#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 4.79 0.71 -1.84 0.01 -1.26 -5.01 113.70 111.09 2f05 s SER 2 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2f05 s SER 2 Cb 0.00 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.18 2f05 s SER 2 CO 0.00 0.16 0.00 -0.67 0.41 0.00 0.00 173.24 173.14 2f05 n ASP 3 N 0.45 -2.94 -2.69 2.44 2.03 -1.26 -4.44 116.55 110.14 2f05 n ASP 3 Ca -0.11 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.07 2f05 n ASP 3 Cb 0.53 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.95 2f05 n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2f05 n SER 4 N -2.01 1.98 -0.03 1.67 7.64 -1.26 -4.96 113.62 116.64 2f05 n SER 4 Ca 0.00 -2.92 -0.08 0.00 1.01 0.00 0.00 58.87 56.87 2f05 n SER 4 Cb 0.00 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.65 2f05 n SER 4 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2f05 h VAL 5 N 2.75 0.67 -0.06 0.44 2.07 -1.99 0.61 116.25 120.74 2f05 h VAL 5 Ca -0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 2f05 h VAL 5 Cb 1.10 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2f05 h VAL 5 CO 0.56 0.00 -0.47 -0.33 0.02 0.00 0.00 177.57 177.35 2f05 h GLU 6 N -0.09 0.15 -0.22 1.57 4.39 -1.94 -1.18 114.58 117.26 2f05 h GLU 6 Ca 0.11 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.55 2f05 h GLU 6 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2f05 h GLU 6 CO -0.25 0.59 -0.59 0.35 -1.16 0.00 0.00 179.01 177.96 2f05 h PHE 7 N 0.12 0.89 -0.59 4.33 3.57 -1.74 -2.31 116.94 121.22 2f05 h PHE 7 Ca 0.01 -0.33 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 2f05 h PHE 7 Cb 0.88 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 2f05 h PHE 7 CO 0.01 1.12 0.23 -0.91 -2.23 0.00 0.00 178.31 176.53 2f05 h ASN 8 N 0.53 0.79 -0.78 0.41 2.35 0.10 0.51 115.58 119.49 2f05 h ASN 8 Ca 0.00 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 2f05 h ASN 8 Cb 1.17 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.30 2f05 h ASN 8 CO 0.12 0.72 0.37 0.78 -1.65 0.00 0.00 177.43 177.77 2f05 h ASN 9 N 0.85 1.02 -0.39 5.81 2.35 -1.05 0.15 115.58 124.32 2f05 h ASN 9 Ca 0.20 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 2f05 h ASN 9 Cb 0.18 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2f05 h ASN 9 CO -0.02 0.87 -0.02 0.00 -1.65 0.00 0.00 177.43 176.61 2f05 h ALA 10 N 1.19 0.53 -0.65 -0.83 0.00 -0.64 -2.94 119.26 115.91 2f05 h ALA 10 Ca 0.27 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2f05 h ALA 10 Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2f05 h ALA 10 CO -0.03 0.33 0.24 0.82 0.00 0.00 0.00 179.25 180.60 2f05 h ILE 11 N 0.53 1.24 -0.81 0.00 1.08 0.41 -1.80 117.51 118.17 2f05 h ILE 11 Ca 0.11 -0.79 0.06 0.00 -0.39 0.00 0.00 64.86 63.85 2f05 h ILE 11 Cb 0.50 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 2f05 h ILE 11 CO 0.02 0.31 0.53 0.28 -0.69 0.00 0.00 178.15 178.60 2f05 h SER 12 N 0.93 0.78 -0.03 1.72 0.02 -0.62 0.63 113.55 116.97 2f05 h SER 12 Ca 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2f05 h SER 12 Cb 0.24 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2f05 h SER 12 CO -0.01 0.50 -0.00 0.22 -1.14 0.00 0.00 176.83 176.40 2f05 h TYR 13 N 0.89 0.07 -0.45 3.45 3.20 -1.26 -2.56 116.97 120.31 2f05 h TYR 13 Ca 0.35 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 2f05 h TYR 13 Cb 0.22 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2f05 h TYR 13 CO -0.00 0.38 0.06 0.28 -1.64 0.00 0.00 178.16 177.23 2f05 h VAL 14 N -0.26 1.25 -0.80 1.81 2.07 -0.41 -2.40 116.25 117.51 2f05 h VAL 14 Ca 0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2f05 h VAL 14 Cb 0.35 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2f05 h VAL 14 CO 0.00 0.32 0.51 -1.13 0.02 0.00 0.00 177.57 177.30 2f05 h ASN 15 N 0.61 0.93 -0.55 0.57 -1.24 0.16 0.22 115.58 116.27 2f05 h ASN 15 Ca 0.13 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 2f05 h ASN 15 Cb 0.41 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 2f05 h ASN 15 CO 0.01 0.69 0.24 0.50 -1.29 0.00 0.00 177.43 177.58 2f05 h LYS 16 N 1.09 0.81 0.19 6.67 3.64 -1.17 -0.99 116.57 126.80 2f05 h LYS 16 Ca 0.29 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2f05 h LYS 16 Cb -0.10 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 2f05 h LYS 16 CO -0.06 0.69 -0.09 0.82 -2.27 0.00 0.00 179.45 178.53 2f05 h ILE 17 N 0.74 0.83 -0.58 2.00 2.04 -0.71 0.15 117.51 121.98 2f05 h ILE 17 Ca 0.18 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 66.05 2f05 h ILE 17 Cb 0.17 0.90 -0.11 0.00 -0.74 0.00 0.00 36.82 37.04 2f05 h ILE 17 CO -0.02 0.03 -0.10 0.11 0.00 0.00 0.00 178.15 178.17 2f05 h LYS 18 N -0.31 0.03 -0.13 2.37 1.57 -0.26 0.08 116.57 119.91 2f05 h LYS 18 Ca -0.03 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 2f05 h LYS 18 Cb 0.24 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.55 2f05 h LYS 18 CO 0.04 0.02 -0.70 1.15 -0.57 0.00 0.00 179.45 179.39 2f05 h THR 19 N 0.03 1.30 0.00 -0.16 2.02 -1.12 -1.59 112.91 113.40 2f05 h THR 19 Ca 0.29 -1.94 -0.07 0.00 0.77 0.00 0.00 66.41 65.46 2f05 h THR 19 Cb 0.44 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2f05 h THR 19 CO -0.56 0.60 -0.33 0.03 0.37 0.00 0.00 175.52 175.64 2f05 h ARG 20 N 0.41 0.00 -0.38 6.66 2.47 -0.20 -2.73 114.38 120.60 2f05 h ARG 20 Ca -0.05 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.38 2f05 h ARG 20 Cb 1.34 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.38 2f05 h ARG 20 CO 0.15 0.33 -0.78 1.19 0.56 0.00 0.00 179.97 181.41 2f05 n PHE 21 N -3.66 1.35 0.22 3.04 3.72 -0.06 -4.75 117.46 117.33 2f05 n PHE 21 Ca -0.01 -1.79 0.07 0.00 -0.05 0.00 0.00 57.45 55.67 2f05 n PHE 21 Cb 0.44 -0.28 0.52 0.00 -0.94 0.00 0.00 39.48 39.22 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 1.72 0.00 0.00 4.37 6.46 -0.96 0.00 115.31 126.91 2f05 h LEU 22 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 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 0.36 0.24 -0.09 -0.78 -0.62 0.00 0.00 178.44 177.55 2f05 h ASP 23 N 0.00 0.00 -2.62 1.25 3.58 -1.84 -3.40 116.42 113.38 2f05 h ASP 23 Ca -0.00 -0.02 -0.60 0.00 0.42 0.00 0.00 57.03 56.83 2f05 h ASP 23 Cb 0.49 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.14 2f05 h ASP 23 CO 0.03 0.01 -0.87 -1.00 -2.88 0.00 0.00 179.24 174.53 2f05 s HIS 24 N -3.14 1.60 0.60 0.28 3.76 -0.01 -4.95 115.29 113.42 2f05 s HIS 24 Ca 0.09 -2.46 0.31 0.00 -0.15 0.00 0.00 55.06 52.86 2f05 s HIS 24 Cb 0.11 -1.34 1.87 0.00 1.11 0.00 0.00 32.58 34.33 2f05 s HIS 24 CO 0.63 -0.77 2.25 -1.35 -0.85 0.00 0.00 174.74 174.65 2f05 h PRO 25 N 5.83 0.00 -0.27 8.40 0.11 -1.79 -2.10 132.00 142.17 2f05 h PRO 25 Ca 0.20 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 2f05 h PRO 25 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2f05 h PRO 25 CO 0.43 0.00 -0.01 1.05 -0.21 0.00 0.00 178.00 179.27 2f05 h GLU 26 N 0.00 0.41 -0.44 1.05 4.11 -1.92 -0.82 114.58 116.97 2f05 h GLU 26 Ca 0.01 -0.08 -0.14 0.00 0.07 0.00 0.00 59.36 59.23 2f05 h GLU 26 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2f05 h GLU 26 CO -0.00 0.45 -0.26 0.82 0.07 0.00 0.00 179.01 180.09 2f05 h ILE 27 N 0.40 1.27 -0.10 -1.06 2.04 -1.72 0.46 117.51 118.80 2f05 h ILE 27 Ca 0.09 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 2f05 h ILE 27 Cb 0.28 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2f05 h ILE 27 CO 0.01 0.48 0.04 0.22 0.00 0.00 0.00 178.15 178.90 2f05 h TYR 28 N 0.80 0.16 -0.40 1.37 3.20 -1.51 -1.46 116.97 119.13 2f05 h TYR 28 Ca 0.10 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 2f05 h TYR 28 Cb 0.83 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2f05 h TYR 28 CO 0.05 0.28 -0.27 0.00 -1.64 0.00 0.00 178.16 176.58 2f05 h ARG 29 N -0.00 0.89 0.00 1.82 3.08 -0.87 -0.42 114.38 118.89 2f05 h ARG 29 Ca 0.03 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.61 2f05 h ARG 29 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2f05 h ARG 29 CO -0.00 1.08 -0.24 1.03 -1.07 0.00 0.00 179.97 180.76 2f05 h SER 30 N 0.71 0.00 -0.06 7.04 0.87 -0.04 -0.01 113.55 122.06 2f05 h SER 30 Ca 0.08 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.44 2f05 h SER 30 Cb 0.85 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2f05 h SER 30 CO 0.07 0.24 -0.76 0.15 -0.53 0.00 0.00 176.83 176.01 2f05 h PHE 31 N 0.00 0.88 -0.65 2.24 3.57 -0.85 -3.28 116.94 118.85 2f05 h PHE 31 Ca -0.00 -0.44 0.07 0.00 3.53 0.00 0.00 57.97 61.13 2f05 h PHE 31 Cb 0.46 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2f05 h PHE 31 CO 0.00 1.25 0.43 -0.07 -2.23 0.00 0.00 178.31 177.70 2f05 h LEU 32 N 0.26 0.56 -1.71 0.59 3.38 -0.01 0.06 115.31 118.43 2f05 h LEU 32 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2f05 h LEU 32 Cb 1.42 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2f05 h LEU 32 CO 0.15 0.36 -0.00 1.05 0.09 0.00 0.00 178.44 180.09 2f05 h GLU 33 N 0.63 0.17 -0.02 1.13 4.11 -1.10 0.17 114.58 119.67 2f05 h GLU 33 Ca 0.28 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.57 2f05 h GLU 33 Cb 0.31 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.53 2f05 h GLU 33 CO -0.09 0.20 -0.47 0.82 0.07 0.00 0.00 179.01 179.54 2f05 h ILE 34 N 0.17 1.45 -0.64 -1.06 2.04 -1.10 -2.01 117.51 116.36 2f05 h ILE 34 Ca 0.04 -1.97 -0.06 0.00 1.00 0.00 0.00 64.86 63.87 2f05 h ILE 34 Cb 0.13 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 2f05 h ILE 34 CO 0.00 0.57 0.18 0.25 0.00 0.00 0.00 178.15 179.14 2f05 h LEU 35 N -0.19 0.95 -0.49 1.44 7.12 -0.48 0.36 115.31 124.02 2f05 h LEU 35 Ca -0.05 -0.22 -0.06 0.00 0.13 0.00 0.00 57.88 57.68 2f05 h LEU 35 Cb 1.17 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 41.03 2f05 h LEU 35 CO 0.09 0.93 0.08 0.45 -0.13 0.00 0.00 178.44 179.86 2f05 h HIS 36 N 0.94 0.87 -0.96 1.25 3.86 -0.76 0.12 115.15 120.46 2f05 h HIS 36 Ca 0.20 -0.12 0.07 0.00 -1.16 0.00 0.00 60.37 59.36 2f05 h HIS 36 Cb 0.33 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 28.50 2f05 h HIS 36 CO 0.02 0.79 0.62 1.15 0.86 0.00 0.00 177.93 181.37 2f05 h THR 37 N 0.69 1.06 -0.08 2.45 2.02 -0.79 -0.51 112.91 117.76 2f05 h THR 37 Ca 0.15 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2f05 h THR 37 Cb 0.39 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2f05 h THR 37 CO 0.01 0.20 -0.08 0.22 0.37 0.00 0.00 175.52 176.25 2f05 h TYR 38 N 1.11 0.23 0.00 3.16 3.20 0.20 -2.25 116.97 122.62 2f05 h TYR 38 Ca 0.42 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 2f05 h TYR 38 Cb 0.19 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2f05 h TYR 38 CO -0.01 0.62 -0.33 1.96 -1.64 0.00 0.00 178.16 178.76 2f05 h GLN 39 N -0.24 0.00 -0.19 1.82 4.20 -0.49 -1.47 115.11 118.75 2f05 h GLN 39 Ca 0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 2f05 h GLN 39 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2f05 h GLN 39 CO 0.02 0.33 -0.44 -0.22 -0.67 0.00 0.00 178.83 177.85 2f05 h LYS 40 N 0.00 0.47 -0.48 1.46 3.64 -1.03 -3.12 116.57 117.50 2f05 h LYS 40 Ca -0.00 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 2f05 h LYS 40 Cb 0.65 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2f05 h LYS 40 CO 0.04 0.82 0.03 1.49 -2.27 0.00 0.00 179.45 179.56 2f05 h GLU 41 N 0.38 0.79 0.00 1.90 4.57 -0.65 -1.39 114.58 120.18 2f05 h GLU 41 Ca 0.03 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2f05 h GLU 41 Cb 0.93 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2f05 h GLU 41 CO 0.08 0.78 0.00 0.00 -1.18 0.00 0.00 179.01 178.69 2f05 n GLN 42 N -4.23 0.78 0.00 1.92 10.64 -0.97 -0.91 117.38 124.61 2f05 n GLN 42 Ca 0.03 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.30 2f05 n GLN 42 Cb 0.28 -1.44 -0.05 0.00 -0.86 0.00 0.00 30.24 28.17 2f05 n GLN 42 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2f05 n LEU 43 N -0.94 1.61 -0.10 2.61 7.99 -0.53 -4.22 117.00 123.42 2f05 n LEU 43 Ca 0.16 -0.66 -0.24 0.00 -0.01 0.00 0.00 56.01 55.27 2f05 n LEU 43 Cb 0.08 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.27 2f05 n LEU 43 CO 0.12 0.32 -0.93 1.41 -1.51 0.00 0.00 177.39 176.81 2f05 n HIS 44 N -0.59 0.66 -2.61 -1.77 8.25 -0.09 -4.71 115.22 114.37 2f05 n HIS 44 Ca 0.07 0.24 -0.42 0.00 -0.26 0.00 0.00 57.72 57.35 2f05 n HIS 44 Cb 0.41 -1.07 -0.03 0.00 1.12 0.00 0.00 29.99 30.41 2f05 n HIS 44 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2f05 s THR 45 N -2.46 3.89 0.00 1.59 2.01 -0.14 -4.53 115.64 116.00 2f05 s THR 45 Ca -0.31 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2f05 s THR 45 Cb 0.09 -4.83 0.00 0.00 0.01 0.00 0.00 72.50 67.77 2f05 s THR 45 CO 0.59 -1.67 0.00 2.29 -0.69 0.00 0.00 174.62 175.15 2f05 n LYS 46 N 8.88 0.00 -0.01 4.92 2.85 -1.26 -4.67 118.16 128.87 2f05 n LYS 46 Ca 0.03 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.19 2f05 n LYS 46 Cb 0.48 -0.36 -0.08 0.00 -0.65 0.00 0.00 35.03 34.42 2f05 n LYS 46 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2f05 h GLY 47 N 0.00 -0.09 -3.82 2.58 0.00 -1.97 -3.48 103.07 96.29 2f05 h GLY 47 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 2f05 h GLY 47 CO 0.00 -0.03 -0.21 -1.60 0.00 0.00 0.00 176.54 174.69 2f05 s ARG 48 N -2.69 0.83 -0.49 4.80 3.52 -1.26 -5.11 118.95 118.56 2f05 s ARG 48 Ca -0.13 -0.46 -0.45 0.00 -0.13 0.00 0.00 55.73 54.56 2f05 s ARG 48 Cb -0.01 0.36 -0.19 0.00 -1.56 0.00 0.00 34.95 33.55 2f05 s ARG 48 CO 0.48 -0.27 1.68 -2.30 -0.81 0.00 0.00 175.30 174.07 2f05 n PRO 49 N 0.58 0.00 -4.44 5.12 -0.02 -1.26 -4.77 135.00 130.21 2f05 n PRO 49 Ca -0.19 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.06 2f05 n PRO 49 Cb 0.59 -1.46 -0.10 0.00 -0.02 0.00 0.00 33.50 32.51 2f05 n PRO 49 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2f05 s PHE 50 N 3.57 2.18 -0.06 6.00 5.36 -1.26 -5.07 117.98 128.70 2f05 s PHE 50 Ca 1.06 -0.38 -0.30 0.00 -0.96 0.00 0.00 56.93 56.35 2f05 s PHE 50 Cb -1.46 -0.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.22 2f05 s PHE 50 CO 0.76 0.63 1.10 1.03 -1.46 0.00 0.00 175.22 177.28 2f05 s ARG 51 N -3.43 4.41 0.00 10.12 3.00 -1.26 -4.87 118.95 126.92 2f05 s ARG 51 Ca 0.27 1.54 0.00 0.00 0.00 0.00 0.00 55.73 57.54 2f05 s ARG 51 Cb -0.05 -3.52 0.00 0.00 0.00 0.00 0.00 34.95 31.38 2f05 s ARG 51 CO 0.13 -0.34 0.00 0.41 0.00 0.00 0.00 175.30 175.50 2f05 n GLY 52 N 3.19 1.75 3.56 -3.53 0.00 -1.26 -5.04 105.19 103.86 2f05 n GLY 52 Ca 0.09 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 1.98 2.50 0.41 1.61 1.75 -1.26 -4.94 119.30 121.35 2f05 s MET 53 Ca 0.00 1.36 -0.21 0.00 -1.25 0.00 0.00 55.69 55.58 2f05 s MET 53 Cb 0.00 -4.47 -0.11 0.00 2.84 0.00 0.00 34.83 33.09 2f05 s MET 53 CO 0.00 -2.83 0.93 -1.12 -0.65 0.00 0.00 175.02 171.35 2f05 s SER 54 N 10.10 6.98 0.43 1.11 0.01 -1.26 -4.87 113.70 126.20 2f05 s SER 54 Ca 0.90 1.68 0.11 0.00 1.31 0.00 0.00 55.95 59.95 2f05 s SER 54 Cb -0.19 -2.53 0.97 0.00 0.21 0.00 0.00 66.02 64.47 2f05 s SER 54 CO 0.27 -0.31 2.02 -0.08 0.41 0.00 0.00 173.24 175.55 2f05 h GLU 55 N 2.10 0.44 -0.62 12.44 4.81 -1.98 0.42 114.58 132.19 2f05 h GLU 55 Ca -0.49 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2f05 h GLU 55 Cb 1.18 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2f05 h GLU 55 CO 0.62 0.29 0.40 1.49 -0.73 0.00 0.00 179.01 181.08 2f05 h GLU 56 N 0.45 0.79 0.00 1.92 4.81 -1.98 0.18 114.58 120.75 2f05 h GLU 56 Ca 0.21 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2f05 h GLU 56 Cb 0.26 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2f05 h GLU 56 CO -0.05 0.52 -0.43 1.05 -0.73 0.00 0.00 179.01 179.37 2f05 h GLU 57 N 0.81 0.00 0.34 1.92 4.11 -1.38 -1.90 114.58 118.48 2f05 h GLU 57 Ca 0.23 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.65 2f05 h GLU 57 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2f05 h GLU 57 CO -0.06 0.43 -0.16 0.28 0.07 0.00 0.00 179.01 179.56 2f05 h VAL 58 N 0.00 0.68 0.00 -1.06 2.07 -0.44 -2.82 116.25 114.69 2f05 h VAL 58 Ca -0.00 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2f05 h VAL 58 Cb 1.26 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2f05 h VAL 58 CO 0.06 0.06 -0.07 0.15 0.02 0.00 0.00 177.57 177.79 2f05 h PHE 59 N -0.63 0.00 0.23 1.57 3.57 -0.53 -2.57 116.94 118.58 2f05 h PHE 59 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2f05 h PHE 59 Cb 0.45 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2f05 h PHE 59 CO -0.01 0.07 -0.21 1.15 -2.23 0.00 0.00 178.31 177.08 2f05 h THR 60 N 0.00 0.55 -0.01 4.41 2.02 -1.08 0.54 112.91 119.35 2f05 h THR 60 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2f05 h THR 60 Cb 0.16 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2f05 h THR 60 CO 0.01 0.00 -0.51 -0.33 0.37 0.00 0.00 175.52 175.06 2f05 h GLU 61 N -0.46 0.02 -0.15 6.66 5.08 -1.42 -0.25 114.58 124.07 2f05 h GLU 61 Ca -0.01 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2f05 h GLU 61 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2f05 h GLU 61 CO -0.03 0.53 -0.33 0.28 -1.00 0.00 0.00 179.01 178.46 2f05 h VAL 62 N 0.02 1.36 -0.44 3.13 2.07 -1.21 0.16 116.25 121.34 2f05 h VAL 62 Ca -0.00 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 2f05 h VAL 62 Cb 0.92 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 2f05 h VAL 62 CO 0.07 0.48 0.01 0.00 0.02 0.00 0.00 177.57 178.14 2f05 h ALA 63 N 0.55 1.19 0.00 1.67 0.00 0.29 -0.38 119.26 122.59 2f05 h ALA 63 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2f05 h ALA 63 Cb 0.93 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2f05 h ALA 63 CO 0.07 0.53 -0.56 -0.97 0.00 0.00 0.00 179.25 178.32 2f05 h ASN 64 N 0.67 0.00 0.23 0.00 -1.24 -0.99 -2.09 115.58 112.15 2f05 h ASN 64 Ca 0.14 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 2f05 h ASN 64 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 2f05 h ASN 64 CO 0.01 0.56 -0.11 0.25 -1.29 0.00 0.00 177.43 176.86 2f05 h LEU 65 N 0.00 -0.26 -4.77 0.34 7.12 0.23 -3.32 115.31 114.66 2f05 h LEU 65 Ca -0.01 -0.27 -0.75 0.00 0.13 0.00 0.00 57.88 56.99 2f05 h LEU 65 Cb 1.06 0.07 -0.27 0.00 -0.53 0.00 0.00 40.66 40.99 2f05 h LEU 65 CO 0.07 0.24 1.02 0.49 -0.13 0.00 0.00 178.44 180.13 2f05 n PHE 66 N -5.00 3.01 -1.68 1.25 3.72 -0.24 -4.99 117.46 113.53 2f05 n PHE 66 Ca -0.08 -2.47 -0.43 0.00 -0.05 0.00 0.00 57.45 54.42 2f05 n PHE 66 Cb 0.26 -1.25 -0.03 0.00 -0.94 0.00 0.00 39.48 37.52 2f05 n PHE 66 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2f05 n ARG 67 N -0.60 2.76 0.00 -1.08 1.74 -0.79 -1.25 116.66 117.44 2f05 n ARG 67 Ca 0.56 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.64 2f05 n ARG 67 Cb 0.33 -2.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 2f05 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f05 n GLY 68 N 4.27 2.81 2.99 -0.13 0.00 -1.26 -4.95 105.19 108.92 2f05 n GLY 68 Ca 0.19 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 3.27 0.32 1.61 1.13 -0.38 -4.71 117.38 118.62 2f05 n GLN 69 Ca 0.00 -3.22 0.21 0.00 -1.94 0.00 0.00 57.00 52.05 2f05 n GLN 69 Cb 0.00 -3.14 1.08 0.00 0.11 0.00 0.00 30.24 28.29 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 6.25 0.00 0.48 -1.09 5.08 -1.93 -2.06 114.58 121.31 2f05 h GLU 70 Ca 0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2f05 h GLU 70 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2f05 h GLU 70 CO 1.64 0.01 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.90 2f05 h ASP 71 N 0.00 -0.82 -0.04 1.42 5.19 -1.95 -0.07 116.42 120.14 2f05 h ASP 71 Ca -0.00 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 2f05 h ASP 71 Cb 0.12 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 2f05 h ASP 71 CO 0.00 -0.49 -0.18 -0.07 -3.12 0.00 0.00 179.24 175.38 2f05 h LEU 72 N -0.77 0.39 -0.42 1.55 3.38 -1.77 0.63 115.31 118.30 2f05 h LEU 72 Ca -0.05 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 2f05 h LEU 72 Cb 0.64 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2f05 h LEU 72 CO 0.03 0.59 -0.58 -0.07 0.09 0.00 0.00 178.44 178.50 2f05 h LEU 73 N 0.37 0.73 0.02 1.67 3.38 -1.17 0.24 115.31 120.55 2f05 h LEU 73 Ca 0.07 -0.40 -0.19 0.00 0.09 0.00 0.00 57.88 57.44 2f05 h LEU 73 Cb 0.53 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2f05 h LEU 73 CO 0.03 1.15 -0.74 0.28 0.09 0.00 0.00 178.44 179.26 2f05 h SER 74 N 0.49 0.62 1.14 -0.43 0.02 -0.72 -3.19 113.55 111.48 2f05 h SER 74 Ca 0.00 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 2f05 h SER 74 Cb 1.15 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2f05 h SER 74 CO 0.11 1.32 0.00 -0.33 -1.14 0.00 0.00 176.83 176.79 2f05 h GLU 75 N -0.01 0.00 -0.60 3.45 5.08 -0.77 -2.58 114.58 119.14 2f05 h GLU 75 Ca -0.10 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2f05 h GLU 75 Cb 1.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2f05 h GLU 75 CO 0.14 0.00 0.08 0.35 -1.00 0.00 0.00 179.01 178.59 2f05 h PHE 76 N 0.00 1.04 -0.51 4.33 3.57 -0.50 -0.66 116.94 124.21 2f05 h PHE 76 Ca 0.00 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 2f05 h PHE 76 Cb 0.57 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2f05 h PHE 76 CO 0.00 0.89 0.22 0.78 -2.23 0.00 0.00 178.31 177.97 2f05 h GLY 77 N 1.02 0.80 2.00 2.40 0.00 -1.48 -2.17 103.07 105.64 2f05 h GLY 77 Ca 0.18 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2f05 h GLY 77 CO 0.01 0.40 -0.29 1.46 0.00 0.00 0.00 176.54 178.13 2f05 h GLN 78 N 0.68 0.00 0.00 4.80 4.20 -1.50 -1.32 115.11 121.97 2f05 h GLN 78 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2f05 h GLN 78 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2f05 h GLN 78 CO -0.02 0.29 0.00 0.35 -0.67 0.00 0.00 178.83 178.78 2f05 h PHE 79 N 0.00 0.00 -2.64 2.96 3.57 -0.52 -3.45 116.94 116.85 2f05 h PHE 79 Ca -0.00 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.01 2f05 h PHE 79 Cb 0.60 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2f05 h PHE 79 CO 0.00 0.00 -0.30 -0.51 -2.23 0.00 0.00 178.31 175.27 2f05 s LEU 80 N -6.08 4.16 0.40 0.59 1.02 -0.50 -5.08 118.68 113.19 2f05 s LEU 80 Ca 0.03 0.33 -0.24 0.00 0.02 0.00 0.00 54.13 54.27 2f05 s LEU 80 Cb 0.08 -3.15 -0.08 0.00 0.02 0.00 0.00 46.19 43.05 2f05 s LEU 80 CO 0.58 -0.16 1.11 -2.16 0.02 0.00 0.00 176.35 175.74 2f05 s PRO 81 N -3.94 4.07 -1.57 1.29 0.04 -1.26 -3.97 135.00 129.66 2f05 s PRO 81 Ca 0.38 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 2f05 s PRO 81 Cb -0.10 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2f05 s PRO 81 CO 0.32 -0.26 0.43 -1.91 0.04 0.00 0.00 177.00 175.62 2f05 n GLU 82 N -0.03 -3.92 0.23 4.56 4.07 -1.26 -4.88 120.64 119.40 2f05 n GLU 82 Ca 0.05 0.91 0.07 0.00 -0.06 0.00 0.00 57.16 58.13 2f05 n GLU 82 Cb 0.48 -5.66 0.53 0.00 -0.06 0.00 0.00 31.44 26.73 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2f05 h ALA 83 N 0.97 1.44 0.00 4.31 0.00 -1.82 -1.70 119.26 122.45 2f05 h ALA 83 Ca -0.51 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2f05 h ALA 83 Cb 1.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2f05 h ALA 83 CO 0.56 0.27 -0.27 1.57 0.00 0.00 0.00 179.25 181.38 2f05 h LYS 84 N 0.00 0.00 -0.02 0.00 -0.00 -1.93 -3.49 116.57 111.13 2f05 h LYS 84 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2f05 h LYS 84 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.67 2f05 h LYS 84 CO 0.03 0.00 0.00 -2.13 -0.00 0.00 0.00 179.45 177.35