#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkv n LYS 3 N 0.00 0.61 -0.08 3.52 5.02 -1.26 -5.01 118.16 120.97 1tkv n LYS 3 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1tkv n LYS 3 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1tkv n LYS 3 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1tkv h ASN 4 N 0.00 0.37 -0.70 4.39 4.21 -1.97 -3.38 115.58 118.50 1tkv h ASN 4 Ca 0.00 -0.22 0.13 0.00 1.21 0.00 0.00 56.30 57.42 1tkv h ASN 4 Cb 0.00 -0.10 -0.09 0.00 -1.12 0.00 0.00 38.32 37.01 1tkv h ASN 4 CO 0.00 0.50 0.22 -0.29 -1.29 0.00 0.00 177.43 176.57 1tkv h ILE 5 N 0.23 0.63 -0.40 2.81 2.10 -1.95 -1.93 117.51 119.01 1tkv h ILE 5 Ca 0.08 -0.12 -0.07 0.00 1.08 0.00 0.00 64.86 65.83 1tkv h ILE 5 Cb 0.27 0.25 -0.02 0.00 -1.09 0.00 0.00 36.82 36.22 1tkv h ILE 5 CO -0.00 0.07 -0.03 0.44 -1.08 0.00 0.00 178.15 177.55 1tkv h ASP 6 N 0.36 0.62 -0.53 2.19 3.32 -1.96 -1.22 116.42 119.20 1tkv h ASP 6 Ca 0.38 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 1tkv h ASP 6 Cb 0.58 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1tkv h ASP 6 CO -0.42 0.71 -0.10 0.74 -1.72 0.00 0.00 179.24 178.46 1tkv h THR 7 N 0.61 1.27 -0.35 0.35 2.02 -1.58 -2.25 112.91 112.98 1tkv h THR 7 Ca 0.12 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1tkv h THR 7 Cb 0.42 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1tkv h THR 7 CO 0.02 0.44 0.18 0.58 0.37 0.00 0.00 175.52 177.11 1tkv h VAL 8 N 0.91 1.15 -0.65 3.16 2.07 -0.95 -2.08 116.25 119.86 1tkv h VAL 8 Ca 0.14 -0.41 0.13 0.00 0.82 0.00 0.00 66.70 67.39 1tkv h VAL 8 Cb 0.66 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.12 1tkv h VAL 8 CO 0.05 0.16 0.09 -0.09 0.02 0.00 0.00 177.57 177.79 1tkv h ARG 9 N 0.43 0.20 -0.52 1.57 2.43 -1.16 0.35 114.38 117.68 1tkv h ARG 9 Ca 0.12 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1tkv h ARG 9 Cb 0.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1tkv h ARG 9 CO -0.02 0.13 0.03 0.93 -1.51 0.00 0.00 179.97 179.53 1tkv h GLU 10 N 0.20 0.85 0.00 0.20 5.08 -1.04 -3.08 114.58 116.79 1tkv h GLU 10 Ca 0.35 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1tkv h GLU 10 Cb 0.57 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1tkv h GLU 10 CO -0.49 0.83 -0.60 0.82 -1.00 0.00 0.00 179.01 178.58 1tkv h ILE 11 N 0.80 0.25 -0.46 3.13 2.04 -0.67 -3.16 117.51 119.43 1tkv h ILE 11 Ca 0.16 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.69 1tkv h ILE 11 Cb 0.43 1.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 1tkv h ILE 11 CO 0.02 0.14 0.16 0.40 0.00 0.00 0.00 178.15 178.87 1tkv h ILE 12 N 0.00 0.85 0.35 -0.67 2.04 -0.25 0.48 117.51 120.32 1tkv h ILE 12 Ca -0.02 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1tkv h ILE 12 Cb 1.16 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1tkv h ILE 12 CO 0.02 0.06 -0.17 0.71 0.00 0.00 0.00 178.15 178.77 1tkv h THR 13 N 0.33 0.61 -0.91 -0.27 1.35 -1.55 -2.14 112.91 110.33 1tkv h THR 13 Ca 0.22 -0.55 0.22 0.00 -0.55 0.00 0.00 66.41 65.75 1tkv h THR 13 Cb 0.22 0.87 -0.17 0.00 -1.73 0.00 0.00 68.15 67.34 1tkv h THR 13 CO -0.22 0.10 -0.07 0.58 -0.25 0.00 0.00 175.52 175.65 1tkv h VAL 14 N -0.80 0.12 0.00 6.82 2.07 -1.55 -0.12 116.25 122.78 1tkv h VAL 14 Ca -0.05 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1tkv h VAL 14 Cb 0.52 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1tkv h VAL 14 CO 0.08 0.01 -0.44 0.00 0.02 0.00 0.00 177.57 177.24 1tkv h ALA 15 N 1.90 0.84 0.00 1.67 0.00 -0.84 -2.77 119.26 120.05 1tkv h ALA 15 Ca 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tkv h ALA 15 Cb 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1tkv h ALA 15 CO -0.87 0.54 -0.11 -1.13 0.00 0.00 0.00 179.25 177.68 1tkv n SER 16 N -3.38 0.28 -0.02 0.00 3.41 -0.54 -1.93 113.62 111.45 1tkv n SER 16 Ca 0.01 0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 58.87 1tkv n SER 16 Cb 0.61 -0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 1tkv n SER 16 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1tkv h ILE 17 N 0.00 1.33 -0.80 -1.33 1.08 -0.79 -1.19 117.51 115.80 1tkv h ILE 17 Ca 0.00 -1.00 0.05 0.00 -0.39 0.00 0.00 64.86 63.52 1tkv h ILE 17 Cb 0.56 1.93 -0.05 0.00 -3.07 0.00 0.00 36.82 36.19 1tkv h ILE 17 CO 0.00 0.27 0.50 -0.07 -0.69 0.00 0.00 178.15 178.15 1tkv h LEU 18 N -0.33 0.80 -0.99 1.44 3.38 -1.34 -1.13 115.31 117.14 1tkv h LEU 18 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1tkv h LEU 18 Cb 0.44 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1tkv h LEU 18 CO 0.00 0.53 -0.37 0.40 0.09 0.00 0.00 178.44 179.09 1tkv h ILE 19 N 0.94 0.90 -0.87 1.22 2.04 -1.38 0.23 117.51 120.59 1tkv h ILE 19 Ca 0.34 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.75 1tkv h ILE 19 Cb 0.10 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1tkv h ILE 19 CO -0.15 0.36 0.56 0.50 0.00 0.00 0.00 178.15 179.43 1tkv h LYS 20 N 0.00 1.05 0.00 2.37 3.64 -0.04 -2.75 116.57 120.84 1tkv h LYS 20 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1tkv h LYS 20 Cb 0.87 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1tkv h LYS 20 CO 0.05 0.70 -0.54 1.19 -2.27 0.00 0.00 179.45 178.57 1tkv n PHE 21 N -4.54 0.04 -2.78 1.91 3.72 -0.61 -4.95 117.46 110.25 1tkv n PHE 21 Ca 0.11 0.01 -0.09 0.00 -0.05 0.00 0.00 57.45 57.43 1tkv n PHE 21 Cb 0.09 -0.27 0.04 0.00 -0.94 0.00 0.00 39.48 38.40 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 -1.55 -2.74 -2.80 4.37 2.88 -0.01 -4.97 113.62 108.80 1tkv n SER 22 Ca 0.05 -0.27 -0.35 0.00 -1.33 0.00 0.00 58.87 56.98 1tkv n SER 22 Cb 0.34 -2.59 0.02 0.00 -0.75 0.00 0.00 64.21 61.23 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 -2.47 3.21 0.17 -1.46 5.12 0.61 -4.81 116.66 117.02 1tkv n ARG 23 Ca -0.08 -4.03 0.13 0.00 -1.93 0.00 0.00 57.85 51.94 1tkv n ARG 23 Cb 0.56 -2.27 0.47 0.00 -1.16 0.00 0.00 32.46 30.05 1tkv n ARG 23 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1tkv h GLU 24 N 2.92 0.00 -0.79 5.56 -0.00 -1.92 -3.15 114.58 117.20 1tkv h GLU 24 Ca 0.45 0.00 0.16 0.00 -0.00 0.00 0.00 59.36 59.97 1tkv h GLU 24 Cb 0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.00 1tkv h GLU 24 CO 1.17 0.00 -0.18 -0.25 -0.00 0.00 0.00 179.01 179.76 1tkv n ASP 25 N -2.53 -0.26 -0.07 3.06 9.92 -1.26 -0.56 116.55 124.85 1tkv n ASP 25 Ca 0.03 1.36 -0.13 0.00 -0.53 0.00 0.00 54.79 55.52 1tkv n ASP 25 Cb 0.34 -0.42 -0.06 0.00 -0.64 0.00 0.00 41.12 40.34 1tkv n ASP 25 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1tkv h ILE 26 N 0.00 1.32 -0.96 0.53 2.04 -1.90 -3.12 117.51 115.41 1tkv h ILE 26 Ca 0.39 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1tkv h ILE 26 Cb 0.62 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1tkv h ILE 26 CO -0.81 0.38 0.62 0.58 0.00 0.00 0.00 178.15 178.93 1tkv h VAL 27 N 0.16 1.25 0.00 1.67 2.07 -1.48 -3.11 116.25 116.81 1tkv h VAL 27 Ca 0.04 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1tkv h VAL 27 Cb 0.66 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1tkv h VAL 27 CO 0.04 0.25 0.00 -0.08 0.02 0.00 0.00 177.57 177.80 1tkv h GLU 28 N 1.31 0.00 -4.71 1.57 4.81 -0.76 -3.42 114.58 113.38 1tkv h GLU 28 Ca 0.35 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 59.02 1tkv h GLU 28 Cb -0.13 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 28.91 1tkv h GLU 28 CO -0.07 0.00 -0.83 1.21 -0.73 0.00 0.00 179.01 178.59 1tkv s ASN 29 N -4.81 2.23 0.12 1.04 3.84 -1.18 -4.79 114.94 111.39 1tkv s ASN 29 Ca -0.02 -0.38 -0.30 0.00 0.21 0.00 0.00 52.86 52.37 1tkv s ASN 29 Cb 0.10 -1.01 -0.11 0.00 -0.55 0.00 0.00 41.25 39.68 1tkv s ASN 29 CO 0.38 0.04 1.50 -0.09 -2.79 0.00 0.00 177.10 176.13 1tkv h ARG 30 N 7.17 -0.39 0.00 0.43 2.43 -1.79 -1.80 114.38 120.42 1tkv h ARG 30 Ca -0.29 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.83 1tkv h ARG 30 Cb 1.19 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1tkv h ARG 30 CO 0.48 -0.26 -0.36 0.00 -1.51 0.00 0.00 179.97 178.31 1tkv h ALA 31 N -0.22 0.91 0.00 2.80 0.00 -1.93 -1.81 119.26 119.01 1tkv h ALA 31 Ca 0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1tkv h ALA 31 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1tkv h ALA 31 CO -0.51 0.45 -0.56 -0.91 0.00 0.00 0.00 179.25 177.72 1tkv h ASN 32 N 0.00 0.00 0.01 0.00 2.35 -1.79 -1.93 115.58 114.21 1tkv h ASN 32 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1tkv h ASN 32 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1tkv h ASN 32 CO 0.05 0.56 -0.00 0.15 -1.65 0.00 0.00 177.43 176.54 1tkv h PHE 33 N 0.00 -0.01 -0.76 1.19 3.57 -0.93 -2.97 116.94 117.03 1tkv h PHE 33 Ca -0.01 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1tkv h PHE 33 Cb 1.26 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 1tkv h PHE 33 CO 0.00 0.65 0.50 0.82 -2.23 0.00 0.00 178.31 178.05 1tkv h ILE 34 N -0.67 0.92 -0.38 1.41 2.04 -1.35 0.16 117.51 119.64 1tkv h ILE 34 Ca -0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1tkv h ILE 34 Cb 0.66 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1tkv h ILE 34 CO 0.00 0.12 0.24 0.00 0.00 0.00 0.00 178.15 178.51 1tkv h ALA 35 N 1.62 0.48 -0.25 1.87 0.00 -1.40 -0.67 119.26 120.91 1tkv h ALA 35 Ca 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1tkv h ALA 35 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1tkv h ALA 35 CO -0.13 -0.05 0.08 0.35 0.00 0.00 0.00 179.25 179.50 1tkv h PHE 36 N 0.51 0.34 -0.21 0.00 3.57 -1.15 -1.31 116.94 118.69 1tkv h PHE 36 Ca 0.14 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1tkv h PHE 36 Cb -0.04 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1tkv h PHE 36 CO -0.05 0.29 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.85 1tkv h LEU 37 N 0.35 0.50 -0.86 0.59 3.38 0.15 -0.69 115.31 118.73 1tkv h LEU 37 Ca 0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1tkv h LEU 37 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1tkv h LEU 37 CO -0.01 0.85 -0.19 0.78 0.09 0.00 0.00 178.44 179.97 1tkv h ASN 38 N 0.40 0.00 0.18 -0.43 2.35 -0.68 -1.29 115.58 116.10 1tkv h ASN 38 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1tkv h ASN 38 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1tkv h ASN 38 CO 0.07 0.19 -0.08 -0.08 -1.65 0.00 0.00 177.43 175.87 1tkv h GLU 39 N 0.00 -0.23 0.00 0.81 4.81 -0.67 -3.37 114.58 115.93 1tkv h GLU 39 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1tkv h GLU 39 Cb 0.83 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1tkv h GLU 39 CO 0.02 -0.15 -0.16 -0.84 -0.73 0.00 0.00 179.01 177.15 1tkv h ILE 40 N -0.70 0.00 0.00 2.32 -2.65 -1.28 -3.47 117.51 111.73 1tkv h ILE 40 Ca -0.02 -0.80 0.00 0.00 1.03 0.00 0.00 64.86 65.06 1tkv h ILE 40 Cb 0.18 1.71 0.00 0.00 -2.05 0.00 0.00 36.82 36.66 1tkv h ILE 40 CO 0.04 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.83 1tkv n GLY 41 N 1.19 1.39 3.67 0.16 0.00 -0.52 -5.04 105.19 106.04 1tkv n GLY 41 Ca 0.04 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 3.95 0.17 1.61 1.01 -1.04 -5.00 120.40 119.11 1tkv s VAL 42 Ca 0.00 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.23 1tkv s VAL 42 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1tkv s VAL 42 CO 0.00 -0.09 0.08 0.42 0.00 0.00 0.00 175.10 175.51 1tkv s THR 43 N 3.49 4.14 0.00 3.92 -4.23 -1.26 -4.47 115.64 117.23 1tkv s THR 43 Ca 0.63 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1tkv s THR 43 Cb -0.27 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1tkv s THR 43 CO 0.22 -0.13 0.00 1.57 -0.54 0.00 0.00 174.62 175.74 1tkv n HIS 44 N -0.30 0.00 -1.11 3.99 -0.00 -1.10 -4.67 115.22 112.03 1tkv n HIS 44 Ca -0.09 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.87 1tkv n HIS 44 Cb 0.55 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.45 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 -0.01 2.09 -0.50 1.57 1.02 -1.26 -4.63 120.64 118.91 1tkv n GLU 45 Ca 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1tkv n GLU 45 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 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 0.24 1.40 3.57 0.62 0.00 -1.26 -5.02 105.19 104.74 1tkv n GLY 46 Ca 0.40 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.22 1.93 0.46 1.61 0.52 -1.26 -5.00 118.95 116.99 1tkv s ARG 47 Ca 0.00 -1.79 -0.23 0.00 -0.52 0.00 0.00 55.73 53.18 1tkv s ARG 47 Cb 0.00 -1.84 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 1tkv s ARG 47 CO 0.00 0.19 1.17 0.15 0.02 0.00 0.00 175.30 176.83 1tkv s LYS 48 N -3.64 3.76 -0.06 3.54 -0.14 -1.26 -2.70 119.74 119.24 1tkv s LYS 48 Ca 0.33 1.80 -0.27 0.00 -1.36 0.00 0.00 55.97 56.47 1tkv s LYS 48 Cb -0.01 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1tkv s LYS 48 CO 0.18 -0.56 0.85 -0.51 -0.76 0.00 0.00 175.35 174.55 1tkv s LEU 49 N -3.00 4.31 0.31 3.17 1.43 -1.26 -4.83 118.68 118.81 1tkv s LEU 49 Ca 0.63 1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 55.09 1tkv s LEU 49 Cb -0.29 -3.33 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1tkv s LEU 49 CO 0.36 -0.24 0.58 0.20 0.23 0.00 0.00 176.35 177.47 1tkv s ASN 50 N 0.96 6.42 0.25 2.29 0.01 -1.26 -4.82 114.94 118.79 1tkv s ASN 50 Ca 0.44 0.72 0.04 0.00 -0.71 0.00 0.00 52.86 53.35 1tkv s ASN 50 Cb -0.19 -2.15 0.31 0.00 0.41 0.00 0.00 41.25 39.63 1tkv s ASN 50 CO 0.21 -0.24 1.61 1.56 -1.51 0.00 0.00 177.10 178.73 1tkv h GLN 51 N 1.46 0.28 0.01 -0.60 4.20 -1.97 -0.00 115.11 118.49 1tkv h GLN 51 Ca -0.48 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 57.98 1tkv h GLN 51 Cb 1.19 0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.00 1tkv h GLN 51 CO 0.65 0.74 -0.36 -2.95 -0.67 0.00 0.00 178.83 176.24 1tkv h ASN 52 N 0.22 0.29 0.84 1.46 7.08 -2.00 -3.09 115.58 120.38 1tkv h ASN 52 Ca 0.01 -0.80 0.00 0.00 -3.08 0.00 0.00 56.30 52.42 1tkv h ASN 52 Cb 0.99 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 37.14 1tkv h ASN 52 CO 0.08 1.06 0.00 0.28 -2.08 0.00 0.00 177.43 176.77 1tkv h SER 53 N -0.44 0.00 -0.25 6.14 0.02 -1.95 -2.24 113.55 114.82 1tkv h SER 53 Ca -0.05 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1tkv h SER 53 Cb 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1tkv h SER 53 CO 0.07 0.00 -0.16 0.15 -1.14 0.00 0.00 176.83 175.75 1tkv h PHE 54 N 0.00 0.64 0.00 3.45 3.57 -1.03 -3.05 116.94 120.52 1tkv h PHE 54 Ca 0.00 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1tkv h PHE 54 Cb 0.42 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 1tkv h PHE 54 CO 0.00 0.83 -0.13 -0.09 -2.23 0.00 0.00 178.31 176.69 1tkv h ARG 55 N 0.26 0.00 -0.14 1.11 2.43 -1.32 -1.81 114.38 114.91 1tkv h ARG 55 Ca 0.05 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1tkv h ARG 55 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1tkv h ARG 55 CO 0.04 0.13 -0.30 1.57 -1.51 0.00 0.00 179.97 179.90 1tkv h LYS 56 N 0.00 0.46 -0.51 0.20 2.10 -1.57 -2.76 116.57 114.49 1tkv h LYS 56 Ca -0.00 -0.30 0.03 0.00 -2.00 0.00 0.00 60.65 58.38 1tkv h LYS 56 Cb 0.40 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.73 1tkv h LYS 56 CO 0.02 0.91 0.28 -0.84 -2.00 0.00 0.00 179.45 177.82 1tkv h ILE 57 N 0.07 1.02 0.21 0.07 3.07 -1.23 -2.16 117.51 118.56 1tkv h ILE 57 Ca 0.00 -0.19 -0.32 0.00 1.55 0.00 0.00 64.86 65.90 1tkv h ILE 57 Cb 0.90 0.40 0.03 0.00 -0.27 0.00 0.00 36.82 37.88 1tkv h ILE 57 CO 0.07 0.10 -1.40 -0.37 -1.05 0.00 0.00 178.15 175.50 1tkv h VAL 58 N 0.56 1.35 0.09 0.16 -1.51 -1.59 -3.41 116.25 111.90 1tkv h VAL 58 Ca 0.21 -2.79 -0.37 0.00 -1.23 0.00 0.00 66.70 62.52 1tkv h VAL 58 Cb 0.06 3.00 -0.03 0.00 -2.13 0.00 0.00 31.29 32.19 1tkv h VAL 58 CO -0.12 0.83 -2.06 -0.24 -1.23 0.00 0.00 177.57 174.75 1tkv n SER 59 N -3.67 2.08 0.00 4.19 2.88 -1.04 -4.38 113.62 113.68 1tkv n SER 59 Ca -0.14 0.15 0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1tkv n SER 59 Cb 1.08 -0.78 0.61 0.00 -0.75 0.00 0.00 64.21 64.36 1tkv n SER 59 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1tkv n GLU 60 N -3.50 0.81 -1.53 -1.46 0.28 -0.82 -4.89 120.64 109.53 1tkv n GLU 60 Ca -0.35 0.00 -0.48 0.00 -0.16 0.00 0.00 57.16 56.17 1tkv n GLU 60 Cb 1.02 -1.40 -0.03 0.00 1.43 0.00 0.00 31.44 32.45 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 -0.90 0.82 -4.83 -1.84 4.77 -1.26 -4.99 117.00 108.77 1tkv n LEU 61 Ca 0.15 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 57.00 1tkv n LEU 61 Cb 0.07 -1.16 0.13 0.00 -2.33 0.00 0.00 43.42 40.14 1tkv n LEU 61 CO 0.12 -1.80 0.76 0.42 -1.33 0.00 0.00 177.39 175.55 1tkv s THR 62 N -0.70 1.98 0.15 -5.08 -4.23 -1.26 -4.88 115.64 101.61 1tkv s THR 62 Ca 0.67 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.31 1tkv s THR 62 Cb -0.84 -2.85 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1tkv s THR 62 CO 0.56 0.00 1.57 1.56 -0.54 0.00 0.00 174.62 177.77 1tkv h GLN 63 N -1.45 0.00 -0.43 3.99 4.20 -1.99 -2.26 115.11 117.18 1tkv h GLN 63 Ca -0.48 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.12 1tkv h GLN 63 Cb 1.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1tkv h GLN 63 CO 0.58 0.59 -0.18 0.93 -0.67 0.00 0.00 178.83 180.08 1tkv h GLU 64 N 0.00 0.88 -0.01 1.46 5.08 -1.98 -1.81 114.58 118.22 1tkv h GLU 64 Ca -0.01 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 1tkv h GLU 64 Cb 1.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1tkv h GLU 64 CO 0.08 1.02 -0.45 -0.44 -1.00 0.00 0.00 179.01 178.22 1tkv h ASP 65 N 0.71 0.01 -0.08 1.42 5.19 -1.87 0.21 116.42 122.02 1tkv h ASP 65 Ca 0.10 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1tkv h ASP 65 Cb 0.74 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 1tkv h ASP 65 CO 0.06 0.47 -0.02 0.11 -3.12 0.00 0.00 179.24 176.74 1tkv h LYS 66 N 0.01 0.16 -0.06 3.56 1.57 -1.46 -2.05 116.57 118.29 1tkv h LYS 66 Ca -0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1tkv h LYS 66 Cb 0.81 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1tkv h LYS 66 CO 0.06 0.48 0.06 0.87 -0.57 0.00 0.00 179.45 180.34 1tkv h LYS 67 N -0.18 0.00 -0.18 3.15 1.79 -0.92 0.82 116.57 121.05 1tkv h LYS 67 Ca 0.02 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.32 1tkv h LYS 67 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1tkv h LYS 67 CO 0.01 0.00 -0.54 1.15 -1.08 0.00 0.00 179.45 178.99 1tkv h THR 68 N 0.00 1.32 -0.10 -0.16 2.02 -0.34 -2.08 112.91 113.56 1tkv h THR 68 Ca 0.03 -1.77 -0.12 0.00 0.77 0.00 0.00 66.41 65.32 1tkv h THR 68 Cb 0.14 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1tkv h THR 68 CO -0.00 0.55 -0.48 -0.07 0.37 0.00 0.00 175.52 175.90 1tkv h LEU 69 N 0.38 0.27 -0.59 2.58 3.38 -0.63 -3.00 115.31 117.70 1tkv h LEU 69 Ca -0.02 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1tkv h LEU 69 Cb 1.16 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1tkv h LEU 69 CO 0.12 0.71 0.35 0.40 0.09 0.00 0.00 178.44 180.10 1tkv h ILE 70 N 0.20 1.04 -0.25 1.22 2.04 -0.80 -0.33 117.51 120.64 1tkv h ILE 70 Ca 0.01 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1tkv h ILE 70 Cb 0.92 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1tkv h ILE 70 CO 0.07 0.12 0.05 0.44 0.00 0.00 0.00 178.15 178.84 1tkv h ASP 71 N 0.68 0.02 0.23 1.72 3.32 -1.29 -3.28 116.42 117.83 1tkv h ASP 71 Ca 0.24 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.14 1tkv h ASP 71 Cb 0.05 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1tkv h ASP 71 CO -0.12 0.05 -0.74 -0.33 -1.72 0.00 0.00 179.24 176.38 1tkv h GLU 72 N 0.15 0.43 -2.61 3.56 4.39 -1.35 -3.40 114.58 115.76 1tkv h GLU 72 Ca 0.11 -0.36 -0.60 0.00 0.34 0.00 0.00 59.36 58.85 1tkv h GLU 72 Cb 0.11 0.08 -0.41 0.00 -0.10 0.00 0.00 28.75 28.43 1tkv h GLU 72 CO -0.15 1.00 -0.75 1.19 -1.16 0.00 0.00 179.01 179.14 1tkv n PHE 73 N -3.84 1.71 0.00 4.33 3.72 -0.16 -5.00 117.46 118.22 1tkv n PHE 73 Ca -0.05 -3.91 0.00 0.00 -0.05 0.00 0.00 57.45 53.44 1tkv n PHE 73 Cb 0.72 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1tkv n PHE 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1tkv n ASN 74 N 1.97 0.00 -0.07 4.37 3.02 -1.25 -1.16 115.26 122.13 1tkv n ASN 74 Ca 0.25 0.97 -0.15 0.00 -0.03 0.00 0.00 54.58 55.62 1tkv n ASN 74 Cb 0.42 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.72 0.69 3.52 5.08 -1.94 -3.09 114.58 119.56 1tkv h GLU 75 Ca 0.00 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1tkv h GLU 75 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1tkv h GLU 75 CO 0.00 1.08 -0.39 0.78 -1.00 0.00 0.00 179.01 179.48 1tkv h GLY 76 N 0.44 -1.14 2.00 -3.84 0.00 -1.97 -3.10 103.07 95.46 1tkv h GLY 76 Ca 0.01 0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.69 1tkv h GLY 76 CO 0.10 -0.39 -0.48 -2.75 0.00 0.00 0.00 176.54 173.02 1tkv h PHE 77 N -1.00 0.00 0.31 5.60 3.04 -1.28 -1.33 116.94 122.28 1tkv h PHE 77 Ca -0.09 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1tkv h PHE 77 Cb 0.79 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 1tkv h PHE 77 CO -0.03 0.48 -0.45 0.93 -2.02 0.00 0.00 178.31 177.22 1tkv h GLU 78 N 0.00 -0.79 0.26 1.11 5.08 -1.61 -0.74 114.58 117.89 1tkv h GLU 78 Ca -0.00 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1tkv h GLU 78 Cb 0.98 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1tkv h GLU 78 CO 0.06 -0.53 -0.12 0.78 -1.00 0.00 0.00 179.01 178.20 1tkv h GLY 79 N -0.82 -0.36 2.00 -3.84 0.00 -1.44 -3.21 103.07 95.39 1tkv h GLY 79 Ca -0.02 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1tkv h GLY 79 CO -0.15 -0.13 -0.20 -0.39 0.00 0.00 0.00 176.54 175.67 1tkv h VAL 80 N -0.41 0.96 0.00 4.60 -1.51 -1.36 -2.54 116.25 115.99 1tkv h VAL 80 Ca -0.04 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1tkv h VAL 80 Cb 0.27 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1tkv h VAL 80 CO 0.06 0.20 0.00 0.22 -1.23 0.00 0.00 177.57 176.82 1tkv h TYR 81 N 0.00 0.00 -0.35 5.19 3.20 -1.23 0.30 116.97 124.08 1tkv h TYR 81 Ca -0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1tkv h TYR 81 Cb 0.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1tkv h TYR 81 CO 0.00 0.00 -0.12 0.00 -1.64 0.00 0.00 178.16 176.40 1tkv h ARG 82 N 0.00 0.70 0.73 1.82 2.47 -1.45 -2.12 114.38 116.53 1tkv h ARG 82 Ca 0.00 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.40 1tkv h ARG 82 Cb 0.58 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1tkv h ARG 82 CO 0.00 0.88 -0.44 1.88 0.56 0.00 0.00 179.97 182.85 1tkv h TYR 83 N 0.49 -1.18 -0.70 3.04 -1.99 -1.42 -1.89 116.97 113.32 1tkv h TYR 83 Ca 0.08 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.86 1tkv h TYR 83 Cb 0.65 0.42 -0.06 0.00 2.00 0.00 0.00 36.73 39.74 1tkv h TYR 83 CO 0.05 -0.67 0.40 -0.07 -0.00 0.00 0.00 178.16 177.87 1tkv h LEU 84 N -1.10 0.59 -0.40 3.88 3.38 -0.51 -2.48 115.31 118.67 1tkv h LEU 84 Ca -0.09 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1tkv h LEU 84 Cb 0.89 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1tkv h LEU 84 CO 0.10 0.38 0.04 -0.08 0.09 0.00 0.00 178.44 178.97 1tkv h GLU 85 N 0.73 0.69 0.01 1.13 4.22 -1.33 -3.32 114.58 116.71 1tkv h GLU 85 Ca 0.32 -0.20 -0.21 0.00 0.08 0.00 0.00 59.36 59.34 1tkv h GLU 85 Cb 0.20 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1tkv h GLU 85 CO -0.19 0.75 -1.01 0.00 -2.18 0.00 0.00 179.01 176.38 1tkv h MET 86 N 0.53 0.02 0.00 1.92 -0.00 -1.14 -3.04 114.93 113.22 1tkv h MET 86 Ca 0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.78 1tkv h MET 86 Cb 0.41 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 1tkv h MET 86 CO 0.01 1.01 0.00 0.66 -0.00 0.00 0.00 176.91 178.59 1tkv n TYR 87 N -3.37 0.00 -3.07 -0.10 4.01 -0.95 -3.08 117.16 110.61 1tkv n TYR 87 Ca -0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 1tkv n TYR 87 Cb 0.94 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.94 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 -0.71 0.86 -4.09 -0.72 5.66 -1.15 -3.08 114.28 111.05 1tkv n THR 88 Ca 0.08 -4.77 -0.35 0.00 -3.05 0.00 0.00 64.05 55.97 1tkv n THR 88 Cb 0.04 -0.53 -0.12 0.00 -1.55 0.00 0.00 70.33 68.16 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 -2.79 4.92 0.00 1.09 0.02 -1.18 -5.01 114.94 112.00 1tkv s ASN 89 Ca 0.42 -0.17 0.25 0.00 -1.02 0.00 0.00 52.86 52.35 1tkv s ASN 89 Cb 0.34 -1.84 0.46 0.00 0.02 0.00 0.00 41.25 40.23 1tkv s ASN 89 CO -0.09 0.08 1.41 0.29 0.02 0.00 0.00 177.10 178.82