#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0r n VAL 3 N 0.00 4.61 -3.62 -1.45 3.14 -1.26 -4.97 118.33 114.79 1a0r n VAL 3 Ca 0.00 -4.43 -0.37 0.00 -2.96 0.00 0.00 64.34 56.58 1a0r n VAL 3 Cb 0.00 -2.28 -0.06 0.00 -1.06 0.00 0.00 33.84 30.44 1a0r n VAL 3 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1a0r s ILE 4 N -0.12 5.17 -0.40 1.55 -1.09 -1.26 -5.07 121.20 119.98 1a0r s ILE 4 Ca 0.43 0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 59.35 1a0r s ILE 4 Cb 0.12 -3.62 0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1a0r s ILE 4 CO -0.02 0.57 0.26 0.20 -1.23 0.00 0.00 174.94 174.72 1a0r s ASN 5 N -1.13 5.85 0.15 3.58 0.01 -1.26 -5.02 114.94 117.13 1a0r s ASN 5 Ca 0.22 -1.09 -0.26 0.00 -0.71 0.00 0.00 52.86 51.03 1a0r s ASN 5 Cb -0.15 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.44 1a0r s ASN 5 CO 0.11 -0.45 1.60 -0.29 -1.51 0.00 0.00 177.10 176.55 1a0r h ILE 6 N 5.84 0.22 0.00 0.60 6.09 -2.00 -2.99 117.51 125.27 1a0r h ILE 6 Ca -0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1a0r h ILE 6 Cb 1.10 0.22 0.00 0.00 0.47 0.00 0.00 36.82 38.61 1a0r h ILE 6 CO 0.72 0.00 0.13 -0.62 -3.07 0.00 0.00 178.15 175.31 1a0r n GLU 7 N -5.42 0.00 0.00 2.19 -0.58 -1.26 -1.61 120.64 113.96 1a0r n GLU 7 Ca -0.02 0.35 0.10 0.00 -0.42 0.00 0.00 57.16 57.17 1a0r n GLU 7 Cb 0.34 -1.63 -0.11 0.00 -0.57 0.00 0.00 31.44 29.47 1a0r n GLU 7 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1a0r n ASP 8 N -1.34 1.07 -4.81 1.62 8.00 -1.13 -4.98 116.55 114.98 1a0r n ASP 8 Ca 0.00 -1.03 -0.33 0.00 0.71 0.00 0.00 54.79 54.13 1a0r n ASP 8 Cb 0.13 0.95 -0.02 0.00 -0.02 0.00 0.00 41.12 42.16 1a0r n ASP 8 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a0r s LEU 9 N -2.92 3.70 0.33 0.64 1.43 -0.63 -5.06 118.68 116.16 1a0r s LEU 9 Ca 0.09 1.83 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 1a0r s LEU 9 Cb 0.16 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 1a0r s LEU 9 CO 0.82 -0.87 0.46 -0.89 0.23 0.00 0.00 176.35 176.10 1a0r s THR 10 N -2.23 4.14 0.34 5.49 2.01 -1.26 -5.00 115.64 119.13 1a0r s THR 10 Ca 0.65 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1a0r s THR 10 Cb -0.15 -3.43 0.30 0.00 0.01 0.00 0.00 72.50 69.23 1a0r s THR 10 CO 0.27 -0.17 1.91 -0.08 -0.69 0.00 0.00 174.62 175.85 1a0r h GLU 11 N 0.92 0.79 0.31 4.92 4.57 -2.00 -2.45 114.58 121.65 1a0r h GLU 11 Ca -0.46 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 1a0r h GLU 11 Cb 1.25 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1a0r h GLU 11 CO 0.53 0.53 -0.15 1.57 -1.18 0.00 0.00 179.01 180.31 1a0r h LYS 12 N 0.82 -0.40 0.00 1.92 2.10 -1.99 -2.78 116.57 116.24 1a0r h LYS 12 Ca 0.39 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1a0r h LYS 12 Cb 0.43 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1a0r h LYS 12 CO -0.16 -0.27 0.00 -0.40 -2.00 0.00 0.00 179.45 176.62 1a0r n ASP 13 N -3.36 0.00 0.06 7.07 5.68 -1.19 -0.67 116.55 124.14 1a0r n ASP 13 Ca -0.05 0.25 -0.22 0.00 -0.50 0.00 0.00 54.79 54.27 1a0r n ASP 13 Cb 0.16 -0.32 -0.15 0.00 -1.14 0.00 0.00 41.12 39.67 1a0r n ASP 13 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1a0r h LYS 14 N 0.00 0.35 -0.10 0.11 1.57 -1.42 -2.16 116.57 114.91 1a0r h LYS 14 Ca 0.00 -0.59 -0.10 0.00 -1.87 0.00 0.00 60.65 58.08 1a0r h LYS 14 Cb 0.07 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1a0r h LYS 14 CO 0.00 1.28 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.69 1a0r h LEU 15 N -0.20 0.24 -0.13 2.94 3.38 -0.60 -0.01 115.31 120.94 1a0r h LEU 15 Ca -0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1a0r h LEU 15 Cb 1.83 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 1a0r h LEU 15 CO 0.16 0.62 0.02 0.11 0.09 0.00 0.00 178.44 179.44 1a0r h LYS 16 N 0.19 0.20 -0.13 1.13 1.57 -0.93 0.14 116.57 118.75 1a0r h LYS 16 Ca 0.02 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1a0r h LYS 16 Cb 0.80 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1a0r h LYS 16 CO 0.06 0.39 -0.19 0.52 -0.57 0.00 0.00 179.45 179.66 1a0r h MET 17 N -0.01 0.21 0.22 3.15 2.86 -1.11 -0.20 114.93 120.05 1a0r h MET 17 Ca 0.04 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1a0r h MET 17 Cb 0.28 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1a0r h MET 17 CO 0.00 0.40 -0.10 1.49 1.06 0.00 0.00 176.91 179.76 1a0r h GLU 18 N 0.19 -0.28 -0.57 1.72 4.81 -0.59 -1.23 114.58 118.63 1a0r h GLU 18 Ca 0.04 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1a0r h GLU 18 Cb 0.46 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1a0r h GLU 18 CO 0.03 0.04 0.24 -0.39 -0.73 0.00 0.00 179.01 178.21 1a0r h VAL 19 N -0.63 1.20 -0.47 0.32 -1.51 -0.53 0.19 116.25 114.82 1a0r h VAL 19 Ca -0.03 -0.60 -0.02 0.00 -1.23 0.00 0.00 66.70 64.82 1a0r h VAL 19 Cb 0.45 0.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 1a0r h VAL 19 CO 0.05 0.24 0.23 0.44 -1.23 0.00 0.00 177.57 177.30 1a0r h ASP 20 N 0.81 0.60 -0.37 4.19 3.32 -0.98 0.16 116.42 124.16 1a0r h ASP 20 Ca 0.20 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1a0r h ASP 20 Cb 0.14 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1a0r h ASP 20 CO -0.02 0.55 0.06 -0.61 -1.72 0.00 0.00 179.24 177.51 1a0r h GLN 21 N 0.61 0.61 -0.65 3.56 5.75 -0.51 -2.44 115.11 122.05 1a0r h GLN 21 Ca 0.16 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1a0r h GLN 21 Cb 0.10 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1a0r h GLN 21 CO -0.02 0.67 0.36 -0.07 -2.65 0.00 0.00 178.83 177.12 1a0r h LEU 22 N 0.45 0.80 -0.43 -2.39 3.38 -0.30 0.30 115.31 117.13 1a0r h LEU 22 Ca 0.11 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1a0r h LEU 22 Cb 0.35 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1a0r h LEU 22 CO 0.01 0.66 0.17 0.11 0.09 0.00 0.00 178.44 179.48 1a0r h LYS 23 N 0.88 0.34 -0.52 1.13 1.57 -0.55 0.11 116.57 119.53 1a0r h LYS 23 Ca 0.23 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1a0r h LYS 23 Cb 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1a0r h LYS 23 CO -0.04 0.23 0.18 -0.22 -0.57 0.00 0.00 179.45 179.03 1a0r h LYS 24 N 0.35 0.75 0.00 3.15 3.64 -0.93 -2.57 116.57 120.96 1a0r h LYS 24 Ca 0.20 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 1a0r h LYS 24 Cb 0.16 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1a0r h LYS 24 CO -0.18 0.64 -0.54 0.93 -2.27 0.00 0.00 179.45 178.02 1a0r h GLU 25 N 0.74 0.00 -0.04 1.90 5.08 0.46 -3.10 114.58 119.62 1a0r h GLU 25 Ca 0.18 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1a0r h GLU 25 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1a0r h GLU 25 CO -0.01 0.54 -0.37 0.28 -1.00 0.00 0.00 179.01 178.45 1a0r h VAL 26 N 0.00 1.28 -0.06 3.13 2.07 -0.43 -2.60 116.25 119.64 1a0r h VAL 26 Ca -0.01 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1a0r h VAL 26 Cb 1.14 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1a0r h VAL 26 CO 0.07 0.39 0.00 0.35 0.02 0.00 0.00 177.57 178.40 1a0r n THR 27 N -4.08 0.08 -2.11 2.57 -2.24 -1.17 -4.90 114.28 102.43 1a0r n THR 27 Ca -0.02 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1a0r n THR 27 Cb 0.42 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1a0r n THR 27 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a0r s LEU 28 N -1.30 4.37 -0.94 3.22 1.43 -0.98 -4.94 118.68 119.54 1a0r s LEU 28 Ca 0.18 2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 55.43 1a0r s LEU 28 Cb 0.09 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.75 1a0r s LEU 28 CO 0.13 -0.70 1.47 -0.70 0.23 0.00 0.00 176.35 176.79 1a0r s GLU 29 N 1.13 3.40 0.05 1.70 2.12 -1.26 -4.97 118.70 120.86 1a0r s GLU 29 Ca 0.66 -0.82 -0.26 0.00 0.36 0.00 0.00 54.97 54.90 1a0r s GLU 29 Cb -0.38 -5.07 -0.05 0.00 0.26 0.00 0.00 34.13 28.89 1a0r s GLU 29 CO 0.30 -2.31 0.82 1.03 -0.54 0.00 0.00 175.26 174.57 1a0r s ARG 30 N 5.36 4.54 0.29 4.30 0.52 -1.26 -5.06 118.95 127.64 1a0r s ARG 30 Ca 0.46 1.16 -0.08 0.00 -0.52 0.00 0.00 55.73 56.76 1a0r s ARG 30 Cb -0.03 -3.38 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 1a0r s ARG 30 CO -0.03 0.22 0.60 1.41 0.02 0.00 0.00 175.30 177.52 1a0r s MET 31 N 0.11 3.73 0.20 3.54 -2.45 -1.26 -5.04 119.30 118.14 1a0r s MET 31 Ca 0.41 0.21 -0.31 0.00 -1.25 0.00 0.00 55.69 54.76 1a0r s MET 31 Cb -0.21 -2.59 -0.10 0.00 1.25 0.00 0.00 34.83 33.19 1a0r s MET 31 CO 0.24 0.19 1.45 -1.17 1.05 0.00 0.00 175.02 176.79 1a0r s LEU 32 N -3.35 4.38 0.17 4.11 2.96 -1.26 -4.92 118.68 120.77 1a0r s LEU 32 Ca 0.47 2.58 -0.16 0.00 -0.22 0.00 0.00 54.13 56.80 1a0r s LEU 32 Cb -0.11 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.08 1a0r s LEU 32 CO 0.27 -0.70 1.69 0.58 -1.32 0.00 0.00 176.35 176.86 1a0r h VAL 33 N 3.77 0.66 -0.55 1.68 2.07 -1.99 -1.80 116.25 120.09 1a0r h VAL 33 Ca -0.44 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.15 1a0r h VAL 33 Cb 1.21 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 1a0r h VAL 33 CO 0.82 0.01 0.13 0.77 0.02 0.00 0.00 177.57 179.32 1a0r h SER 34 N 0.07 0.04 -0.09 0.57 4.64 -1.99 0.11 113.55 116.90 1a0r h SER 34 Ca 0.20 0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.64 1a0r h SER 34 Cb 0.29 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1a0r h SER 34 CO -0.36 0.04 -0.06 0.50 -0.87 0.00 0.00 176.83 176.08 1a0r h LYS 35 N 0.27 -0.06 -0.83 4.77 1.63 -1.76 -0.17 116.57 120.42 1a0r h LYS 35 Ca 0.28 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 1a0r h LYS 35 Cb 0.38 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.98 1a0r h LYS 35 CO -0.35 -0.04 0.54 0.00 -3.45 0.00 0.00 179.45 176.15 1a0r h GLU 38 N 0.94 -0.07 -0.63 0.00 5.08 -0.18 -0.01 114.58 119.71 1a0r h GLU 38 Ca 0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1a0r h GLU 38 Cb 0.21 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1a0r h GLU 38 CO -0.02 0.03 0.30 0.93 -1.00 0.00 0.00 179.01 179.25 1a0r h GLU 39 N -0.15 0.89 -0.05 2.33 5.08 -1.00 -0.12 114.58 121.56 1a0r h GLU 39 Ca -0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1a0r h GLU 39 Cb 0.13 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1a0r h GLU 39 CO 0.01 0.69 0.01 0.35 -1.00 0.00 0.00 179.01 179.07 1a0r h PHE 40 N 0.89 0.09 -0.14 4.33 3.57 -0.72 -1.38 116.94 123.58 1a0r h PHE 40 Ca 0.22 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1a0r h PHE 40 Cb 0.09 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1a0r h PHE 40 CO 0.01 0.30 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.29 1a0r h ARG 41 N -0.15 0.03 -0.15 1.11 2.43 -0.62 -1.72 114.38 115.31 1a0r h ARG 41 Ca 0.02 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1a0r h ARG 41 Cb 0.26 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1a0r h ARG 41 CO 0.00 0.02 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.01 1a0r h ASP 42 N 0.03 -0.12 -0.00 -3.80 3.32 -0.97 0.72 116.42 115.60 1a0r h ASP 42 Ca 0.07 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1a0r h ASP 42 Cb 0.09 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1a0r h ASP 42 CO -0.12 -0.04 -0.20 0.22 -1.72 0.00 0.00 179.24 177.37 1a0r h TYR 43 N 0.01 -0.53 0.53 4.55 5.03 -1.03 -0.95 116.97 124.58 1a0r h TYR 43 Ca 0.07 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 1a0r h TYR 43 Cb 0.10 0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.62 1a0r h TYR 43 CO -0.18 -0.29 -0.31 0.28 -1.32 0.00 0.00 178.16 176.34 1a0r h VAL 44 N -0.32 0.35 -0.96 1.81 2.07 -1.09 -2.92 116.25 115.19 1a0r h VAL 44 Ca 0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.76 1a0r h VAL 44 Cb 0.40 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 1a0r h VAL 44 CO -0.19 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.68 1a0r h GLU 45 N -0.79 0.66 -0.06 1.57 4.39 -0.71 0.66 114.58 120.29 1a0r h GLU 45 Ca -0.06 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1a0r h GLU 45 Cb 0.64 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1a0r h GLU 45 CO 0.07 0.44 -0.11 0.93 -1.16 0.00 0.00 179.01 179.17 1a0r h GLU 46 N 0.68 0.10 0.00 2.33 5.08 -0.98 -3.23 114.58 118.55 1a0r h GLU 46 Ca 0.52 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1a0r h GLU 46 Cb 0.90 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1a0r h GLU 46 CO -0.28 0.22 -0.38 0.54 -1.00 0.00 0.00 179.01 178.11 1a0r n ARG 47 N -4.35 4.41 -0.19 2.33 1.74 -0.04 -4.67 116.66 115.89 1a0r n ARG 47 Ca -0.02 -0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.14 1a0r n ARG 47 Cb 0.22 -0.86 0.36 0.00 -1.02 0.00 0.00 32.46 31.15 1a0r n ARG 47 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1a0r h SER 48 N 0.00 0.65 0.57 0.55 4.64 0.21 -1.76 113.55 118.41 1a0r h SER 48 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1a0r h SER 48 Cb 0.18 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1a0r h SER 48 CO 0.00 0.41 0.00 1.23 -0.87 0.00 0.00 176.83 177.60 1a0r h GLY 49 N 0.73 0.00 -0.20 -0.77 0.00 -1.83 -2.65 103.07 98.35 1a0r h GLY 49 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1a0r h GLY 49 CO -0.12 0.00 -0.55 1.18 0.00 0.00 0.00 176.54 177.06 1a0r n GLU 50 N -2.36 2.24 -1.76 4.80 4.71 -0.68 -4.88 120.64 122.69 1a0r n GLU 50 Ca 0.01 -0.23 -0.43 0.00 -0.01 0.00 0.00 57.16 56.51 1a0r n GLU 50 Cb 0.19 -1.18 -0.03 0.00 -1.01 0.00 0.00 31.44 29.41 1a0r n GLU 50 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1a0r s ASP 51 N -2.14 6.07 0.22 1.62 -1.08 -1.00 -4.89 116.67 115.46 1a0r s ASP 51 Ca 0.07 2.11 -0.08 0.00 -0.52 0.00 0.00 52.55 54.14 1a0r s ASP 51 Cb 0.11 -2.52 0.30 0.00 -1.46 0.00 0.00 42.92 39.35 1a0r s ASP 51 CO 0.51 -1.44 1.78 -0.65 0.52 0.00 0.00 175.17 175.89 1a0r h PRO 52 N 12.25 0.58 0.00 4.34 0.11 -1.89 -0.50 132.00 146.88 1a0r h PRO 52 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1a0r h PRO 52 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1a0r h PRO 52 CO 0.96 0.38 0.00 -0.07 -0.21 0.00 0.00 178.00 179.06 1a0r h LEU 53 N 0.59 0.00 0.00 2.35 3.38 -1.90 0.25 115.31 119.98 1a0r h LEU 53 Ca 0.33 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.97 1a0r h LEU 53 Cb 0.32 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1a0r h LEU 53 CO -0.25 0.00 -1.98 0.52 0.09 0.00 0.00 178.44 176.82 1a0r n VAL 54 N -2.51 1.52 0.09 1.22 0.31 -0.73 -4.59 118.33 113.64 1a0r n VAL 54 Ca 0.02 -0.21 -0.07 0.00 -0.01 0.00 0.00 64.34 64.07 1a0r n VAL 54 Cb 0.25 -2.01 -0.02 0.00 -0.91 0.00 0.00 33.84 31.15 1a0r n VAL 54 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1a0r h LYS 55 N -1.00 0.09 0.00 5.55 1.79 -1.19 -3.50 116.57 118.30 1a0r h LYS 55 Ca -0.49 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 1a0r h LYS 55 Cb 1.41 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.09 1a0r h LYS 55 CO -0.30 0.92 0.00 0.41 -1.08 0.00 0.00 179.45 179.40 1a0r n GLY 56 N 0.97 2.42 3.33 3.86 0.00 0.87 -5.01 105.19 111.63 1a0r n GLY 56 Ca -0.02 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1a0r n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a0r s ILE 57 N -2.60 3.40 0.27 -0.61 1.01 -1.25 -4.79 121.20 116.63 1a0r s ILE 57 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1a0r s ILE 57 Cb 0.00 -2.54 -0.11 0.00 0.01 0.00 0.00 42.46 39.82 1a0r s ILE 57 CO 0.00 0.43 1.54 -2.84 0.00 0.00 0.00 174.94 174.07 1a0r s PRO 58 N 1.32 4.18 0.55 2.79 0.02 -1.26 -4.78 135.00 137.82 1a0r s PRO 58 Ca 0.04 2.47 0.33 0.00 0.02 0.00 0.00 61.00 63.87 1a0r s PRO 58 Cb -0.14 -3.06 1.49 0.00 0.02 0.00 0.00 34.50 32.81 1a0r s PRO 58 CO -0.02 -0.56 1.83 1.49 -0.33 0.00 0.00 177.00 179.41 1a0r h GLU 59 N 4.99 0.00 -0.36 5.54 4.57 -1.98 -0.18 114.58 127.17 1a0r h GLU 59 Ca -0.46 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.74 1a0r h GLU 59 Cb 1.22 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 1a0r h GLU 59 CO 0.79 0.00 0.19 -0.44 -1.18 0.00 0.00 179.01 178.37 1a0r h ASP 60 N 0.00 0.29 -0.38 1.04 5.19 -2.03 -3.13 116.42 117.41 1a0r h ASP 60 Ca 0.46 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 1a0r h ASP 60 Cb 1.93 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.39 1a0r h ASP 60 CO -0.00 0.21 0.00 0.29 -3.12 0.00 0.00 179.24 176.62 1a0r n LYS 61 N -4.92 2.36 -2.36 3.56 5.02 -0.18 -4.94 118.16 116.69 1a0r n LYS 61 Ca 0.01 -2.13 -0.43 0.00 -2.02 0.00 0.00 58.31 53.74 1a0r n LYS 61 Cb 0.07 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1a0r n LYS 61 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1a0r s ASN 62 N -1.19 6.41 0.59 4.39 3.84 -0.58 -4.87 114.94 123.52 1a0r s ASN 62 Ca 0.33 0.92 0.29 0.00 0.21 0.00 0.00 52.86 54.61 1a0r s ASN 62 Cb 0.18 -2.54 1.50 0.00 -0.55 0.00 0.00 41.25 39.84 1a0r s ASN 62 CO 0.25 -1.35 1.92 -0.65 -2.79 0.00 0.00 177.10 174.49 1a0r h PRO 63 N 10.38 0.00 -3.21 0.43 0.11 -1.92 -3.09 132.00 134.69 1a0r h PRO 63 Ca -0.27 0.00 -0.80 0.00 0.11 0.00 0.00 66.00 65.03 1a0r h PRO 63 Cb 1.10 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.94 1a0r h PRO 63 CO 1.07 0.00 0.68 1.19 -0.21 0.00 0.00 178.00 180.73 1a0r n PHE 64 N -3.74 3.55 -0.66 0.65 3.72 -1.26 -5.03 117.46 114.69 1a0r n PHE 64 Ca 0.07 -3.14 -0.31 0.00 -0.05 0.00 0.00 57.45 54.02 1a0r n PHE 64 Cb 0.62 -1.47 0.18 0.00 -0.94 0.00 0.00 39.48 37.87 1a0r n PHE 64 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1a0r n LYS 65 N 1.97 -0.80 0.00 -1.08 3.00 -1.17 -5.13 118.16 114.94 1a0r n LYS 65 Ca 0.26 -0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1a0r n LYS 65 Cb 0.36 -2.23 0.00 0.00 0.00 0.00 0.00 35.03 33.16 1a0r n LYS 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79