#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 1.91 -0.02 1.20 1.02 -1.26 -4.97 119.74 117.62 1tkv s LYS 3 Ca 0.00 -2.06 -0.23 0.00 0.02 0.00 0.00 55.97 53.70 1tkv s LYS 3 Cb 0.00 -1.61 -0.20 0.00 -0.52 0.00 0.00 37.83 35.49 1tkv s LYS 3 CO 0.00 -0.01 1.16 -0.91 -0.92 0.00 0.00 175.35 174.67 1tkv h ASN 4 N 1.85 0.25 -0.97 2.83 2.35 -1.98 -3.19 115.58 116.72 1tkv h ASN 4 Ca -0.43 -0.64 0.03 0.00 -0.55 0.00 0.00 56.30 54.71 1tkv h ASN 4 Cb 1.24 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 39.48 1tkv h ASN 4 CO 0.78 0.85 0.64 -0.29 -1.65 0.00 0.00 177.43 177.76 1tkv h ILE 5 N -0.33 1.18 -0.44 2.81 2.10 -1.97 0.49 117.51 121.34 1tkv h ILE 5 Ca -0.01 -0.42 0.04 0.00 1.08 0.00 0.00 64.86 65.54 1tkv h ILE 5 Cb 0.84 -0.17 -0.04 0.00 -1.09 0.00 0.00 36.82 36.36 1tkv h ILE 5 CO 0.04 0.23 0.22 0.44 -1.08 0.00 0.00 178.15 178.00 1tkv h ASP 6 N 1.24 0.32 -0.40 2.19 5.19 -1.98 0.44 116.42 123.43 1tkv h ASP 6 Ca 0.38 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.72 1tkv h ASP 6 Cb -0.02 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1tkv h ASP 6 CO -0.11 0.23 -0.14 0.74 -3.12 0.00 0.00 179.24 176.84 1tkv h THR 7 N 0.44 1.28 -0.75 0.35 2.02 -1.34 -2.19 112.91 112.72 1tkv h THR 7 Ca 0.19 -1.25 0.17 0.00 0.77 0.00 0.00 66.41 66.30 1tkv h THR 7 Cb 0.10 1.25 -0.13 0.00 -1.74 0.00 0.00 68.15 67.63 1tkv h THR 7 CO -0.13 0.42 0.03 0.58 0.37 0.00 0.00 175.52 176.78 1tkv h VAL 8 N 0.60 0.36 -0.53 3.16 2.07 -0.73 -1.44 116.25 119.74 1tkv h VAL 8 Ca 0.10 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.46 1tkv h VAL 8 Cb 0.67 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1tkv h VAL 8 CO 0.05 0.02 -0.13 -0.09 0.02 0.00 0.00 177.57 177.44 1tkv h ARG 9 N 0.12 1.02 0.00 1.57 2.43 0.37 0.15 114.38 120.03 1tkv h ARG 9 Ca 0.41 -0.39 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1tkv h ARG 9 Cb 0.73 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1tkv h ARG 9 CO -0.65 1.08 -0.46 1.05 -1.51 0.00 0.00 179.97 179.48 1tkv h GLU 10 N 0.89 0.00 -0.05 0.20 4.11 -1.30 -2.28 114.58 116.15 1tkv h GLU 10 Ca 0.13 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.39 1tkv h GLU 10 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1tkv h GLU 10 CO 0.05 0.46 -0.72 0.82 0.07 0.00 0.00 179.01 179.69 1tkv h ILE 11 N 0.00 1.42 -0.59 -1.06 2.04 -1.12 -2.60 117.51 115.59 1tkv h ILE 11 Ca -0.00 -2.22 0.05 0.00 1.00 0.00 0.00 64.86 63.68 1tkv h ILE 11 Cb 1.09 2.18 -0.05 0.00 -0.74 0.00 0.00 36.82 39.30 1tkv h ILE 11 CO 0.06 0.66 0.33 0.40 0.00 0.00 0.00 178.15 179.60 1tkv h ILE 12 N 0.18 0.99 -0.37 -0.67 2.04 -0.65 0.32 117.51 119.35 1tkv h ILE 12 Ca -0.02 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1tkv h ILE 12 Cb 1.29 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1tkv h ILE 12 CO 0.11 0.11 0.04 0.71 0.00 0.00 0.00 178.15 179.13 1tkv h THR 13 N 0.63 1.25 -0.84 -0.27 1.35 -1.44 -1.40 112.91 112.18 1tkv h THR 13 Ca 0.26 -0.91 0.08 0.00 -0.55 0.00 0.00 66.41 65.30 1tkv h THR 13 Cb 0.13 1.11 -0.07 0.00 -1.73 0.00 0.00 68.15 67.59 1tkv h THR 13 CO -0.15 0.30 0.50 0.58 -0.25 0.00 0.00 175.52 176.50 1tkv h VAL 14 N 0.46 0.96 0.00 6.82 2.07 -1.25 -2.45 116.25 122.86 1tkv h VAL 14 Ca 0.11 -0.29 -0.20 0.00 0.82 0.00 0.00 66.70 67.13 1tkv h VAL 14 Cb 0.40 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1tkv h VAL 14 CO 0.01 0.16 -0.99 0.00 0.02 0.00 0.00 177.57 176.77 1tkv h ALA 15 N 1.44 0.39 0.00 1.67 0.00 -0.07 -1.95 119.26 120.74 1tkv h ALA 15 Ca 0.39 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1tkv h ALA 15 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1tkv h ALA 15 CO -0.22 1.21 0.00 -1.13 0.00 0.00 0.00 179.25 179.11 1tkv n SER 16 N -3.33 0.59 0.11 0.00 3.41 -0.55 -1.72 113.62 112.13 1tkv n SER 16 Ca -0.00 0.62 -0.13 0.00 -0.26 0.00 0.00 58.87 59.09 1tkv n SER 16 Cb 0.93 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.86 -0.19 -1.33 1.08 -0.85 -0.11 117.51 116.97 1tkv h ILE 17 Ca 0.00 -0.06 -0.07 0.00 -0.39 0.00 0.00 64.86 64.34 1tkv h ILE 17 Cb 0.42 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 1tkv h ILE 17 CO 0.00 0.01 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.21 1tkv h LEU 18 N -0.24 0.32 -0.69 1.44 4.07 -1.24 -1.17 115.31 117.81 1tkv h LEU 18 Ca -0.02 -0.09 -0.14 0.00 0.08 0.00 0.00 57.88 57.71 1tkv h LEU 18 Cb 0.18 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1tkv h LEU 18 CO 0.03 0.54 -0.61 0.40 -1.08 0.00 0.00 178.44 177.73 1tkv h ILE 19 N 0.31 1.40 -0.70 1.22 2.04 -1.36 0.56 117.51 120.98 1tkv h ILE 19 Ca 0.05 -2.01 0.04 0.00 1.00 0.00 0.00 64.86 63.95 1tkv h ILE 19 Cb 0.52 2.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 1tkv h ILE 19 CO 0.03 0.59 0.42 0.07 0.00 0.00 0.00 178.15 179.26 1tkv h LYS 20 N 0.12 0.77 -0.11 2.37 2.10 0.15 -2.83 116.57 119.15 1tkv h LYS 20 Ca -0.01 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1tkv h LYS 20 Cb 1.10 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1tkv h LYS 20 CO 0.09 0.51 0.00 1.19 -2.00 0.00 0.00 179.45 179.24 1tkv n PHE 21 N -4.71 0.12 -3.66 0.07 3.72 -0.66 -4.97 117.46 107.37 1tkv n PHE 21 Ca 0.08 -0.06 -0.22 0.00 -0.05 0.00 0.00 57.45 57.20 1tkv n PHE 21 Cb 0.13 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.48 -1.80 -2.65 4.37 2.88 -0.32 -4.94 113.62 111.64 1tkv n SER 22 Ca 0.17 -0.82 -0.30 0.00 -1.33 0.00 0.00 58.87 56.59 1tkv n SER 22 Cb 0.40 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.75 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 -4.20 3.34 0.24 -1.46 5.12 0.18 -4.80 116.66 115.08 1tkv n ARG 23 Ca -0.27 -4.36 0.16 0.00 -1.93 0.00 0.00 57.85 51.46 1tkv n ARG 23 Cb 0.67 -2.26 0.72 0.00 -1.16 0.00 0.00 32.46 30.43 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 2.75 0.00 -1.15 5.56 -0.00 -1.92 -2.73 114.58 117.10 1tkv h GLU 24 Ca 0.34 0.00 0.33 0.00 -0.00 0.00 0.00 59.36 60.03 1tkv h GLU 24 Cb 0.68 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.37 1tkv h GLU 24 CO 0.97 0.00 0.80 -0.44 -0.00 0.00 0.00 179.01 180.35 1tkv h ASP 25 N 0.00 0.13 -0.05 3.06 3.32 -1.94 -0.87 116.42 120.07 1tkv h ASP 25 Ca 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1tkv h ASP 25 Cb 0.36 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1tkv h ASP 25 CO 0.00 0.02 -0.09 0.40 -1.72 0.00 0.00 179.24 177.84 1tkv h ILE 26 N 0.11 1.42 -0.40 0.35 2.04 -1.86 -3.34 117.51 115.83 1tkv h ILE 26 Ca 0.58 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 1tkv h ILE 26 Cb 2.06 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 40.35 1tkv h ILE 26 CO -0.10 0.38 0.04 0.58 0.00 0.00 0.00 178.15 179.05 1tkv h VAL 27 N -0.35 1.25 -0.47 1.67 2.07 -1.59 -3.12 116.25 115.71 1tkv h VAL 27 Ca 0.00 -0.92 0.14 0.00 0.82 0.00 0.00 66.70 66.74 1tkv h VAL 27 Cb 0.66 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1tkv h VAL 27 CO 0.02 0.31 0.60 -0.08 0.02 0.00 0.00 177.57 178.44 1tkv h GLU 28 N 0.52 0.00 -5.20 1.57 4.22 -1.29 -3.38 114.58 111.02 1tkv h GLU 28 Ca 0.12 0.00 -0.65 0.00 0.08 0.00 0.00 59.36 58.91 1tkv h GLU 28 Cb 0.41 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.40 1tkv h GLU 28 CO 0.01 0.00 -0.72 1.21 -2.18 0.00 0.00 179.01 177.33 1tkv s ASN 29 N -4.75 4.33 0.22 1.04 3.84 -1.23 -4.76 114.94 113.63 1tkv s ASN 29 Ca -0.04 -0.30 -0.17 0.00 0.21 0.00 0.00 52.86 52.57 1tkv s ASN 29 Cb 0.14 -1.70 0.24 0.00 -0.55 0.00 0.00 41.25 39.38 1tkv s ASN 29 CO 0.48 0.10 1.57 -0.09 -2.79 0.00 0.00 177.10 176.37 1tkv h ARG 30 N 7.21 -0.04 0.01 0.43 2.43 -1.75 -2.28 114.38 120.39 1tkv h ARG 30 Ca -0.33 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.62 1tkv h ARG 30 Cb 1.19 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 1tkv h ARG 30 CO 0.59 -0.03 -1.14 0.00 -1.51 0.00 0.00 179.97 177.88 1tkv h ALA 31 N 1.38 0.40 -0.23 2.80 0.00 -1.93 -2.81 119.26 118.88 1tkv h ALA 31 Ca 0.33 -1.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 1tkv h ALA 31 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1tkv h ALA 31 CO -0.89 1.28 -0.36 -0.91 0.00 0.00 0.00 179.25 178.37 1tkv h ASN 32 N 0.01 0.52 0.48 0.00 -0.26 -1.79 -1.86 115.58 112.68 1tkv h ASN 32 Ca -0.07 -0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.44 1tkv h ASN 32 Cb 1.83 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.94 1tkv h ASN 32 CO 0.13 0.84 -0.30 0.15 -1.06 0.00 0.00 177.43 177.19 1tkv h PHE 33 N 0.42 -0.78 -0.48 1.19 3.57 -1.35 -1.99 116.94 117.53 1tkv h PHE 33 Ca 0.04 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.68 1tkv h PHE 33 Cb 0.83 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1tkv h PHE 33 CO 0.03 -0.45 0.36 0.82 -2.23 0.00 0.00 178.31 176.83 1tkv h ILE 34 N -0.74 0.71 -0.00 1.41 2.04 -1.45 0.38 117.51 119.86 1tkv h ILE 34 Ca -0.06 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 1tkv h ILE 34 Cb 0.61 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1tkv h ILE 34 CO 0.06 0.00 -0.74 0.00 0.00 0.00 0.00 178.15 177.46 1tkv h ALA 35 N 1.74 0.76 -0.25 1.87 0.00 -1.21 -0.81 119.26 121.35 1tkv h ALA 35 Ca 0.23 -0.66 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1tkv h ALA 35 Cb 0.94 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1tkv h ALA 35 CO -0.00 0.90 -0.56 0.35 0.00 0.00 0.00 179.25 179.94 1tkv h PHE 36 N 0.03 0.98 -0.62 0.00 3.57 -0.23 -1.49 116.94 119.17 1tkv h PHE 36 Ca -0.01 -0.35 0.05 0.00 3.53 0.00 0.00 57.97 61.18 1tkv h PHE 36 Cb 1.31 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 1tkv h PHE 36 CO 0.01 1.15 0.35 -0.07 -2.23 0.00 0.00 178.31 177.52 1tkv h LEU 37 N 0.59 0.53 -1.82 0.59 3.38 -0.17 -0.01 115.31 118.40 1tkv h LEU 37 Ca 0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1tkv h LEU 37 Cb 1.15 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1tkv h LEU 37 CO 0.12 0.35 -0.11 0.78 0.09 0.00 0.00 178.44 179.67 1tkv h ASN 38 N 0.66 0.00 0.03 -0.43 2.35 -1.03 -1.15 115.58 116.02 1tkv h ASN 38 Ca 0.27 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1tkv h ASN 38 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1tkv h ASN 38 CO -0.16 0.11 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.38 1tkv h GLU 39 N 0.00 -0.04 0.00 0.81 4.39 -0.28 -3.38 114.58 116.09 1tkv h GLU 39 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tkv h GLU 39 Cb 0.40 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1tkv h GLU 39 CO 0.01 -0.02 0.00 -0.84 -1.16 0.00 0.00 179.01 177.00 1tkv h ILE 40 N -0.58 0.00 -0.28 3.13 -2.65 -1.10 -3.47 117.51 112.56 1tkv h ILE 40 Ca -0.00 -0.44 0.00 0.00 1.03 0.00 0.00 64.86 65.44 1tkv h ILE 40 Cb 0.03 1.33 0.00 0.00 -2.05 0.00 0.00 36.82 36.13 1tkv h ILE 40 CO 0.01 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.80 1tkv n GLY 41 N 0.32 1.07 3.63 0.16 0.00 -0.49 -5.04 105.19 104.84 1tkv n GLY 41 Ca 0.02 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.28 4.06 0.24 1.61 1.01 -0.88 -5.00 120.40 119.15 1tkv s VAL 42 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1tkv s VAL 42 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1tkv s VAL 42 CO 0.00 -0.47 0.42 0.42 0.00 0.00 0.00 175.10 175.47 1tkv s THR 43 N 4.58 5.19 0.00 3.92 -4.23 -1.26 -4.57 115.64 119.25 1tkv s THR 43 Ca 0.59 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 1tkv s THR 43 Cb -0.17 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1tkv s THR 43 CO 0.25 -0.27 0.00 1.57 -0.54 0.00 0.00 174.62 175.63 1tkv n HIS 44 N -0.97 0.00 -1.34 3.99 -0.00 -1.15 -4.69 115.22 111.06 1tkv n HIS 44 Ca -0.05 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.90 1tkv n HIS 44 Cb 0.55 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.34 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 0.00 2.27 -0.95 1.57 1.02 -1.26 -3.14 120.64 120.15 1tkv n GLU 45 Ca 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 1tkv n GLU 45 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 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 1.20 0.44 3.57 0.62 0.00 -1.26 -4.79 105.19 104.97 1tkv n GLY 46 Ca 0.46 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.55 1.94 0.31 1.61 0.52 -1.26 -5.01 118.95 116.51 1tkv s ARG 47 Ca 0.00 -1.75 -0.29 0.00 -0.52 0.00 0.00 55.73 53.18 1tkv s ARG 47 Cb 0.00 -1.87 -0.10 0.00 0.52 0.00 0.00 34.95 33.50 1tkv s ARG 47 CO 0.00 0.23 1.22 0.15 0.02 0.00 0.00 175.30 176.92 1tkv s LYS 48 N -3.63 4.46 -0.18 3.54 -0.14 -1.26 -2.94 119.74 119.59 1tkv s LYS 48 Ca 0.32 2.04 -0.16 0.00 -1.36 0.00 0.00 55.97 56.82 1tkv s LYS 48 Cb -0.02 -3.10 -0.04 0.00 -1.68 0.00 0.00 37.83 32.99 1tkv s LYS 48 CO 0.18 -0.04 0.39 -1.17 -0.76 0.00 0.00 175.35 173.95 1tkv s LEU 49 N -1.68 4.20 0.00 3.17 0.20 -1.26 -4.84 118.68 118.46 1tkv s LEU 49 Ca 0.47 0.57 0.02 0.00 0.69 0.00 0.00 54.13 55.88 1tkv s LEU 49 Cb -0.36 -2.52 0.04 0.00 -0.43 0.00 0.00 46.19 42.91 1tkv s LEU 49 CO 0.48 -0.02 0.28 0.59 -0.29 0.00 0.00 176.35 177.38 1tkv n ASN 50 N 4.12 0.59 -0.04 3.68 3.02 -1.26 -4.82 115.26 120.55 1tkv n ASN 50 Ca -0.09 -1.44 -0.22 0.00 -0.03 0.00 0.00 54.58 52.80 1tkv n ASN 50 Cb 0.51 -0.16 -0.13 0.00 -0.61 0.00 0.00 39.78 39.39 1tkv n ASN 50 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1tkv n GLN 51 N -1.46 0.69 0.05 3.52 7.27 -1.26 -3.21 117.38 122.97 1tkv n GLN 51 Ca 0.05 0.37 -0.12 0.00 0.07 0.00 0.00 57.00 57.37 1tkv n GLN 51 Cb 0.19 -1.72 -0.07 0.00 2.41 0.00 0.00 30.24 31.05 1tkv n GLN 51 CO 0.00 0.00 0.00 -2.95 0.07 0.00 0.00 177.06 174.18 1tkv h ASN 52 N -0.33 -0.02 0.63 1.69 7.08 -2.00 -2.95 115.58 119.69 1tkv h ASN 52 Ca -0.40 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 52.79 1tkv h ASN 52 Cb 1.77 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 38.01 1tkv h ASN 52 CO -0.03 0.02 -0.13 -1.20 -2.08 0.00 0.00 177.43 174.01 1tkv n SER 53 N -5.08 0.25 -0.04 6.14 7.64 -1.26 -2.20 113.62 119.06 1tkv n SER 53 Ca -0.07 -0.10 -0.14 0.00 1.01 0.00 0.00 58.87 59.57 1tkv n SER 53 Cb 0.05 -0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 1tkv n SER 53 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1tkv h PHE 54 N 0.19 0.41 0.00 1.43 3.57 -1.51 -3.08 116.94 117.95 1tkv h PHE 54 Ca 0.00 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1tkv h PHE 54 Cb 0.42 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1tkv h PHE 54 CO 0.00 0.84 0.00 0.00 -2.23 0.00 0.00 178.31 176.92 1tkv h ARG 55 N -0.13 0.00 -0.12 1.11 3.08 -1.26 -1.38 114.38 115.68 1tkv h ARG 55 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1tkv h ARG 55 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 1tkv h ARG 55 CO 0.05 0.00 0.00 1.57 -1.07 0.00 0.00 179.97 180.52 1tkv h LYS 56 N 0.00 0.21 -0.59 0.04 2.10 -1.53 -2.90 116.57 113.89 1tkv h LYS 56 Ca 0.00 -0.06 0.05 0.00 -2.00 0.00 0.00 60.65 58.63 1tkv h LYS 56 Cb 0.46 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.72 1tkv h LYS 56 CO 0.00 0.45 0.33 -0.84 -2.00 0.00 0.00 179.45 177.38 1tkv h ILE 57 N -0.06 0.98 0.02 0.07 3.07 -1.17 -1.68 117.51 118.75 1tkv h ILE 57 Ca 0.03 -0.21 -0.06 0.00 1.55 0.00 0.00 64.86 66.17 1tkv h ILE 57 Cb 0.35 0.30 0.01 0.00 -0.27 0.00 0.00 36.82 37.21 1tkv h ILE 57 CO 0.01 0.11 -0.23 -0.37 -1.05 0.00 0.00 178.15 176.62 1tkv h VAL 58 N 0.63 1.63 0.07 0.16 -1.51 -1.68 -3.40 116.25 112.15 1tkv h VAL 58 Ca 0.26 -2.16 -0.00 0.00 -1.23 0.00 0.00 66.70 63.57 1tkv h VAL 58 Cb 0.13 3.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 1tkv h VAL 58 CO -0.16 0.58 -0.04 -1.28 -1.23 0.00 0.00 177.57 175.45 1tkv h SER 59 N -0.67 -0.08 -0.10 4.19 0.87 -1.38 -3.37 113.55 113.01 1tkv h SER 59 Ca -0.03 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1tkv h SER 59 Cb 1.08 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1tkv h SER 59 CO 0.04 0.60 0.00 -1.84 -0.53 0.00 0.00 176.83 175.10 1tkv n GLU 60 N -4.79 1.33 -1.11 2.24 0.28 -0.64 -4.88 120.64 113.06 1tkv n GLU 60 Ca -0.07 -0.39 -0.35 0.00 -0.16 0.00 0.00 57.16 56.19 1tkv n GLU 60 Cb 0.28 -1.23 0.09 0.00 1.43 0.00 0.00 31.44 32.00 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 -0.12 1.17 -4.93 -1.84 4.77 -1.26 -5.03 117.00 109.77 1tkv n LEU 61 Ca 0.04 0.52 -0.26 0.00 -0.03 0.00 0.00 56.01 56.28 1tkv n LEU 61 Cb 0.17 -1.26 0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1tkv n LEU 61 CO 0.03 -3.01 0.62 0.42 -1.33 0.00 0.00 177.39 174.12 1tkv s THR 62 N -2.07 2.27 0.26 -5.08 -4.23 -1.26 -4.97 115.64 100.55 1tkv s THR 62 Ca 0.64 -0.27 0.16 0.00 -1.18 0.00 0.00 61.69 61.04 1tkv s THR 62 Cb -0.30 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.64 1tkv s THR 62 CO 0.59 0.00 1.75 1.56 -0.54 0.00 0.00 174.62 177.98 1tkv h GLN 63 N -0.60 0.00 -0.23 3.99 4.20 -1.98 -2.55 115.11 117.94 1tkv h GLN 63 Ca -0.44 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.16 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 0.60 0.42 -0.30 0.93 -0.67 0.00 0.00 178.83 179.81 1tkv h GLU 64 N 0.00 0.45 -0.55 1.46 5.08 -1.98 0.46 114.58 119.51 1tkv h GLU 64 Ca -0.00 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1tkv h GLU 64 Cb 0.85 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1tkv h GLU 64 CO 0.05 0.71 0.10 -0.44 -1.00 0.00 0.00 179.01 178.43 1tkv h ASP 65 N 0.39 0.86 0.47 1.42 3.32 -1.92 -0.54 116.42 120.43 1tkv h ASP 65 Ca 0.05 -0.26 -0.23 0.00 0.02 0.00 0.00 57.03 56.61 1tkv h ASP 65 Cb 0.72 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1tkv h ASP 65 CO 0.06 0.90 -1.01 0.11 -1.72 0.00 0.00 179.24 177.58 1tkv h LYS 66 N 0.79 0.32 -0.15 3.56 1.57 -1.34 -1.00 116.57 120.31 1tkv h LYS 66 Ca 0.17 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1tkv h LYS 66 Cb 0.40 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1tkv h LYS 66 CO 0.01 1.10 -0.03 0.87 -0.57 0.00 0.00 179.45 180.83 1tkv h LYS 67 N 0.16 0.22 -0.30 3.15 1.79 -0.86 -0.46 116.57 120.28 1tkv h LYS 67 Ca -0.09 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.24 1tkv h LYS 67 Cb 1.67 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.26 1tkv h LYS 67 CO 0.17 0.28 -0.25 1.15 -1.08 0.00 0.00 179.45 179.71 1tkv h THR 68 N 0.22 1.27 -0.35 -0.16 2.02 -0.50 0.13 112.91 115.54 1tkv h THR 68 Ca 0.05 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 1tkv h THR 68 Cb 0.21 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1tkv h THR 68 CO 0.01 0.43 0.12 -0.07 0.37 0.00 0.00 175.52 176.38 1tkv h LEU 69 N 0.52 0.49 -0.95 2.58 3.38 -0.94 -3.07 115.31 117.32 1tkv h LEU 69 Ca 0.07 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1tkv h LEU 69 Cb 0.71 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1tkv h LEU 69 CO 0.05 0.55 0.24 0.40 0.09 0.00 0.00 178.44 179.77 1tkv h ILE 70 N 0.41 1.24 -0.68 1.22 2.04 -0.67 0.74 117.51 121.82 1tkv h ILE 70 Ca 0.11 -0.78 0.10 0.00 1.00 0.00 0.00 64.86 65.29 1tkv h ILE 70 Cb 0.22 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1tkv h ILE 70 CO -0.01 0.31 0.32 0.44 0.00 0.00 0.00 178.15 179.21 1tkv h ASP 71 N 0.98 0.39 1.00 1.72 3.32 -0.76 -2.98 116.42 120.08 1tkv h ASP 71 Ca 0.22 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1tkv h ASP 71 Cb 0.23 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1tkv h ASP 71 CO -0.01 0.22 -0.97 -0.33 -1.72 0.00 0.00 179.24 176.42 1tkv h GLU 72 N 0.54 0.00 -2.30 3.56 5.08 -1.38 -3.43 114.58 116.65 1tkv h GLU 72 Ca 0.34 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.16 1tkv h GLU 72 Cb 0.39 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.28 1tkv h GLU 72 CO -0.29 0.00 -0.89 -0.06 -1.00 0.00 0.00 179.01 176.78 1tkv s PHE 73 N -3.35 0.68 -0.09 4.33 0.40 0.22 -5.02 117.98 115.16 1tkv s PHE 73 Ca -0.00 -1.89 -0.06 0.00 -0.60 0.00 0.00 56.93 54.39 1tkv s PHE 73 Cb 0.10 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1tkv s PHE 73 CO 0.79 -0.87 0.22 -0.91 0.70 0.00 0.00 175.22 175.14 1tkv h ASN 74 N 6.10 -0.11 -0.09 1.36 -0.26 -1.80 -2.10 115.58 118.68 1tkv h ASN 74 Ca 0.18 -0.07 -0.18 0.00 -0.56 0.00 0.00 56.30 55.67 1tkv h ASN 74 Cb 0.95 0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 38.24 1tkv h ASN 74 CO 0.30 0.41 -0.58 -0.33 -1.06 0.00 0.00 177.43 176.17 1tkv h GLU 75 N -1.03 0.69 0.34 0.81 5.08 -1.95 -3.06 114.58 115.46 1tkv h GLU 75 Ca -0.01 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1tkv h GLU 75 Cb 0.17 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1tkv h GLU 75 CO 0.02 1.07 -0.16 0.78 -1.00 0.00 0.00 179.01 179.72 1tkv h GLY 76 N 0.90 -0.48 0.80 -3.84 0.00 -1.96 -3.12 103.07 95.36 1tkv h GLY 76 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 1tkv h GLY 76 CO 0.12 -0.17 -0.49 -2.75 0.00 0.00 0.00 176.54 173.25 1tkv h PHE 77 N -0.83 0.61 -0.80 5.60 3.04 -1.53 -3.07 116.94 119.95 1tkv h PHE 77 Ca -0.05 -0.29 0.01 0.00 3.98 0.00 0.00 57.97 61.63 1tkv h PHE 77 Cb 0.53 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.91 1tkv h PHE 77 CO 0.03 1.07 0.53 0.93 -2.02 0.00 0.00 178.31 178.84 1tkv h GLU 78 N -0.03 1.04 0.60 1.11 5.08 -1.63 0.44 114.58 121.19 1tkv h GLU 78 Ca -0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1tkv h GLU 78 Cb 1.15 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1tkv h GLU 78 CO 0.10 0.69 -0.32 0.78 -1.00 0.00 0.00 179.01 179.26 1tkv h GLY 79 N 1.07 -0.96 2.00 -3.84 0.00 -1.66 -3.11 103.07 96.58 1tkv h GLY 79 Ca 0.30 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.99 1tkv h GLY 79 CO -0.08 -0.34 -0.09 -0.39 0.00 0.00 0.00 176.54 175.65 1tkv h VAL 80 N -0.84 0.38 0.00 4.60 -1.51 -1.33 -2.57 116.25 114.97 1tkv h VAL 80 Ca -0.08 -0.49 -0.12 0.00 -1.23 0.00 0.00 66.70 64.78 1tkv h VAL 80 Cb 0.66 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 1tkv h VAL 80 CO 0.11 0.09 -0.58 0.22 -1.23 0.00 0.00 177.57 176.18 1tkv h TYR 81 N 0.00 0.00 -0.51 5.19 3.20 -0.21 0.34 116.97 124.98 1tkv h TYR 81 Ca -0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1tkv h TYR 81 Cb 0.34 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1tkv h TYR 81 CO 0.00 0.58 0.17 0.00 -1.64 0.00 0.00 178.16 177.27 1tkv h ARG 82 N 0.00 0.79 0.95 1.82 2.47 -1.38 0.02 114.38 119.04 1tkv h ARG 82 Ca -0.01 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.50 1tkv h ARG 82 Cb 1.26 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 29.47 1tkv h ARG 82 CO 0.08 0.73 -0.45 1.88 0.56 0.00 0.00 179.97 182.76 1tkv h TYR 83 N 0.70 -1.18 -0.95 3.04 -1.99 -1.43 -2.15 116.97 113.00 1tkv h TYR 83 Ca 0.17 -0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.94 1tkv h TYR 83 Cb 0.26 0.39 -0.07 0.00 2.00 0.00 0.00 36.73 39.31 1tkv h TYR 83 CO 0.01 -0.73 0.60 -0.07 -0.00 0.00 0.00 178.16 177.97 1tkv h LEU 84 N -1.31 0.94 -0.32 3.88 3.38 -0.36 -2.49 115.31 119.03 1tkv h LEU 84 Ca -0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1tkv h LEU 84 Cb 0.97 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1tkv h LEU 84 CO 0.21 0.59 0.13 -0.33 0.09 0.00 0.00 178.44 179.13 1tkv h GLU 85 N 1.07 0.48 0.00 1.13 4.39 -0.89 -2.93 114.58 117.83 1tkv h GLU 85 Ca 0.42 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 1tkv h GLU 85 Cb 0.22 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1tkv h GLU 85 CO -0.19 0.48 -0.01 0.00 -1.16 0.00 0.00 179.01 178.13 1tkv h MET 86 N 0.37 0.00 0.00 2.33 -0.00 -1.05 -2.06 114.93 114.52 1tkv h MET 86 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.81 1tkv h MET 86 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 1tkv h MET 86 CO -0.01 0.01 -0.04 1.88 -0.00 0.00 0.00 176.91 178.75 1tkv h TYR 87 N 0.00 0.00 -1.61 -0.10 0.05 -1.36 -3.38 116.97 110.57 1tkv h TYR 87 Ca -0.00 0.00 -0.47 0.00 0.05 0.00 0.00 58.73 58.31 1tkv h TYR 87 Cb 0.59 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 38.01 1tkv h TYR 87 CO 0.00 0.00 -0.91 -2.37 -1.05 0.00 0.00 178.16 173.83 1tkv n THR 88 N -2.39 -0.62 -4.35 -2.88 5.66 -0.78 -3.77 114.28 105.15 1tkv n THR 88 Ca 0.05 -3.16 -0.34 0.00 -3.05 0.00 0.00 64.05 57.55 1tkv n THR 88 Cb 0.45 -0.99 -0.12 0.00 -1.55 0.00 0.00 70.33 68.12 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 -0.86 4.92 0.00 1.09 0.01 -1.19 -4.89 114.94 114.02 1tkv s ASN 89 Ca 0.34 -0.09 0.19 0.00 -0.71 0.00 0.00 52.86 52.58 1tkv s ASN 89 Cb 0.14 -1.80 0.15 0.00 0.41 0.00 0.00 41.25 40.15 1tkv s ASN 89 CO -0.15 0.18 1.10 0.29 -1.51 0.00 0.00 177.10 177.00