#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkv s LYS 3 N 0.00 2.25 0.09 3.52 1.02 -1.26 -4.97 119.74 120.39 1tkv s LYS 3 Ca 0.00 -1.76 -0.20 0.00 0.02 0.00 0.00 55.97 54.04 1tkv s LYS 3 Cb 0.00 -2.03 -0.09 0.00 -0.52 0.00 0.00 37.83 35.19 1tkv s LYS 3 CO 0.00 -0.05 1.58 -0.91 -0.92 0.00 0.00 175.35 175.05 1tkv h ASN 4 N 1.47 0.32 -0.79 2.83 4.21 -2.00 -2.91 115.58 118.70 1tkv h ASN 4 Ca -0.43 -0.23 -0.01 0.00 1.21 0.00 0.00 56.30 56.85 1tkv h ASN 4 Cb 1.25 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 38.33 1tkv h ASN 4 CO 0.68 0.46 0.45 -0.29 -1.29 0.00 0.00 177.43 177.44 1tkv h ILE 5 N 0.17 1.23 -0.05 2.81 2.10 -1.96 -2.54 117.51 119.27 1tkv h ILE 5 Ca 0.07 -0.55 -0.10 0.00 1.08 0.00 0.00 64.86 65.36 1tkv h ILE 5 Cb 0.27 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.13 1tkv h ILE 5 CO 0.00 0.25 -0.44 0.44 -1.08 0.00 0.00 178.15 177.32 1tkv h ASP 6 N 1.10 0.11 -0.74 2.19 3.32 -1.96 -0.70 116.42 119.74 1tkv h ASP 6 Ca 0.28 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1tkv h ASP 6 Cb 0.00 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1tkv h ASP 6 CO -0.05 0.54 0.33 0.74 -1.72 0.00 0.00 179.24 179.08 1tkv h THR 7 N 0.09 1.24 -0.24 0.35 2.02 -1.26 -1.37 112.91 113.74 1tkv h THR 7 Ca 0.00 -0.73 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 1tkv h THR 7 Cb 0.82 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1tkv h THR 7 CO 0.06 0.30 -0.38 0.58 0.37 0.00 0.00 175.52 176.45 1tkv h VAL 8 N 1.08 1.30 -0.13 3.16 2.07 -1.02 -2.99 116.25 119.72 1tkv h VAL 8 Ca 0.26 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.17 1tkv h VAL 8 Cb 0.16 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1tkv h VAL 8 CO -0.03 0.48 -0.23 -0.09 0.02 0.00 0.00 177.57 177.73 1tkv h ARG 9 N 0.45 0.38 -0.55 1.57 1.12 -0.80 0.17 114.38 116.74 1tkv h ARG 9 Ca 0.04 -0.24 -0.06 0.00 -1.11 0.00 0.00 59.98 58.62 1tkv h ARG 9 Cb 0.87 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.83 1tkv h ARG 9 CO 0.07 0.83 0.11 1.05 -3.11 0.00 0.00 179.97 178.93 1tkv h GLU 10 N -0.03 0.85 0.00 0.20 4.11 -1.36 -3.05 114.58 115.30 1tkv h GLU 10 Ca 0.01 -0.19 -0.08 0.00 0.07 0.00 0.00 59.36 59.17 1tkv h GLU 10 Cb 0.81 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1tkv h GLU 10 CO 0.05 0.78 -0.38 0.82 0.07 0.00 0.00 179.01 180.35 1tkv h ILE 11 N 0.82 0.73 -0.09 -1.06 2.04 -1.36 -3.05 117.51 115.54 1tkv h ILE 11 Ca 0.17 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.28 1tkv h ILE 11 Cb 0.33 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1tkv h ILE 11 CO 0.00 0.37 0.01 0.40 0.00 0.00 0.00 178.15 178.94 1tkv h ILE 12 N 0.00 0.95 -0.18 -0.67 2.04 -0.55 0.76 117.51 119.86 1tkv h ILE 12 Ca -0.00 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1tkv h ILE 12 Cb 1.13 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1tkv h ILE 12 CO 0.05 0.01 -0.28 0.71 0.00 0.00 0.00 178.15 178.64 1tkv h THR 13 N 0.05 1.26 -0.20 -0.27 1.35 -1.57 0.18 112.91 113.71 1tkv h THR 13 Ca 0.04 -1.24 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 1tkv h THR 13 Cb 0.04 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1tkv h THR 13 CO -0.06 0.38 0.08 0.58 -0.25 0.00 0.00 175.52 176.25 1tkv h VAL 14 N 0.30 1.17 0.05 6.82 2.07 -1.40 -2.35 116.25 122.91 1tkv h VAL 14 Ca 0.04 -0.50 -0.23 0.00 0.82 0.00 0.00 66.70 66.83 1tkv h VAL 14 Cb 0.65 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1tkv h VAL 14 CO 0.05 0.16 -1.04 0.00 0.02 0.00 0.00 177.57 176.76 1tkv h ALA 15 N 0.91 0.32 0.00 1.67 0.00 -0.55 -2.87 119.26 118.75 1tkv h ALA 15 Ca 0.07 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1tkv h ALA 15 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1tkv h ALA 15 CO -0.00 1.01 -0.09 0.66 0.00 0.00 0.00 179.25 180.83 1tkv h SER 16 N 0.08 0.00 -0.18 0.00 4.64 -0.75 -0.44 113.55 116.89 1tkv h SER 16 Ca -0.07 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1tkv h SER 16 Cb 1.73 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.78 1tkv h SER 16 CO 0.16 0.09 -0.08 0.40 -0.87 0.00 0.00 176.83 176.52 1tkv h ILE 17 N 0.00 0.73 -0.79 0.95 5.03 -1.20 0.10 117.51 122.34 1tkv h ILE 17 Ca -0.00 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 1tkv h ILE 17 Cb 0.40 0.73 -0.04 0.00 -3.03 0.00 0.00 36.82 34.88 1tkv h ILE 17 CO 0.01 0.00 0.51 -0.07 -0.68 0.00 0.00 178.15 177.93 1tkv h LEU 18 N -0.06 0.87 -0.91 1.44 4.07 -0.97 -0.28 115.31 119.48 1tkv h LEU 18 Ca 0.10 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.96 1tkv h LEU 18 Cb 0.21 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1tkv h LEU 18 CO -0.22 0.62 -0.10 0.40 -1.08 0.00 0.00 178.44 178.06 1tkv h ILE 19 N 1.03 1.25 -0.68 1.22 2.04 -1.31 0.32 117.51 121.37 1tkv h ILE 19 Ca 0.30 -1.10 0.09 0.00 1.00 0.00 0.00 64.86 65.15 1tkv h ILE 19 Cb -0.07 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 1tkv h ILE 19 CO -0.08 0.37 0.32 0.07 0.00 0.00 0.00 178.15 178.83 1tkv h LYS 20 N 0.64 0.53 -0.32 2.37 2.10 0.08 -1.34 116.57 120.62 1tkv h LYS 20 Ca 0.11 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1tkv h LYS 20 Cb 0.54 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1tkv h LYS 20 CO 0.03 0.35 0.00 1.19 -2.00 0.00 0.00 179.45 179.02 1tkv n PHE 21 N -4.90 0.34 -3.85 0.07 3.72 -0.20 -4.92 117.46 107.71 1tkv n PHE 21 Ca 0.10 -0.15 -0.29 0.00 -0.05 0.00 0.00 57.45 57.06 1tkv n PHE 21 Cb 0.27 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 1tkv n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tkv n SER 22 N 0.14 -4.60 -2.83 4.37 2.88 -0.51 -4.93 113.62 108.14 1tkv n SER 22 Ca 0.07 -0.76 -0.33 0.00 -1.33 0.00 0.00 58.87 56.53 1tkv n SER 22 Cb 0.24 -4.04 0.01 0.00 -0.75 0.00 0.00 64.21 59.66 1tkv n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tkv n ARG 23 N -4.68 3.43 0.08 -1.46 5.12 0.10 -4.81 116.66 114.45 1tkv n ARG 23 Ca 0.00 -4.27 0.12 0.00 -1.93 0.00 0.00 57.85 51.77 1tkv n ARG 23 Cb 0.55 -2.28 0.46 0.00 -1.16 0.00 0.00 32.46 30.02 1tkv n ARG 23 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1tkv n GLU 24 N -0.41 0.16 0.29 5.56 -0.00 -1.26 -2.42 120.64 122.55 1tkv n GLU 24 Ca 0.43 0.25 0.14 0.00 -0.00 0.00 0.00 57.16 57.98 1tkv n GLU 24 Cb 0.43 -1.73 0.86 0.00 -0.00 0.00 0.00 31.44 31.00 1tkv n GLU 24 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1tkv h ASP 25 N 0.00 0.00 0.02 -1.84 3.32 -1.96 -0.26 116.42 115.69 1tkv h ASP 25 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tkv h ASP 25 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1tkv h ASP 25 CO 0.00 0.03 -0.01 0.40 -1.72 0.00 0.00 179.24 177.95 1tkv h ILE 26 N 0.00 1.39 -0.60 0.35 2.04 -1.86 -3.36 117.51 115.47 1tkv h ILE 26 Ca -0.00 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.56 1tkv h ILE 26 Cb 0.09 2.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1tkv h ILE 26 CO 0.00 0.32 0.18 0.58 0.00 0.00 0.00 178.15 179.23 1tkv h VAL 27 N -0.57 1.23 -0.25 1.67 2.07 -1.50 -2.63 116.25 116.28 1tkv h VAL 27 Ca -0.00 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1tkv h VAL 27 Cb 0.54 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1tkv h VAL 27 CO 0.00 0.31 0.38 -0.08 0.02 0.00 0.00 177.57 178.20 1tkv h GLU 28 N 0.88 0.00 -4.72 1.57 4.81 -1.21 -3.38 114.58 112.53 1tkv h GLU 28 Ca 0.20 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.74 1tkv h GLU 28 Cb 0.27 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.34 1tkv h GLU 28 CO -0.01 0.00 -0.65 1.21 -0.73 0.00 0.00 179.01 178.83 1tkv s ASN 29 N -5.03 5.10 0.12 1.04 3.84 -0.99 -4.83 114.94 114.18 1tkv s ASN 29 Ca -0.04 -1.24 -0.22 0.00 0.21 0.00 0.00 52.86 51.57 1tkv s ASN 29 Cb 0.13 -1.79 -0.05 0.00 -0.55 0.00 0.00 41.25 38.99 1tkv s ASN 29 CO 0.45 -0.30 1.23 -1.14 -2.79 0.00 0.00 177.10 174.55 1tkv n ARG 30 N 4.71 -0.32 -0.12 0.43 0.63 -1.26 -1.46 116.66 119.28 1tkv n ARG 30 Ca -0.12 1.21 -0.09 0.00 -0.92 0.00 0.00 57.85 57.92 1tkv n ARG 30 Cb 0.44 -1.78 -0.01 0.00 0.45 0.00 0.00 32.46 31.56 1tkv n ARG 30 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tkv h ALA 31 N 0.24 0.46 -0.15 5.13 0.00 -1.94 -1.91 119.26 121.09 1tkv h ALA 31 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1tkv h ALA 31 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1tkv h ALA 31 CO -0.68 0.02 0.04 -0.91 0.00 0.00 0.00 179.25 177.73 1tkv h ASN 32 N 0.44 0.18 0.15 0.00 -0.26 -1.79 0.10 115.58 114.40 1tkv h ASN 32 Ca 0.12 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1tkv h ASN 32 Cb 0.12 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1tkv h ASN 32 CO -0.02 0.19 -0.07 0.15 -1.06 0.00 0.00 177.43 176.62 1tkv h PHE 33 N 0.21 -0.19 -0.89 1.19 3.04 -0.92 -1.58 116.94 117.79 1tkv h PHE 33 Ca 0.05 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.10 1tkv h PHE 33 Cb 0.08 0.06 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 1tkv h PHE 33 CO 0.00 0.11 0.58 0.82 -2.02 0.00 0.00 178.31 177.79 1tkv h ILE 34 N -0.48 0.96 -0.01 1.41 2.04 -1.08 0.63 117.51 120.97 1tkv h ILE 34 Ca -0.02 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1tkv h ILE 34 Cb 0.37 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1tkv h ILE 34 CO 0.03 0.16 -0.06 0.00 0.00 0.00 0.00 178.15 178.29 1tkv h ALA 35 N 1.56 -0.05 -0.29 1.87 0.00 -0.71 -1.53 119.26 120.12 1tkv h ALA 35 Ca 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1tkv h ALA 35 Cb 0.44 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1tkv h ALA 35 CO -0.18 -0.55 0.15 0.35 0.00 0.00 0.00 179.25 179.02 1tkv h PHE 36 N -0.09 0.38 -0.29 0.00 3.04 -0.57 -1.84 116.94 117.57 1tkv h PHE 36 Ca 0.03 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 1tkv h PHE 36 Cb 0.13 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1tkv h PHE 36 CO -0.13 0.28 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.35 1tkv h LEU 37 N 0.40 0.42 -0.85 0.59 3.38 -0.19 -1.08 115.31 117.98 1tkv h LEU 37 Ca 0.10 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1tkv h LEU 37 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1tkv h LEU 37 CO -0.02 0.50 -0.46 0.78 0.09 0.00 0.00 178.44 179.33 1tkv h ASN 38 N 0.43 0.00 0.45 -0.43 2.35 -0.72 -2.57 115.58 115.09 1tkv h ASN 38 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1tkv h ASN 38 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1tkv h ASN 38 CO 0.01 0.46 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.71 1tkv h GLU 39 N 0.00 -0.58 0.00 0.81 4.39 -0.54 -3.35 114.58 115.31 1tkv h GLU 39 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1tkv h GLU 39 Cb 0.98 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1tkv h GLU 39 CO 0.06 -0.30 -0.31 -0.84 -1.16 0.00 0.00 179.01 176.46 1tkv h ILE 40 N -1.06 0.00 -0.06 3.13 -2.65 -1.33 -3.48 117.51 112.06 1tkv h ILE 40 Ca -0.06 -0.91 0.00 0.00 1.03 0.00 0.00 64.86 64.92 1tkv h ILE 40 Cb 0.55 1.75 0.00 0.00 -2.05 0.00 0.00 36.82 37.07 1tkv h ILE 40 CO 0.10 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.89 1tkv n GLY 41 N 1.16 1.45 3.56 0.16 0.00 -0.99 -5.02 105.19 105.50 1tkv n GLY 41 Ca 0.03 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1tkv n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tkv s VAL 42 N -2.06 3.42 -0.20 1.61 1.01 -1.05 -4.95 120.40 118.18 1tkv s VAL 42 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1tkv s VAL 42 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1tkv s VAL 42 CO 0.00 -0.97 -0.11 0.42 0.00 0.00 0.00 175.10 174.44 1tkv s THR 43 N 8.48 2.81 0.00 3.92 -4.23 -1.26 -4.37 115.64 120.99 1tkv s THR 43 Ca 0.65 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1tkv s THR 43 Cb -0.13 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1tkv s THR 43 CO 0.21 0.48 0.39 1.57 -0.54 0.00 0.00 174.62 176.74 1tkv n HIS 44 N 4.65 0.00 -1.09 3.99 -0.00 -1.09 -3.82 115.22 117.86 1tkv n HIS 44 Ca -0.19 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.73 1tkv n HIS 44 Cb 0.51 -0.08 0.07 0.00 -0.12 0.00 0.00 29.99 30.37 1tkv n HIS 44 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1tkv n GLU 45 N -0.73 2.25 -1.15 1.57 1.02 -1.26 -3.52 120.64 118.82 1tkv n GLU 45 Ca 0.00 -2.47 -0.05 0.00 -0.02 0.00 0.00 57.16 54.62 1tkv n GLU 45 Cb 0.00 -1.97 -0.02 0.00 -0.02 0.00 0.00 31.44 29.43 1tkv n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tkv n GLY 46 N -0.37 0.76 3.45 0.62 0.00 -1.25 -5.04 105.19 103.36 1tkv n GLY 46 Ca 0.48 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1tkv n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tkv s ARG 47 N -2.05 1.61 0.21 1.61 1.81 -1.26 -5.04 118.95 115.85 1tkv s ARG 47 Ca 0.00 -1.61 -0.31 0.00 -1.72 0.00 0.00 55.73 52.09 1tkv s ARG 47 Cb 0.00 -1.83 -0.11 0.00 -0.45 0.00 0.00 34.95 32.56 1tkv s ARG 47 CO 0.00 0.37 1.61 0.15 -0.68 0.00 0.00 175.30 176.75 1tkv s LYS 48 N -3.03 4.17 -0.22 3.54 -0.14 -1.26 -2.67 119.74 120.14 1tkv s LYS 48 Ca 0.25 2.48 -0.29 0.00 -1.36 0.00 0.00 55.97 57.04 1tkv s LYS 48 Cb -0.07 -3.10 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 1tkv s LYS 48 CO 0.12 -0.64 1.02 -1.17 -0.76 0.00 0.00 175.35 173.93 1tkv s LEU 49 N 0.64 4.12 0.41 3.17 0.20 -1.26 -4.93 118.68 121.02 1tkv s LEU 49 Ca 0.69 1.38 0.01 0.00 0.69 0.00 0.00 54.13 56.90 1tkv s LEU 49 Cb -0.46 -3.52 -0.01 0.00 -0.43 0.00 0.00 46.19 41.77 1tkv s LEU 49 CO 0.36 -0.64 0.61 0.20 -0.29 0.00 0.00 176.35 176.60 1tkv s ASN 50 N 1.20 5.95 0.22 3.68 0.01 -1.26 -4.78 114.94 119.95 1tkv s ASN 50 Ca 0.44 0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.85 1tkv s ASN 50 Cb -0.15 -1.59 0.19 0.00 0.41 0.00 0.00 41.25 40.11 1tkv s ASN 50 CO 0.07 -0.58 1.53 1.56 -1.51 0.00 0.00 177.10 178.18 1tkv h GLN 51 N 0.55 0.38 0.03 -0.60 4.20 -1.97 0.24 115.11 117.95 1tkv h GLN 51 Ca -0.47 -0.25 -0.22 0.00 0.06 0.00 0.00 58.65 57.76 1tkv h GLN 51 Cb 1.25 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 1tkv h GLN 51 CO 0.57 0.86 -0.99 -2.95 -0.67 0.00 0.00 178.83 175.65 1tkv h ASN 52 N 0.29 0.35 0.63 1.46 -1.07 -1.99 -2.82 115.58 112.43 1tkv h ASN 52 Ca -0.00 -0.31 -0.16 0.00 0.07 0.00 0.00 56.30 55.90 1tkv h ASN 52 Cb 1.10 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 37.22 1tkv h ASN 52 CO 0.10 1.15 -0.73 0.28 0.07 0.00 0.00 177.43 178.30 1tkv h SER 53 N 0.12 0.09 -0.19 6.14 0.02 -1.95 -2.45 113.55 115.34 1tkv h SER 53 Ca -0.07 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1tkv h SER 53 Cb 1.66 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.15 1tkv h SER 53 CO 0.16 0.78 0.06 0.15 -1.14 0.00 0.00 176.83 176.84 1tkv h PHE 54 N 0.05 0.10 -0.22 3.45 3.57 -0.54 -2.25 116.94 121.10 1tkv h PHE 54 Ca -0.01 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1tkv h PHE 54 Cb 1.28 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1tkv h PHE 54 CO 0.01 0.05 -0.21 -0.09 -2.23 0.00 0.00 178.31 175.84 1tkv h ARG 55 N 0.14 0.39 -0.04 1.11 2.43 -1.40 -2.24 114.38 114.78 1tkv h ARG 55 Ca 0.08 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1tkv h ARG 55 Cb 0.06 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1tkv h ARG 55 CO -0.09 0.59 0.00 1.57 -1.51 0.00 0.00 179.97 180.53 1tkv h LYS 56 N 0.36 0.07 -0.66 0.20 2.10 -1.41 -1.97 116.57 115.27 1tkv h LYS 56 Ca 0.06 -0.02 0.11 0.00 -2.00 0.00 0.00 60.65 58.79 1tkv h LYS 56 Cb 0.57 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.82 1tkv h LYS 56 CO 0.04 0.34 0.26 -0.84 -2.00 0.00 0.00 179.45 177.24 1tkv h ILE 57 N -0.20 0.75 0.08 0.07 3.07 -1.08 0.14 117.51 120.34 1tkv h ILE 57 Ca 0.01 -0.15 -0.21 0.00 1.55 0.00 0.00 64.86 66.06 1tkv h ILE 57 Cb 0.30 0.27 0.02 0.00 -0.27 0.00 0.00 36.82 37.14 1tkv h ILE 57 CO 0.00 0.08 -0.88 -0.37 -1.05 0.00 0.00 178.15 175.93 1tkv h VAL 58 N 0.44 1.40 0.10 0.16 -1.51 -1.48 -3.40 116.25 111.96 1tkv h VAL 58 Ca 0.34 -2.33 -0.29 0.00 -1.23 0.00 0.00 66.70 63.19 1tkv h VAL 58 Cb 0.44 2.79 -0.01 0.00 -2.13 0.00 0.00 31.29 32.37 1tkv h VAL 58 CO -0.33 0.68 -1.52 0.28 -1.23 0.00 0.00 177.57 175.46 1tkv h SER 59 N -0.04 0.32 0.00 4.19 0.02 -1.18 -3.39 113.55 113.49 1tkv h SER 59 Ca -0.13 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 1tkv h SER 59 Cb 1.61 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1tkv h SER 59 CO 0.17 1.65 0.00 -1.84 -1.14 0.00 0.00 176.83 175.67 1tkv n GLU 60 N -3.91 0.85 -1.68 3.45 0.28 0.48 -4.86 120.64 115.26 1tkv n GLU 60 Ca -0.28 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.32 1tkv n GLU 60 Cb 0.90 -1.11 0.02 0.00 1.43 0.00 0.00 31.44 32.68 1tkv n GLU 60 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1tkv n LEU 61 N -0.61 4.08 -4.93 -1.84 4.77 -1.26 -5.01 117.00 112.20 1tkv n LEU 61 Ca 0.04 1.02 -0.25 0.00 -0.03 0.00 0.00 56.01 56.79 1tkv n LEU 61 Cb 0.02 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 39.70 1tkv n LEU 61 CO 0.03 -0.94 0.59 0.42 -1.33 0.00 0.00 177.39 176.16 1tkv s THR 62 N -1.28 2.31 0.27 -5.08 -4.23 -1.26 -4.92 115.64 101.45 1tkv s THR 62 Ca 0.66 -0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1tkv s THR 62 Cb -0.48 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.61 1tkv s THR 62 CO 0.54 0.00 1.94 1.56 -0.54 0.00 0.00 174.62 178.12 1tkv h GLN 63 N -0.54 1.20 -0.86 3.99 4.20 -1.99 -2.08 115.11 119.03 1tkv h GLN 63 Ca -0.44 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 1tkv h GLN 63 Cb 1.31 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.79 1tkv h GLN 63 CO 0.59 0.81 0.50 0.93 -0.67 0.00 0.00 178.83 181.00 1tkv h GLU 64 N 1.23 1.18 -0.48 1.46 3.07 -1.98 0.14 114.58 119.21 1tkv h GLU 64 Ca 0.33 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1tkv h GLU 64 Cb -0.11 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.53 1tkv h GLU 64 CO -0.07 0.84 0.23 -0.44 -1.40 0.00 0.00 179.01 178.18 1tkv h ASP 65 N 1.20 0.63 0.01 1.42 3.32 -1.83 -0.80 116.42 120.37 1tkv h ASP 65 Ca 0.31 -0.13 -0.27 0.00 0.02 0.00 0.00 57.03 56.96 1tkv h ASP 65 Cb -0.02 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.39 1tkv h ASP 65 CO -0.06 0.58 -1.06 0.11 -1.72 0.00 0.00 179.24 177.10 1tkv h LYS 66 N 0.64 0.70 -0.86 3.56 1.57 -1.05 -1.36 116.57 119.76 1tkv h LYS 66 Ca 0.17 -0.76 0.12 0.00 -1.87 0.00 0.00 60.65 58.31 1tkv h LYS 66 Cb 0.12 0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 1tkv h LYS 66 CO -0.02 1.33 0.48 0.87 -0.57 0.00 0.00 179.45 181.54 1tkv h LYS 67 N 0.39 0.72 -0.69 3.15 1.79 -0.77 0.37 116.57 121.53 1tkv h LYS 67 Ca -0.13 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.22 1tkv h LYS 67 Cb 1.71 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 32.17 1tkv h LYS 67 CO 0.21 0.47 0.14 1.15 -1.08 0.00 0.00 179.45 180.34 1tkv h THR 68 N 0.74 1.26 -0.09 -0.16 2.02 -0.52 0.16 112.91 116.32 1tkv h THR 68 Ca 0.44 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1tkv h THR 68 Cb 0.52 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1tkv h THR 68 CO -0.30 0.38 0.01 -0.07 0.37 0.00 0.00 175.52 175.91 1tkv h LEU 69 N 1.05 0.14 -0.63 2.58 3.38 -0.94 -2.54 115.31 118.34 1tkv h LEU 69 Ca 0.21 -0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.05 1tkv h LEU 69 Cb 0.41 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 1tkv h LEU 69 CO 0.01 0.37 0.00 0.40 0.09 0.00 0.00 178.44 179.31 1tkv h ILE 70 N -0.10 0.48 -0.22 1.22 2.04 -0.63 0.19 117.51 120.49 1tkv h ILE 70 Ca 0.03 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 1tkv h ILE 70 Cb 0.29 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1tkv h ILE 70 CO 0.00 0.02 -0.30 0.44 0.00 0.00 0.00 178.15 178.31 1tkv h ASP 71 N 0.12 0.44 0.00 1.72 3.32 -0.65 -3.37 116.42 118.01 1tkv h ASP 71 Ca 0.33 -0.16 -0.39 0.00 0.02 0.00 0.00 57.03 56.83 1tkv h ASP 71 Cb 0.53 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 1tkv h ASP 71 CO -0.54 0.73 -2.44 -0.62 -1.72 0.00 0.00 179.24 174.65 1tkv n GLU 72 N -4.09 0.62 -2.41 3.56 1.02 -0.96 -4.70 120.64 113.67 1tkv n GLU 72 Ca -0.01 0.16 -0.39 0.00 -0.02 0.00 0.00 57.16 56.90 1tkv n GLU 72 Cb 0.43 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1tkv n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tkv n PHE 73 N -3.33 2.96 0.00 -0.32 3.01 0.62 -4.90 117.46 115.50 1tkv n PHE 73 Ca -0.45 -2.61 0.00 0.00 1.01 0.00 0.00 57.45 55.40 1tkv n PHE 73 Cb 0.97 -1.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 1tkv n PHE 73 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1tkv n ASN 74 N -0.25 0.00 0.12 4.37 3.02 -1.26 -1.84 115.26 119.42 1tkv n ASN 74 Ca 0.48 0.87 -0.06 0.00 -0.03 0.00 0.00 54.58 55.84 1tkv n ASN 74 Cb 0.28 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1tkv h GLU 75 N 0.00 -0.35 -0.29 3.52 5.08 -1.94 -3.10 114.58 117.51 1tkv h GLU 75 Ca 0.00 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1tkv h GLU 75 Cb 0.00 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 1tkv h GLU 75 CO 0.00 -0.23 -0.37 0.78 -1.00 0.00 0.00 179.01 178.19 1tkv h GLY 76 N -0.84 -0.46 2.00 -3.84 0.00 -2.00 -3.05 103.07 94.88 1tkv h GLY 76 Ca -0.04 0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1tkv h GLY 76 CO 0.06 -0.21 -0.17 -2.75 0.00 0.00 0.00 176.54 173.48 1tkv h PHE 77 N -0.35 0.00 0.36 5.60 3.04 -1.53 0.10 116.94 124.16 1tkv h PHE 77 Ca 0.13 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 1tkv h PHE 77 Cb 0.57 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 1tkv h PHE 77 CO -0.52 0.17 -0.41 1.49 -2.02 0.00 0.00 178.31 177.02 1tkv h GLU 78 N 0.00 -0.78 0.12 1.11 4.81 -1.45 -1.27 114.58 117.12 1tkv h GLU 78 Ca -0.00 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1tkv h GLU 78 Cb 0.87 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1tkv h GLU 78 CO 0.02 -0.52 -0.06 0.78 -0.73 0.00 0.00 179.01 178.51 1tkv h GLY 79 N -0.80 -0.16 2.00 1.92 0.00 -1.46 -3.18 103.07 101.39 1tkv h GLY 79 Ca -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1tkv h GLY 79 CO -0.10 -0.06 -0.08 -0.39 0.00 0.00 0.00 176.54 175.91 1tkv h VAL 80 N -0.17 0.57 0.00 4.60 -1.51 -1.07 -0.54 116.25 118.12 1tkv h VAL 80 Ca -0.02 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 1tkv h VAL 80 Cb 0.12 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1tkv h VAL 80 CO 0.03 0.08 -0.07 0.22 -1.23 0.00 0.00 177.57 176.60 1tkv h TYR 81 N 0.00 0.00 -0.41 5.19 3.20 -1.33 0.10 116.97 123.72 1tkv h TYR 81 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1tkv h TYR 81 Cb 0.22 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1tkv h TYR 81 CO 0.00 0.07 0.26 0.00 -1.64 0.00 0.00 178.16 176.85 1tkv h ARG 82 N 0.00 0.56 0.55 1.82 2.47 -1.06 -2.69 114.38 116.02 1tkv h ARG 82 Ca -0.00 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 1tkv h ARG 82 Cb 0.79 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1tkv h ARG 82 CO 0.01 0.39 -0.26 1.88 0.56 0.00 0.00 179.97 182.55 1tkv h TYR 83 N 0.55 -0.68 -0.82 3.04 -1.99 -1.39 -2.44 116.97 113.24 1tkv h TYR 83 Ca 0.15 -0.02 0.19 0.00 2.00 0.00 0.00 58.73 61.06 1tkv h TYR 83 Cb -0.03 0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.87 1tkv h TYR 83 CO -0.04 -0.42 0.55 -0.07 -0.00 0.00 0.00 178.16 178.18 1tkv h LEU 84 N -1.02 0.29 -0.02 3.88 3.38 -0.94 -1.96 115.31 118.92 1tkv h LEU 84 Ca -0.08 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1tkv h LEU 84 Cb 0.56 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1tkv h LEU 84 CO 0.12 0.13 -0.53 -0.08 0.09 0.00 0.00 178.44 178.17 1tkv h GLU 85 N 0.29 0.40 -0.36 1.13 4.81 -1.45 -3.35 114.58 116.06 1tkv h GLU 85 Ca 0.41 -0.40 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1tkv h GLU 85 Cb 1.16 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1tkv h GLU 85 CO -0.11 1.06 -0.39 0.00 -0.73 0.00 0.00 179.01 178.84 1tkv h MET 86 N -0.11 0.86 0.00 1.92 -0.00 -0.86 -1.99 114.93 114.76 1tkv h MET 86 Ca -0.06 -0.45 0.00 0.00 -0.00 0.00 0.00 59.70 59.19 1tkv h MET 86 Cb 1.23 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 1tkv h MET 86 CO 0.11 1.09 0.00 0.66 -0.00 0.00 0.00 176.91 178.77 1tkv n TYR 87 N -4.05 0.00 -2.58 -0.10 4.01 -1.04 -2.92 117.16 110.48 1tkv n TYR 87 Ca -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1tkv n TYR 87 Cb 0.54 -0.28 0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1tkv n TYR 87 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1tkv n THR 88 N -1.28 0.42 -2.82 -0.72 5.66 -1.13 -4.37 114.28 110.04 1tkv n THR 88 Ca 0.11 -1.54 -0.43 0.00 -3.05 0.00 0.00 64.05 59.14 1tkv n THR 88 Cb 0.17 1.06 -0.04 0.00 -1.55 0.00 0.00 70.33 69.97 1tkv n THR 88 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1tkv s ASN 89 N -2.46 6.27 0.00 1.09 0.01 -0.76 -4.92 114.94 114.16 1tkv s ASN 89 Ca 0.27 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1tkv s ASN 89 Cb 0.34 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.55 1tkv s ASN 89 CO -0.11 -1.36 0.47 0.29 -1.51 0.00 0.00 177.10 174.88