h ILE 34 N 0.08 1.33 -0.46 -1.06 2.04 -0.86 0.13 117.51 118.72 2f05 h ILE 34 Ca -0.03 -1.40 -0.12 0.00 1.00 0.00 0.00 64.86 64.32 2f05 h ILE 34 Cb 1.39 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 2f05 h ILE 34 CO 0.12 0.43 -0.18 0.25 0.00 0.00 0.00 178.15 178.76 2f05 h LEU 35 N 0.18 0.91 0.11 1.44 7.12 -1.21 0.29 115.31 124.14 2f05 h LEU 35 Ca 0.03 -0.32 -0.01 0.00 0.13 0.00 0.00 57.88 57.72 2f05 h LEU 35 Cb 0.78 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 2f05 h LEU 35 CO 0.05 1.07 -0.05 -0.74 -0.13 0.00 0.00 178.44 178.64 2f05 h HIS 36 N 0.79 -0.14 -0.82 1.25 2.76 -0.91 -0.90 115.15 117.18 2f05 h HIS 36 Ca 0.11 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.35 2f05 h HIS 36 Cb 0.72 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.66 2f05 h HIS 36 CO 0.04 -0.05 0.49 1.15 -1.30 0.00 0.00 177.93 178.26 2f05 h THR 37 N -0.18 0.99 -0.28 6.26 2.02 -0.46 -0.19 112.91 121.08 2f05 h THR 37 Ca -0.01 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2f05 h THR 37 Cb 0.14 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2f05 h THR 37 CO 0.02 0.16 0.15 0.22 0.37 0.00 0.00 175.52 176.45 2f05 h TYR 38 N 0.88 0.38 0.00 3.16 3.20 0.03 0.21 116.97 124.82 2f05 h TYR 38 Ca 0.37 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.13 2f05 h TYR 38 Cb 0.23 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2f05 h TYR 38 CO -0.05 0.31 -0.48 1.96 -1.64 0.00 0.00 178.16 178.27 2f05 h GLN 39 N 0.33 0.00 0.16 1.82 1.08 -0.76 -3.07 115.11 114.66 2f05 h GLN 39 Ca 0.10 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.96 2f05 h GLN 39 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2f05 h GLN 39 CO -0.02 0.48 -1.73 0.87 -0.95 0.00 0.00 178.83 177.48 2f05 h LYS 40 N 0.00 0.34 0.00 1.46 6.56 -0.65 -3.35 116.57 120.93 2f05 h LYS 40 Ca -0.00 -0.57 0.00 0.00 -1.06 0.00 0.00 60.65 59.01 2f05 h LYS 40 Cb 1.08 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 2f05 h LYS 40 CO 0.06 1.24 -0.08 0.93 -2.06 0.00 0.00 179.45 179.54 2f05 h GLU 41 N 0.09 0.00 0.00 3.15 5.08 -0.67 -2.79 114.58 119.44 2f05 h GLU 41 Ca -0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2f05 h GLU 41 Cb 2.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.32 2f05 h GLU 41 CO 0.16 0.00 -0.01 1.96 -1.00 0.00 0.00 179.01 180.12 2f05 h GLN 42 N 0.00 0.00 0.00 2.33 1.08 -1.70 -3.45 115.11 113.37 2f05 h GLN 42 Ca 0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 2f05 h GLN 42 Cb 0.90 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 2f05 h GLN 42 CO 0.00 0.01 -0.09 1.28 -0.95 0.00 0.00 178.83 179.08 2f05 n LEU 43 N -3.10 0.00 -4.35 1.46 7.99 -1.05 -5.05 117.00 112.89 2f05 n LEU 43 Ca 0.02 -1.27 -0.46 0.00 -0.01 0.00 0.00 56.01 54.29 2f05 n LEU 43 Cb 0.43 -0.10 -0.03 0.00 -0.11 0.00 0.00 43.42 43.62 2f05 n LEU 43 CO 0.31 -0.49 0.50 -1.00 -1.51 0.00 0.00 177.39 175.20 2f05 s HIS 44 N -1.03 3.56 -0.16 -1.77 3.76 -1.26 -4.95 115.29 113.44 2f05 s HIS 44 Ca 0.21 -1.76 -0.04 0.00 -0.15 0.00 0.00 55.06 53.32 2f05 s HIS 44 Cb -0.02 -3.91 -0.03 0.00 1.11 0.00 0.00 32.58 29.73 2f05 s HIS 44 CO 0.13 -1.10 -0.02 0.95 -0.85 0.00 0.00 174.74 173.85 2f05 s THR 45 N 0.90 4.05 0.16 1.30 -4.23 -1.26 -5.09 115.64 111.47 2f05 s THR 45 Ca 0.19 -0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 60.26 2f05 s THR 45 Cb -0.12 -2.78 -0.07 0.00 1.34 0.00 0.00 72.50 70.87 2f05 s THR 45 CO -0.07 0.49 0.55 -0.54 -0.54 0.00 0.00 174.62 174.51 2f05 s LYS 46 N 0.30 3.94 0.00 3.99 -0.14 -1.26 -4.30 119.74 122.27 2f05 s LYS 46 Ca -0.02 0.44 0.00 0.00 -1.36 0.00 0.00 55.97 55.03 2f05 s LYS 46 Cb -0.14 -2.88 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 2f05 s LYS 46 CO 0.02 0.45 0.00 0.41 -0.76 0.00 0.00 175.35 175.47 2f05 n GLY 47 N 0.63 1.23 3.17 -3.33 0.00 -1.26 -5.10 105.19 100.53 2f05 n GLY 47 Ca -0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 2f05 n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2f05 s ARG 48 N -1.87 1.00 0.88 1.61 1.70 -1.26 -5.17 118.95 115.85 2f05 s ARG 48 Ca 0.00 -1.47 -0.14 0.00 -0.47 0.00 0.00 55.73 53.65 2f05 s ARG 48 Cb 0.00 0.25 0.14 0.00 -0.57 0.00 0.00 34.95 34.77 2f05 s ARG 48 CO 0.00 -0.30 1.24 -1.25 -1.08 0.00 0.00 175.30 173.91 2f05 s PRO 49 N -4.07 1.34 -0.98 3.89 0.04 -1.26 -4.97 135.00 128.99 2f05 s PRO 49 Ca 0.27 -0.16 -0.16 0.00 0.04 0.00 0.00 61.00 60.99 2f05 s PRO 49 Cb 0.07 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.86 2f05 s PRO 49 CO 0.04 -1.97 1.14 0.12 0.04 0.00 0.00 177.00 176.36 2f05 s PHE 50 N -3.71 3.35 -0.13 0.56 5.36 -1.26 -4.85 117.98 117.30 2f05 s PHE 50 Ca 0.68 -1.70 -0.34 0.00 -0.96 0.00 0.00 56.93 54.61 2f05 s PHE 50 Cb -0.08 -4.20 0.14 0.00 -0.34 0.00 0.00 43.02 38.55 2f05 s PHE 50 CO 0.51 -1.37 1.32 -0.98 -1.46 0.00 0.00 175.22 173.24 2f05 s ARG 51 N 1.88 0.22 -0.04 10.12 3.03 -1.26 -5.15 118.95 127.74 2f05 s ARG 51 Ca 0.32 -0.10 -0.01 0.00 2.03 0.00 0.00 55.73 57.97 2f05 s ARG 51 Cb -0.05 0.08 0.03 0.00 -1.03 0.00 0.00 34.95 33.98 2f05 s ARG 51 CO -0.07 -0.10 0.03 0.20 -1.13 0.00 0.00 175.30 174.23 2f05 s GLY 52 N -2.58 0.23 -0.24 3.88 0.00 -1.26 -5.01 107.32 102.34 2f05 s GLY 52 Ca 0.13 0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 2f05 s GLY 52 CO -0.04 0.95 2.23 -0.13 0.00 0.00 0.00 173.10 176.11 2f05 n MET 53 N 4.66 1.83 -2.20 2.90 1.56 -1.26 -4.93 117.12 119.69 2f05 n MET 53 Ca -0.17 0.49 -0.36 0.00 -0.27 0.00 0.00 57.70 57.40 2f05 n MET 53 Cb 0.50 -3.14 0.01 0.00 2.15 0.00 0.00 33.22 32.73 2f05 n MET 53 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2f05 s SER 54 N 8.30 5.68 0.26 6.12 0.01 -1.26 -4.73 113.70 128.07 2f05 s SER 54 Ca 1.02 2.26 -0.02 0.00 1.31 0.00 0.00 55.95 60.52 2f05 s SER 54 Cb -0.40 -2.59 0.49 0.00 0.21 0.00 0.00 66.02 63.73 2f05 s SER 54 CO 0.37 -1.25 1.78 -0.08 0.41 0.00 0.00 173.24 174.46 2f05 h GLU 55 N 1.29 0.65 -0.71 12.44 4.81 -1.98 0.48 114.58 131.57 2f05 h GLU 55 Ca -0.50 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 2f05 h GLU 55 Cb 1.27 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2f05 h GLU 55 CO 0.57 0.43 0.24 1.49 -0.73 0.00 0.00 179.01 181.01 2f05 h GLU 56 N 0.67 1.09 0.00 1.92 4.81 -1.99 0.87 114.58 121.94 2f05 h GLU 56 Ca 0.44 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2f05 h GLU 56 Cb 0.57 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2f05 h GLU 56 CO -0.33 0.93 -0.53 1.05 -0.73 0.00 0.00 179.01 179.40 2f05 h GLU 57 N 1.03 0.00 0.19 1.92 4.11 -1.39 -2.59 114.58 117.85 2f05 h GLU 57 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 2f05 h GLU 57 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2f05 h GLU 57 CO -0.01 0.41 -0.09 0.28 0.07 0.00 0.00 179.01 179.67 2f05 h VAL 58 N 0.00 0.86 -0.35 -1.06 2.07 0.30 -2.53 116.25 115.54 2f05 h VAL 58 Ca -0.02 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.32 2f05 h VAL 58 Cb 1.35 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2f05 h VAL 58 CO 0.05 0.05 0.23 0.15 0.02 0.00 0.00 177.57 178.08 2f05 h PHE 59 N -0.37 0.30 -0.26 1.57 3.57 -0.75 -0.53 116.94 120.46 2f05 h PHE 59 Ca -0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2f05 h PHE 59 Cb 0.29 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2f05 h PHE 59 CO -0.03 0.17 0.16 1.15 -2.23 0.00 0.00 178.31 177.53 2f05 h THR 60 N 0.30 1.10 -0.09 4.41 2.02 -1.13 0.42 112.91 119.95 2f05 h THR 60 Ca 0.15 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 2f05 h THR 60 Cb 0.20 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2f05 h THR 60 CO -0.03 0.10 -0.55 -0.33 0.37 0.00 0.00 175.52 175.08 2f05 h GLU 61 N 0.33 0.25 -0.20 6.66 4.39 -0.73 0.45 114.58 125.73 2f05 h GLU 61 Ca 0.09 -0.16 -0.19 0.00 0.34 0.00 0.00 59.36 59.45 2f05 h GLU 61 Cb 0.02 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2f05 h GLU 61 CO -0.02 0.74 -0.63 0.28 -1.16 0.00 0.00 179.01 178.22 2f05 h VAL 62 N 0.20 1.30 -0.28 3.13 2.07 -1.07 0.59 116.25 122.19 2f05 h VAL 62 Ca 0.00 -1.86 -0.06 0.00 0.82 0.00 0.00 66.70 65.60 2f05 h VAL 62 Cb 1.03 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2f05 h VAL 62 CO 0.09 0.59 -0.09 0.00 0.02 0.00 0.00 177.57 178.17 2f05 h ALA 63 N 0.78 1.33 0.00 1.67 0.00 0.26 -0.90 119.26 122.39 2f05 h ALA 63 Ca -0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2f05 h ALA 63 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2f05 h ALA 63 CO 0.13 0.45 -0.64 -0.97 0.00 0.00 0.00 179.25 178.22 2f05 h ASN 64 N 0.43 0.00 0.02 0.00 -1.24 -0.66 -2.09 115.58 112.04 2f05 h ASN 64 Ca 0.09 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 2f05 h ASN 64 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 2f05 h ASN 64 CO 0.02 0.64 -0.01 0.25 -1.29 0.00 0.00 177.43 177.05 2f05 h LEU 65 N 0.00 -0.02 -5.40 0.34 7.12 -0.11 -3.28 115.31 113.97 2f05 h LEU 65 Ca -0.01 -0.52 -0.71 0.00 0.13 0.00 0.00 57.88 56.77 2f05 h LEU 65 Cb 1.17 0.00 -0.33 0.00 -0.53 0.00 0.00 40.66 40.97 2f05 h LEU 65 CO 0.08 0.52 0.33 0.49 -0.13 0.00 0.00 178.44 179.74 2f05 n PHE 66 N -4.84 3.25 -1.83 1.25 3.72 -0.42 -5.03 117.46 113.56 2f05 n PHE 66 Ca -0.09 -2.94 -0.42 0.00 -0.05 0.00 0.00 57.45 53.96 2f05 n PHE 66 Cb 0.27 -0.83 -0.02 0.00 -0.94 0.00 0.00 39.48 37.96 2f05 n PHE 66 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2f05 s ARG 67 N -3.93 4.16 0.00 -1.08 1.81 -0.79 -1.66 118.95 117.47 2f05 s ARG 67 Ca 0.46 2.50 0.00 0.00 -1.72 0.00 0.00 55.73 56.98 2f05 s ARG 67 Cb 0.31 -3.07 0.00 0.00 -0.45 0.00 0.00 34.95 31.74 2f05 s ARG 67 CO -0.22 -0.62 0.00 0.41 -0.68 0.00 0.00 175.30 174.19 2f05 n GLY 68 N 2.88 2.71 2.67 -3.53 0.00 -1.26 -4.88 105.19 103.78 2f05 n GLY 68 Ca 0.11 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 3.84 0.22 1.61 1.13 -0.66 -4.68 117.38 118.84 2f05 n GLN 69 Ca 0.00 -3.25 0.08 0.00 -1.94 0.00 0.00 57.00 51.89 2f05 n GLN 69 Cb 0.00 -2.86 0.62 0.00 0.11 0.00 0.00 30.24 28.10 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 5.34 0.06 -0.62 -1.09 5.08 -1.90 -0.92 114.58 120.53 2f05 h GLU 70 Ca 0.56 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 59.02 2f05 h GLU 70 Cb 0.49 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 2f05 h GLU 70 CO 1.63 0.04 0.22 0.22 -1.00 0.00 0.00 179.01 180.12 2f05 h ASP 71 N 0.06 0.20 0.70 1.42 3.58 -1.94 0.14 116.42 120.59 2f05 h ASP 71 Ca 0.02 0.09 -0.16 0.00 0.42 0.00 0.00 57.03 57.40 2f05 h ASP 71 Cb 0.01 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2f05 h ASP 71 CO -0.00 0.12 -0.73 -0.07 -2.88 0.00 0.00 179.24 175.67 2f05 h LEU 72 N 0.39 0.03 -0.40 2.28 3.38 -1.54 -2.86 115.31 116.59 2f05 h LEU 72 Ca 0.32 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.08 2f05 h LEU 72 Cb 0.41 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2f05 h LEU 72 CO -0.33 0.75 -0.63 -0.07 0.09 0.00 0.00 178.44 178.26 2f05 h LEU 73 N 0.02 0.70 -0.53 1.67 3.38 -0.88 -2.60 115.31 117.06 2f05 h LEU 73 Ca -0.01 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 2f05 h LEU 73 Cb 1.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2f05 h LEU 73 CO 0.10 1.15 0.16 0.28 0.09 0.00 0.00 178.44 180.22 2f05 h SER 74 N 0.45 0.78 0.19 -0.43 0.02 -0.70 -1.82 113.55 112.04 2f05 h SER 74 Ca -0.01 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 2f05 h SER 74 Cb 1.20 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2f05 h SER 74 CO 0.12 0.78 -0.18 -0.33 -1.14 0.00 0.00 176.83 176.08 2f05 h GLU 75 N 0.74 0.00 0.27 3.45 4.39 -1.34 0.18 114.58 122.26 2f05 h GLU 75 Ca 0.17 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2f05 h GLU 75 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2f05 h GLU 75 CO -0.00 0.18 -0.13 0.35 -1.16 0.00 0.00 179.01 178.25 2f05 h PHE 76 N 0.00 -0.33 -0.11 4.33 3.57 -1.08 -0.75 116.94 122.57 2f05 h PHE 76 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2f05 h PHE 76 Cb 0.32 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2f05 h PHE 76 CO 0.00 0.03 -0.05 0.78 -2.23 0.00 0.00 178.31 176.84 2f05 h GLY 77 N -0.80 0.16 1.07 2.40 0.00 -0.89 -1.13 103.07 103.89 2f05 h GLY 77 Ca -0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 2f05 h GLY 77 CO 0.06 0.08 -0.63 -1.61 0.00 0.00 0.00 176.54 174.44 2f05 h GLN 78 N 0.15 0.73 -0.00 4.80 4.15 -0.66 -3.27 115.11 121.01 2f05 h GLN 78 Ca 0.04 -0.55 -0.15 0.00 0.77 0.00 0.00 58.65 58.76 2f05 h GLN 78 Cb 0.20 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2f05 h GLN 78 CO 0.01 1.17 -0.69 0.35 -1.93 0.00 0.00 178.83 177.74 2f05 h PHE 79 N 0.44 0.02 -3.96 3.99 3.57 -0.55 -3.46 116.94 116.99 2f05 h PHE 79 Ca -0.03 -0.01 -0.55 0.00 3.53 0.00 0.00 57.97 60.91 2f05 h PHE 79 Cb 1.25 -0.00 0.14 0.00 2.79 0.00 0.00 35.95 40.13 2f05 h PHE 79 CO 0.09 0.70 0.58 1.28 -2.23 0.00 0.00 178.31 178.73 2f05 n LEU 80 N -3.72 5.29 -2.66 0.59 4.77 -0.48 -4.84 117.00 115.94 2f05 n LEU 80 Ca -0.01 1.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.89 2f05 n LEU 80 Cb 0.68 -1.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 2f05 n LEU 80 CO 0.43 -0.59 1.28 -0.81 -1.33 0.00 0.00 177.39 176.37 2f05 n PRO 81 N -0.84 0.92 -0.05 3.23 -0.04 -1.26 -4.67 135.00 132.30 2f05 n PRO 81 Ca 0.10 -0.65 -0.08 0.00 -0.04 0.00 0.00 63.50 62.83 2f05 n PRO 81 Cb 0.44 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 2f05 n PRO 81 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2f05 h GLU 82 N 5.85 -0.18 0.00 0.54 5.08 -1.88 0.33 114.58 124.31 2f05 h GLU 82 Ca 0.16 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2f05 h GLU 82 Cb 0.33 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2f05 h GLU 82 CO 0.78 -0.12 -0.16 0.00 -1.00 0.00 0.00 179.01 178.51 2f05 h ALA 83 N 0.93 0.97 0.01 3.43 0.00 -2.00 -3.19 119.26 119.41 2f05 h ALA 83 Ca 0.14 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2f05 h ALA 83 Cb 0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2f05 h ALA 83 CO -0.36 0.20 -1.83 1.63 0.00 0.00 0.00 179.25 178.89 2f05 n LYS 84 N -3.24 0.65 0.00 0.00 4.76 -0.62 -5.32 118.16 114.39 2f05 n LYS 84 Ca 0.01 0.25 0.12 0.00 -2.87 0.00 0.00 58.31 55.83 2f05 n LYS 84 Cb 0.45 -1.75 0.16 0.00 -1.84 0.00 0.00 35.03 32.06 2f05 n LYS 84 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90