#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 h SER 2 N 0.00 0.00 -3.65 -1.84 0.02 -2.12 -3.43 113.55 102.53 2f05 h SER 2 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 2f05 h SER 2 Cb 0.00 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.35 2f05 h SER 2 CO 0.00 0.00 -0.69 -0.62 -1.14 0.00 0.00 176.83 174.38 2f05 s ASP 3 N -5.14 4.68 -1.23 3.07 2.15 -1.26 -5.03 116.67 113.92 2f05 s ASP 3 Ca 0.08 -0.01 -0.08 0.00 0.43 0.00 0.00 52.55 52.97 2f05 s ASP 3 Cb 0.09 -1.19 0.21 0.00 -0.30 0.00 0.00 42.92 41.73 2f05 s ASP 3 CO 0.59 0.36 1.79 -1.54 -0.17 0.00 0.00 175.17 176.20 2f05 n SER 4 N 2.23 5.53 0.24 -0.34 3.41 -1.26 -4.79 113.62 118.63 2f05 n SER 4 Ca -0.18 -3.20 -0.15 0.00 -0.26 0.00 0.00 58.87 55.08 2f05 n SER 4 Cb 0.53 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 62.98 2f05 n SER 4 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2f05 h VAL 5 N 3.61 0.58 -0.27 -3.33 2.07 -1.95 0.18 116.25 117.13 2f05 h VAL 5 Ca 0.35 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 2f05 h VAL 5 Cb 0.61 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2f05 h VAL 5 CO 1.55 0.04 -0.04 -0.33 0.02 0.00 0.00 177.57 178.81 2f05 h GLU 6 N -0.70 0.41 -0.08 1.57 5.08 -1.99 0.36 114.58 119.25 2f05 h GLU 6 Ca -0.06 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2f05 h GLU 6 Cb 0.50 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2f05 h GLU 6 CO 0.10 0.47 -0.05 0.35 -1.00 0.00 0.00 179.01 178.87 2f05 h PHE 7 N 0.40 0.20 -0.99 4.33 3.57 -1.91 0.13 116.94 122.67 2f05 h PHE 7 Ca 0.09 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.58 2f05 h PHE 7 Cb 0.32 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 2f05 h PHE 7 CO 0.01 0.57 0.64 -0.91 -2.23 0.00 0.00 178.31 176.40 2f05 h ASN 8 N -0.23 1.05 -0.78 0.41 2.35 -0.02 0.48 115.58 118.85 2f05 h ASN 8 Ca 0.02 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2f05 h ASN 8 Cb 0.53 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 2f05 h ASN 8 CO 0.01 0.70 0.34 0.78 -1.65 0.00 0.00 177.43 177.61 2f05 h ASN 9 N 1.20 1.06 -0.52 5.81 4.21 -0.81 1.00 115.58 127.54 2f05 h ASN 9 Ca 0.41 -0.15 -0.12 0.00 1.21 0.00 0.00 56.30 57.65 2f05 h ASN 9 Cb 0.08 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 36.99 2f05 h ASN 9 CO -0.14 0.92 -0.15 0.00 -1.29 0.00 0.00 177.43 176.76 2f05 h ALA 10 N 1.23 0.72 -0.54 -0.83 0.00 0.78 -2.91 119.26 117.71 2f05 h ALA 10 Ca 0.27 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2f05 h ALA 10 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2f05 h ALA 10 CO -0.03 0.67 0.09 0.82 0.00 0.00 0.00 179.25 180.81 2f05 h ILE 11 N 0.89 1.24 -0.81 0.00 1.08 0.50 -1.83 117.51 118.58 2f05 h ILE 11 Ca 0.13 -0.90 0.08 0.00 -0.39 0.00 0.00 64.86 63.78 2f05 h ILE 11 Cb 0.73 0.72 -0.07 0.00 -3.07 0.00 0.00 36.82 35.13 2f05 h ILE 11 CO 0.06 0.33 0.48 0.28 -0.69 0.00 0.00 178.15 178.60 2f05 h SER 12 N 0.82 0.71 -0.24 1.72 0.02 -0.63 0.69 113.55 116.64 2f05 h SER 12 Ca 0.17 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2f05 h SER 12 Cb 0.36 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2f05 h SER 12 CO 0.01 0.43 0.02 0.22 -1.14 0.00 0.00 176.83 176.37 2f05 h TYR 13 N 0.84 0.44 -0.59 3.45 3.20 -1.28 -0.65 116.97 122.37 2f05 h TYR 13 Ca 0.37 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 2f05 h TYR 13 Cb 0.27 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2f05 h TYR 13 CO -0.05 0.55 0.26 0.28 -1.64 0.00 0.00 178.16 177.56 2f05 h VAL 14 N 0.20 1.22 -0.44 1.81 2.07 -0.48 -1.47 116.25 119.16 2f05 h VAL 14 Ca 0.07 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 2f05 h VAL 14 Cb 0.36 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2f05 h VAL 14 CO 0.01 0.26 0.00 -1.13 0.02 0.00 0.00 177.57 176.73 2f05 h ASN 15 N 0.81 0.68 -0.74 0.57 -1.24 0.44 0.14 115.58 116.25 2f05 h ASN 15 Ca 0.20 -0.15 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 2f05 h ASN 15 Cb 0.17 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 2f05 h ASN 15 CO -0.02 0.75 0.36 0.50 -1.29 0.00 0.00 177.43 177.73 2f05 h LYS 16 N 0.67 1.07 -0.28 6.67 3.64 -0.65 0.35 116.57 128.04 2f05 h LYS 16 Ca 0.14 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2f05 h LYS 16 Cb 0.41 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2f05 h LYS 16 CO 0.02 0.83 0.07 0.82 -2.27 0.00 0.00 179.45 178.91 2f05 h ILE 17 N 1.04 1.22 -0.23 2.00 2.04 -0.48 -1.99 117.51 121.10 2f05 h ILE 17 Ca 0.25 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.45 2f05 h ILE 17 Cb 0.11 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 2f05 h ILE 17 CO -0.03 0.24 -0.19 0.11 0.00 0.00 0.00 178.15 178.28 2f05 h LYS 18 N 0.28 -0.18 -0.63 2.37 1.57 0.05 -0.64 116.57 119.39 2f05 h LYS 18 Ca 0.09 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2f05 h LYS 18 Cb 0.29 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2f05 h LYS 18 CO 0.00 -0.12 0.24 1.15 -0.57 0.00 0.00 179.45 180.15 2f05 h THR 19 N -0.19 1.24 -0.31 -0.16 2.02 -0.93 0.14 112.91 114.72 2f05 h THR 19 Ca 0.13 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 2f05 h THR 19 Cb 0.39 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2f05 h THR 19 CO -0.34 0.30 -0.18 0.03 0.37 0.00 0.00 175.52 175.70 2f05 h ARG 20 N 0.89 0.56 -0.53 6.66 2.47 -0.80 -2.88 114.38 120.76 2f05 h ARG 20 Ca 0.21 -0.19 -0.38 0.00 -1.26 0.00 0.00 59.98 58.36 2f05 h ARG 20 Cb 0.23 -0.05 -0.28 0.00 -1.65 0.00 0.00 29.97 28.22 2f05 h ARG 20 CO -0.01 0.72 -0.59 1.19 0.56 0.00 0.00 179.97 181.83 2f05 n PHE 21 N -4.16 1.89 0.23 3.04 3.72 -0.30 -4.72 117.46 117.17 2f05 n PHE 21 Ca 0.00 -2.02 0.09 0.00 -0.05 0.00 0.00 57.45 55.47 2f05 n PHE 21 Cb 0.37 -0.38 0.57 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.75 0.00 -1.22 4.37 6.46 -0.49 -0.50 115.31 125.68 2f05 h LEU 22 Ca 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 2f05 h LEU 22 Cb 1.36 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 2f05 h LEU 22 CO 0.57 0.21 -0.35 0.47 -0.62 0.00 0.00 178.44 178.71 2f05 n ASP 23 N -3.83 2.26 -3.73 1.25 8.00 -1.26 -4.71 116.55 114.53 2f05 n ASP 23 Ca -0.02 -1.63 -0.28 0.00 0.71 0.00 0.00 54.79 53.58 2f05 n ASP 23 Cb 0.30 0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 41.64 2f05 n ASP 23 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2f05 s HIS 24 N -2.36 2.64 0.33 1.24 3.76 -0.20 -4.97 115.29 115.74 2f05 s HIS 24 Ca 0.21 -2.93 0.08 0.00 -0.15 0.00 0.00 55.06 52.27 2f05 s HIS 24 Cb 0.19 -2.09 0.58 0.00 1.11 0.00 0.00 32.58 32.36 2f05 s HIS 24 CO 0.50 -0.66 1.78 -1.00 -0.85 0.00 0.00 174.74 174.51 2f05 h PRO 25 N 5.67 0.23 -0.32 8.40 0.13 -1.84 -2.93 132.00 141.33 2f05 h PRO 25 Ca 0.15 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 2f05 h PRO 25 Cb 0.83 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2f05 h PRO 25 CO 0.59 0.52 0.01 1.05 -0.23 0.00 0.00 178.00 179.94 2f05 h GLU 26 N 0.20 0.49 -0.34 0.86 4.11 -1.93 -0.21 114.58 117.76 2f05 h GLU 26 Ca 0.03 -0.10 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 2f05 h GLU 26 Cb 0.66 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2f05 h GLU 26 CO 0.05 0.51 -0.00 0.82 0.07 0.00 0.00 179.01 180.46 2f05 h ILE 27 N 0.48 1.26 0.34 -1.06 2.04 -1.87 0.48 117.51 119.17 2f05 h ILE 27 Ca 0.11 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 2f05 h ILE 27 Cb 0.29 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2f05 h ILE 27 CO 0.01 0.32 -0.17 0.22 0.00 0.00 0.00 178.15 178.53 2f05 h TYR 28 N 0.41 -0.43 -0.67 1.37 3.20 -1.51 -2.76 116.97 116.58 2f05 h TYR 28 Ca 0.10 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2f05 h TYR 28 Cb 0.46 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 2f05 h TYR 28 CO 0.04 -0.27 0.20 0.00 -1.64 0.00 0.00 178.16 176.50 2f05 h ARG 29 N -0.46 1.04 -0.18 1.82 3.08 -0.78 -1.56 114.38 117.34 2f05 h ARG 29 Ca -0.05 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 2f05 h ARG 29 Cb 0.35 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2f05 h ARG 29 CO 0.08 0.91 -0.08 0.77 -1.07 0.00 0.00 179.97 180.58 2f05 h SER 30 N 0.98 0.25 -0.06 7.04 0.02 -0.04 -1.99 113.55 119.75 2f05 h SER 30 Ca 0.22 -0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 60.92 2f05 h SER 30 Cb 0.31 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.79 2f05 h SER 30 CO -0.01 0.37 -0.75 0.15 -1.14 0.00 0.00 176.83 175.45 2f05 h PHE 31 N 0.26 0.88 -0.89 3.45 3.57 -1.15 -3.21 116.94 119.86 2f05 h PHE 31 Ca 0.06 -0.43 0.14 0.00 3.53 0.00 0.00 57.97 61.27 2f05 h PHE 31 Cb 0.31 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 2f05 h PHE 31 CO 0.01 1.25 0.57 -0.07 -2.23 0.00 0.00 178.31 177.84 2f05 h LEU 32 N 0.26 0.65 -0.97 0.59 3.38 -0.69 0.24 115.31 118.77 2f05 h LEU 32 Ca -0.08 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2f05 h LEU 32 Cb 1.41 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2f05 h LEU 32 CO 0.15 0.33 -0.45 1.05 0.09 0.00 0.00 178.44 179.62 2f05 h GLU 33 N 0.69 0.15 -0.46 1.13 4.11 -1.41 -2.90 114.58 115.90 2f05 h GLU 33 Ca 0.44 -0.08 -0.06 0.00 0.07 0.00 0.00 59.36 59.73 2f05 h GLU 33 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2f05 h GLU 33 CO -0.20 0.57 0.04 0.82 0.07 0.00 0.00 179.01 180.31 2f05 h ILE 34 N 0.13 1.26 -0.30 -1.06 2.04 -0.95 0.21 117.51 118.82 2f05 h ILE 34 Ca 0.01 -0.98 -0.18 0.00 1.00 0.00 0.00 64.86 64.70 2f05 h ILE 34 Cb 0.84 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2f05 h ILE 34 CO 0.06 0.34 -0.52 0.25 0.00 0.00 0.00 178.15 178.29 2f05 h LEU 35 N 0.64 0.97 -0.74 1.44 7.12 -1.43 0.14 115.31 123.45 2f05 h LEU 35 Ca 0.13 -0.51 -0.11 0.00 0.13 0.00 0.00 57.88 57.53 2f05 h LEU 35 Cb 0.45 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 2f05 h LEU 35 CO 0.02 1.31 -0.20 0.45 -0.13 0.00 0.00 178.44 179.89 2f05 h HIS 36 N 0.68 0.85 -0.55 1.25 3.86 -1.38 -0.74 115.15 119.12 2f05 h HIS 36 Ca 0.02 -0.18 0.07 0.00 -1.16 0.00 0.00 60.37 59.11 2f05 h HIS 36 Cb 1.13 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 29.33 2f05 h HIS 36 CO 0.07 0.89 0.24 1.15 0.86 0.00 0.00 177.93 181.14 2f05 h THR 37 N 0.66 0.87 -0.12 2.45 2.02 -0.33 0.31 112.91 118.78 2f05 h THR 37 Ca 0.10 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2f05 h THR 37 Cb 0.70 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2f05 h THR 37 CO 0.05 0.08 -0.01 0.22 0.37 0.00 0.00 175.52 176.24 2f05 h TYR 38 N 0.45 0.24 -0.60 3.16 5.03 -0.13 -0.59 116.97 124.53 2f05 h TYR 38 Ca 0.26 -0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.45 2f05 h TYR 38 Cb 0.24 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 2f05 h TYR 38 CO -0.13 0.47 0.09 1.96 -1.32 0.00 0.00 178.16 179.23 2f05 h GLN 39 N -0.07 0.97 -0.66 1.82 1.08 -0.98 -1.93 115.11 115.34 2f05 h GLN 39 Ca 0.03 -0.24 0.08 0.00 -1.45 0.00 0.00 58.65 57.07 2f05 h GLN 39 Cb 0.39 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.63 2f05 h GLN 39 CO 0.01 0.90 0.32 -0.22 -0.95 0.00 0.00 178.83 178.89 2f05 h LYS 40 N 0.91 0.56 0.00 1.46 3.64 -0.73 -0.90 116.57 121.51 2f05 h LYS 40 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2f05 h LYS 40 Cb 0.41 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2f05 h LYS 40 CO 0.01 0.37 0.00 0.93 -2.27 0.00 0.00 179.45 178.49 2f05 h GLU 41 N 0.57 0.00 0.00 1.90 4.39 -0.32 -2.85 114.58 118.27 2f05 h GLU 41 Ca 0.32 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.73 2f05 h GLU 41 Cb 0.30 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 2f05 h GLU 41 CO -0.24 0.00 -1.83 1.04 -1.16 0.00 0.00 179.01 176.82 2f05 n GLN 42 N -2.52 0.64 -1.90 2.33 1.13 -0.37 -4.94 117.38 111.75 2f05 n GLN 42 Ca 0.00 0.20 -0.29 0.00 -1.94 0.00 0.00 57.00 54.97 2f05 n GLN 42 Cb 0.16 -1.72 0.09 0.00 0.11 0.00 0.00 30.24 28.87 2f05 n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2f05 s LEU 43 N -5.85 2.54 -0.10 1.08 2.01 -1.04 -5.01 118.68 112.30 2f05 s LEU 43 Ca -0.06 0.81 -0.19 0.00 0.01 0.00 0.00 54.13 54.69 2f05 s LEU 43 Cb 0.08 -3.33 -0.28 0.00 0.01 0.00 0.00 46.19 42.68 2f05 s LEU 43 CO 0.83 -1.85 0.65 0.45 1.01 0.00 0.00 176.35 177.43 2f05 h HIS 44 N -1.02 0.39 -3.57 0.29 3.86 -1.92 -3.43 115.15 109.75 2f05 h HIS 44 Ca -0.46 -0.29 -0.61 0.00 -1.16 0.00 0.00 60.37 57.85 2f05 h HIS 44 Cb 1.32 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.65 2f05 h HIS 44 CO 0.33 1.42 -0.20 0.99 0.86 0.00 0.00 177.93 181.33 2f05 s THR 45 N -2.43 5.18 0.00 2.45 2.01 -1.26 -4.76 115.64 116.83 2f05 s THR 45 Ca -0.19 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2f05 s THR 45 Cb 0.03 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2f05 s THR 45 CO 0.76 0.21 0.00 2.29 -0.69 0.00 0.00 174.62 177.19 2f05 n LYS 46 N 4.85 0.00 0.00 4.92 2.85 -1.26 -5.01 118.16 124.51 2f05 n LYS 46 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 2f05 n LYS 46 Cb 0.51 -0.08 0.00 0.00 -0.65 0.00 0.00 35.03 34.80 2f05 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2f05 n GLY 47 N -0.53 0.88 3.73 2.58 0.00 -1.26 -5.06 105.19 105.54 2f05 n GLY 47 Ca 0.00 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.32 4.33 -0.25 1.61 3.52 -1.26 -4.86 118.95 120.71 2f05 s ARG 48 Ca 0.00 2.16 -0.41 0.00 -0.13 0.00 0.00 55.73 57.35 2f05 s ARG 48 Cb 0.00 -3.17 -0.17 0.00 -1.56 0.00 0.00 34.95 30.05 2f05 s ARG 48 CO 0.00 -0.36 1.65 -2.30 -0.81 0.00 0.00 175.30 173.48 2f05 n PRO 49 N 2.85 0.96 0.00 5.12 -0.02 -1.26 -4.84 135.00 137.81 2f05 n PRO 49 Ca 0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2f05 n PRO 49 Cb 0.42 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2f05 n PRO 49 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2f05 n PHE 50 N 4.68 0.00 -3.65 6.00 -1.74 -1.26 -5.10 117.46 116.39 2f05 n PHE 50 Ca 0.26 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 57.07 2f05 n PHE 50 Cb 0.11 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.12 2f05 n PHE 50 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2f05 n ARG 51 N -1.77 0.69 -2.80 3.97 5.12 -1.26 -5.04 116.66 115.56 2f05 n ARG 51 Ca 0.00 -1.65 -0.14 0.00 -1.93 0.00 0.00 57.85 54.13 2f05 n ARG 51 Cb 0.35 1.89 0.01 0.00 -1.16 0.00 0.00 32.46 33.55 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 -0.38 2.66 3.50 -0.13 0.00 -1.26 -5.08 105.19 104.50 2f05 n GLY 52 Ca -0.04 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 43.94 2f05 n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2f05 n MET 53 N -0.01 0.99 -3.77 1.61 1.56 -1.26 -4.94 117.12 111.30 2f05 n MET 53 Ca 0.17 0.19 -0.30 0.00 -0.27 0.00 0.00 57.70 57.49 2f05 n MET 53 Cb 0.74 -2.67 -0.04 0.00 2.15 0.00 0.00 33.22 33.41 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 9.04 6.42 0.39 6.12 0.01 -1.26 -4.96 113.70 129.46 2f05 s SER 54 Ca 1.10 0.43 0.14 0.00 1.31 0.00 0.00 55.95 58.94 2f05 s SER 54 Cb -0.68 -2.03 0.99 0.00 0.21 0.00 0.00 66.02 64.52 2f05 s SER 54 CO 0.41 0.08 1.83 -0.08 0.41 0.00 0.00 173.24 175.89 2f05 h GLU 55 N 2.74 0.49 -0.63 12.44 4.81 -1.98 -0.06 114.58 132.40 2f05 h GLU 55 Ca -0.46 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2f05 h GLU 55 Cb 1.17 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 2f05 h GLU 55 CO 0.73 0.33 0.40 0.93 -0.73 0.00 0.00 179.01 180.66 2f05 h GLU 56 N 0.51 0.77 0.00 1.92 5.08 -1.98 0.36 114.58 121.24 2f05 h GLU 56 Ca 0.50 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.70 2f05 h GLU 56 Cb 1.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2f05 h GLU 56 CO -0.23 0.51 -0.56 1.05 -1.00 0.00 0.00 179.01 178.77 2f05 h GLU 57 N 0.79 0.00 0.30 2.33 4.11 -1.46 -1.08 114.58 119.57 2f05 h GLU 57 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.66 2f05 h GLU 57 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2f05 h GLU 57 CO -0.09 0.56 -0.14 0.28 0.07 0.00 0.00 179.01 179.70 2f05 h VAL 58 N 0.00 0.74 -0.28 -1.06 2.07 -0.59 -1.05 116.25 116.08 2f05 h VAL 58 Ca -0.01 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2f05 h VAL 58 Cb 1.38 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2f05 h VAL 58 CO 0.07 0.07 0.19 0.15 0.02 0.00 0.00 177.57 178.07 2f05 h PHE 59 N -0.59 0.32 0.26 1.57 3.04 -0.20 -1.18 116.94 120.17 2f05 h PHE 59 Ca -0.04 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 2f05 h PHE 59 Cb 0.43 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.83 2f05 h PHE 59 CO -0.01 0.20 -0.12 1.15 -2.02 0.00 0.00 178.31 177.51 2f05 h THR 60 N 0.34 0.77 -0.14 4.41 2.02 -0.82 0.30 112.91 119.79 2f05 h THR 60 Ca 0.11 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 2f05 h THR 60 Cb 0.02 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2f05 h THR 60 CO -0.02 0.03 -0.21 -0.33 0.37 0.00 0.00 175.52 175.35 2f05 h GLU 61 N -0.41 0.24 -0.13 6.66 5.08 -0.05 0.40 114.58 126.36 2f05 h GLU 61 Ca -0.04 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 2f05 h GLU 61 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2f05 h GLU 61 CO 0.06 0.45 -0.42 0.28 -1.00 0.00 0.00 179.01 178.38 2f05 h VAL 62 N 0.22 1.36 -0.05 3.13 2.07 -1.16 0.93 116.25 122.75 2f05 h VAL 62 Ca 0.04 -1.71 -0.08 0.00 0.82 0.00 0.00 66.70 65.78 2f05 h VAL 62 Cb 0.51 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2f05 h VAL 62 CO 0.03 0.51 -0.32 0.00 0.02 0.00 0.00 177.57 177.82 2f05 h ALA 63 N 0.52 1.38 0.00 1.67 0.00 0.14 -0.40 119.26 122.56 2f05 h ALA 63 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2f05 h ALA 63 Cb 1.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2f05 h ALA 63 CO 0.09 0.45 -0.62 -0.97 0.00 0.00 0.00 179.25 178.20 2f05 h ASN 64 N 0.09 0.00 0.24 0.00 -1.24 -0.11 -1.82 115.58 112.74 2f05 h ASN 64 Ca 0.01 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 2f05 h ASN 64 Cb 0.61 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2f05 h ASN 64 CO 0.04 0.62 -0.12 0.25 -1.29 0.00 0.00 177.43 176.94 2f05 h LEU 65 N 0.00 -0.28 -4.80 0.34 7.12 0.15 -3.34 115.31 114.51 2f05 h LEU 65 Ca -0.01 -0.22 -0.74 0.00 0.13 0.00 0.00 57.88 57.04 2f05 h LEU 65 Cb 1.16 0.07 -0.28 0.00 -0.53 0.00 0.00 40.66 41.08 2f05 h LEU 65 CO 0.08 0.23 0.93 0.49 -0.13 0.00 0.00 178.44 180.04 2f05 n PHE 66 N -5.00 3.04 -1.87 1.25 3.72 -0.25 -5.00 117.46 113.35 2f05 n PHE 66 Ca -0.07 -2.48 -0.42 0.00 -0.05 0.00 0.00 57.45 54.44 2f05 n PHE 66 Cb 0.24 -1.17 -0.02 0.00 -0.94 0.00 0.00 39.48 37.59 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 -4.01 4.18 0.00 -1.08 0.52 -0.68 -1.86 118.95 116.02 2f05 s ARG 67 Ca 0.54 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 58.21 2f05 s ARG 67 Cb 0.45 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.85 2f05 s ARG 67 CO -0.34 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 174.83 2f05 n GLY 68 N 2.45 2.85 2.82 -3.53 0.00 -1.26 -4.89 105.19 103.63 2f05 n GLY 68 Ca 0.09 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 2.28 0.26 1.61 3.00 -0.78 -4.62 117.38 119.13 2f05 n GLN 69 Ca 0.00 -2.10 0.12 0.00 -0.01 0.00 0.00 57.00 55.01 2f05 n GLN 69 Cb 0.00 -2.98 0.69 0.00 0.00 0.00 0.00 30.24 27.95 2f05 n GLN 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2f05 h GLU 70 N 6.72 0.00 -0.33 -1.09 5.08 -1.90 -1.55 114.58 121.51 2f05 h GLU 70 Ca 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2f05 h GLU 70 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2f05 h GLU 70 CO 1.85 0.13 0.18 0.22 -1.00 0.00 0.00 179.01 180.40 2f05 h ASP 71 N 0.00 0.40 -0.16 1.42 3.58 -1.94 0.16 116.42 119.88 2f05 h ASP 71 Ca -0.00 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.30 2f05 h ASP 71 Cb 0.37 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2f05 h ASP 71 CO 0.02 0.36 -0.13 -0.07 -2.88 0.00 0.00 179.24 176.54 2f05 h LEU 72 N 0.41 0.53 -0.71 2.28 3.38 -1.67 -0.40 115.31 119.13 2f05 h LEU 72 Ca 0.12 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2f05 h LEU 72 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2f05 h LEU 72 CO -0.02 0.69 -0.53 -0.07 0.09 0.00 0.00 178.44 178.60 2f05 h LEU 73 N 0.50 0.35 -0.19 1.67 3.38 -0.95 -0.34 115.31 119.72 2f05 h LEU 73 Ca 0.09 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 2f05 h LEU 73 Cb 0.53 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2f05 h LEU 73 CO 0.03 0.82 -0.50 0.28 0.09 0.00 0.00 178.44 179.16 2f05 h SER 74 N 0.25 0.77 -0.98 -0.43 0.02 -0.23 -0.70 113.55 112.25 2f05 h SER 74 Ca 0.01 -0.57 0.04 0.00 -0.84 0.00 0.00 61.79 60.42 2f05 h SER 74 Cb 1.01 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 2f05 h SER 74 CO 0.09 1.21 0.64 -0.33 -1.14 0.00 0.00 176.83 177.29 2f05 h GLU 75 N 0.37 1.19 -0.21 3.45 4.39 -0.83 -1.29 114.58 121.64 2f05 h GLU 75 Ca -0.01 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2f05 h GLU 75 Cb 1.11 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2f05 h GLU 75 CO 0.11 0.78 0.11 0.35 -1.16 0.00 0.00 179.01 179.21 2f05 h PHE 76 N 1.22 0.30 -0.02 4.33 3.57 -0.88 0.65 116.94 126.11 2f05 h PHE 76 Ca 0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2f05 h PHE 76 Cb 0.03 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2f05 h PHE 76 CO -0.01 0.28 0.01 0.78 -2.23 0.00 0.00 178.31 177.15 2f05 h GLY 77 N 0.23 0.00 1.44 2.40 0.00 -0.41 0.61 103.07 107.34 2f05 h GLY 77 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.18 2f05 h GLY 77 CO -0.01 0.00 -1.30 1.46 0.00 0.00 0.00 176.54 176.69 2f05 h GLN 78 N 0.00 0.00 -0.05 4.80 4.20 -0.80 -3.30 115.11 119.96 2f05 h GLN 78 Ca 0.01 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.55 2f05 h GLN 78 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2f05 h GLN 78 CO -0.00 0.65 -0.72 0.35 -0.67 0.00 0.00 178.83 178.44 2f05 h PHE 79 N 0.00 0.38 -4.29 2.96 3.57 0.04 -3.46 116.94 116.14 2f05 h PHE 79 Ca -0.14 -0.17 -0.51 0.00 3.53 0.00 0.00 57.97 60.68 2f05 h PHE 79 Cb 1.81 -0.06 0.13 0.00 2.79 0.00 0.00 35.95 40.62 2f05 h PHE 79 CO 0.00 0.90 0.32 -0.51 -2.23 0.00 0.00 178.31 176.79 2f05 s LEU 80 N -7.80 2.96 -0.46 0.59 1.43 0.12 -4.92 118.68 110.60 2f05 s LEU 80 Ca -0.04 1.75 -0.27 0.00 -1.03 0.00 0.00 54.13 54.54 2f05 s LEU 80 Cb 0.11 -4.44 -0.07 0.00 0.03 0.00 0.00 46.19 41.81 2f05 s LEU 80 CO 0.82 -2.02 2.39 -0.81 0.23 0.00 0.00 176.35 176.96 2f05 n PRO 81 N -3.51 1.16 0.00 1.29 -0.04 -1.26 -4.81 135.00 127.83 2f05 n PRO 81 Ca 0.09 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2f05 n PRO 81 Cb 0.53 -3.33 0.24 0.00 -0.04 0.00 0.00 33.50 30.91 2f05 n PRO 81 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2f05 n GLU 82 N 8.93 0.14 0.27 0.54 1.02 -1.26 -4.35 120.64 125.93 2f05 n GLU 82 Ca 0.37 -0.08 0.18 0.00 -0.02 0.00 0.00 57.16 57.61 2f05 n GLU 82 Cb 0.51 -1.50 0.93 0.00 -0.02 0.00 0.00 31.44 31.36 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f05 h ALA 83 N 3.11 1.50 0.00 0.62 0.00 -1.99 0.39 119.26 122.89 2f05 h ALA 83 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2f05 h ALA 83 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2f05 h ALA 83 CO 0.00 -0.20 -0.01 1.57 0.00 0.00 0.00 179.25 180.61 2f05 h LYS 84 N 0.00 0.00 -0.02 0.00 2.10 -2.00 -3.57 116.57 113.07 2f05 h LYS 84 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2f05 h LYS 84 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2f05 h LYS 84 CO -0.00 0.00 0.00 -2.13 -2.00 0.00 0.00 179.45 175.32