#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 2.50 -0.09 3.52 0.00 -1.26 -5.08 118.16 117.75 1tkv n LYS 3 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1tkv n LYS 3 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 1tkv n LYS 3 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1tkv n ASN 4 N 0.00 1.95 -0.32 -5.58 3.02 -1.26 -4.62 115.26 108.45 1tkv n ASN 4 Ca 0.00 0.32 0.08 0.00 -0.03 0.00 0.00 54.58 54.95 1tkv n ASN 4 Cb 0.00 -0.88 0.28 0.00 -0.61 0.00 0.00 39.78 38.57 1tkv n ASN 4 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1tkv h ILE 5 N -0.68 0.93 -0.66 2.41 2.10 -1.97 -2.93 117.51 116.72 1tkv h ILE 5 Ca -0.45 -0.31 0.12 0.00 1.08 0.00 0.00 64.86 65.30 1tkv h ILE 5 Cb 1.58 -0.06 -0.09 0.00 -1.09 0.00 0.00 36.82 37.15 1tkv h ILE 5 CO -0.17 0.17 0.18 0.44 -1.08 0.00 0.00 178.15 177.69 1tkv h ASP 6 N 0.91 0.08 0.46 2.19 3.32 -1.99 0.26 116.42 121.65 1tkv h ASP 6 Ca 0.45 0.11 -0.30 0.00 0.02 0.00 0.00 57.03 57.31 1tkv h ASP 6 Cb 0.48 0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.19 1tkv h ASP 6 CO -0.22 0.03 -1.36 0.74 -1.72 0.00 0.00 179.24 176.72 1tkv h THR 7 N 0.31 1.40 -0.62 0.35 2.02 -1.82 -2.93 112.91 111.63 1tkv h THR 7 Ca 0.35 -2.90 0.12 0.00 0.77 0.00 0.00 66.41 64.75 1tkv h THR 7 Cb 0.53 3.00 -0.09 0.00 -1.74 0.00 0.00 68.15 69.85 1tkv h THR 7 CO -0.41 0.86 0.14 0.58 0.37 0.00 0.00 175.52 177.05 1tkv h VAL 8 N 0.11 0.63 -0.92 3.16 2.07 -1.22 -0.77 116.25 119.30 1tkv h VAL 8 Ca -0.19 -0.09 0.17 0.00 0.82 0.00 0.00 66.70 67.41 1tkv h VAL 8 Cb 2.07 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 32.07 1tkv h VAL 8 CO 0.24 0.05 0.51 -0.09 0.02 0.00 0.00 177.57 178.30 1tkv h ARG 9 N 0.27 0.65 -0.07 1.57 2.43 -0.46 0.92 114.38 119.68 1tkv h ARG 9 Ca 0.33 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.26 1tkv h ARG 9 Cb 0.50 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1tkv h ARG 9 CO -0.42 0.43 -0.78 0.93 -1.51 0.00 0.00 179.97 178.63 1tkv h GLU 10 N 0.67 0.47 -0.09 0.20 5.08 -1.16 -2.96 114.58 116.79 1tkv h GLU 10 Ca 0.52 -0.40 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 1tkv h GLU 10 Cb 0.79 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1tkv h GLU 10 CO -0.38 1.04 -0.62 0.82 -1.00 0.00 0.00 179.01 178.87 1tkv h ILE 11 N 0.31 1.37 -0.23 3.13 2.04 -1.01 -2.71 117.51 120.43 1tkv h ILE 11 Ca -0.04 -1.98 0.06 0.00 1.00 0.00 0.00 64.86 63.89 1tkv h ILE 11 Cb 1.37 1.98 -0.07 0.00 -0.74 0.00 0.00 36.82 39.37 1tkv h ILE 11 CO 0.14 0.59 -0.26 0.40 0.00 0.00 0.00 178.15 179.03 1tkv h ILE 12 N 0.24 0.37 -0.04 -0.67 2.04 -0.79 0.17 117.51 118.84 1tkv h ILE 12 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1tkv h ILE 12 Cb 1.14 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1tkv h ILE 12 CO 0.10 0.00 0.01 0.71 0.00 0.00 0.00 178.15 178.98 1tkv h THR 13 N -0.27 1.14 -0.96 -0.27 1.35 -1.56 -1.28 112.91 111.06 1tkv h THR 13 Ca 0.13 -0.42 0.05 0.00 -0.55 0.00 0.00 66.41 65.62 1tkv h THR 13 Cb 0.47 1.36 -0.06 0.00 -1.73 0.00 0.00 68.15 68.19 1tkv h THR 13 CO -0.38 0.12 0.62 0.58 -0.25 0.00 0.00 175.52 176.20 1tkv h VAL 14 N -0.11 1.12 -0.24 6.82 2.07 -1.43 -0.62 116.25 123.87 1tkv h VAL 14 Ca 0.01 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 66.98 1tkv h VAL 14 Cb 0.17 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1tkv h VAL 14 CO -0.00 0.21 -0.45 0.00 0.02 0.00 0.00 177.57 177.35 1tkv h ALA 15 N 1.41 0.38 0.00 1.67 0.00 -0.52 -2.88 119.26 119.33 1tkv h ALA 15 Ca 0.40 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1tkv h ALA 15 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1tkv h ALA 15 CO -0.15 0.52 0.00 -1.13 0.00 0.00 0.00 179.25 178.49 1tkv n SER 16 N -4.16 0.15 -0.03 0.00 3.41 -0.49 -1.26 113.62 111.24 1tkv n SER 16 Ca -0.05 0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 58.97 1tkv n SER 16 Cb 0.57 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.39 -0.52 -1.33 1.08 -0.91 0.17 117.51 117.39 1tkv h ILE 17 Ca 0.00 -1.25 0.01 0.00 -0.39 0.00 0.00 64.86 63.23 1tkv h ILE 17 Cb 0.21 2.14 -0.03 0.00 -3.07 0.00 0.00 36.82 36.08 1tkv h ILE 17 CO 0.00 0.34 0.35 -0.07 -0.69 0.00 0.00 178.15 178.07 1tkv h LEU 18 N -0.37 0.59 -0.59 1.44 4.07 -1.10 -1.94 115.31 117.41 1tkv h LEU 18 Ca 0.01 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.80 1tkv h LEU 18 Cb 0.57 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1tkv h LEU 18 CO 0.01 0.42 -0.66 0.40 -1.08 0.00 0.00 178.44 177.54 1tkv h ILE 19 N 0.69 1.41 -0.76 1.22 2.04 -1.10 0.29 117.51 121.31 1tkv h ILE 19 Ca 0.19 -2.11 0.10 0.00 1.00 0.00 0.00 64.86 64.04 1tkv h ILE 19 Cb -0.06 2.10 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 1tkv h ILE 19 CO -0.04 0.62 0.40 0.07 0.00 0.00 0.00 178.15 179.20 1tkv h LYS 20 N 0.15 0.65 0.00 2.37 2.10 0.11 -1.97 116.57 119.98 1tkv h LYS 20 Ca -0.01 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1tkv h LYS 20 Cb 1.18 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1tkv h LYS 20 CO 0.10 0.43 -0.54 0.74 -2.00 0.00 0.00 179.45 178.18 1tkv h PHE 21 N 0.67 0.00 -2.86 0.07 0.04 -1.38 -3.48 116.94 110.00 1tkv h PHE 21 Ca 0.37 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.06 1tkv h PHE 21 Cb 0.38 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.57 1tkv h PHE 21 CO -0.09 0.00 -0.18 0.45 -0.60 0.00 0.00 178.31 177.89 1tkv n SER 22 N -2.56 -2.03 -1.95 2.17 2.88 -0.33 -4.96 113.62 106.85 1tkv n SER 22 Ca 0.03 -0.15 -0.23 0.00 -1.33 0.00 0.00 58.87 57.18 1tkv n SER 22 Cb 0.50 -1.61 0.08 0.00 -0.75 0.00 0.00 64.21 62.43 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 -1.74 2.90 0.00 -1.46 5.12 0.88 -4.73 116.66 117.63 1tkv n ARG 23 Ca -0.07 -3.65 0.08 0.00 -1.93 0.00 0.00 57.85 52.29 1tkv n ARG 23 Cb 0.54 -2.18 0.38 0.00 -1.16 0.00 0.00 32.46 30.03 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 -0.88 0.09 -0.34 5.56 0.28 -1.21 -2.05 120.64 122.10 1tkv n GLU 24 Ca 0.48 0.18 0.20 0.00 -0.16 0.00 0.00 57.16 57.87 1tkv n GLU 24 Cb 0.90 -1.50 0.38 0.00 1.43 0.00 0.00 31.44 32.66 1tkv n GLU 24 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1tkv n ASP 25 N -1.42 0.03 0.07 -1.84 9.92 -1.26 -1.39 116.55 120.66 1tkv n ASP 25 Ca 0.05 1.68 -0.13 0.00 -0.53 0.00 0.00 54.79 55.87 1tkv n ASP 25 Cb 0.17 -0.68 -0.09 0.00 -0.64 0.00 0.00 41.12 39.89 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 1.02 -1.00 0.53 2.04 -1.81 -3.33 117.51 114.97 1tkv h ILE 26 Ca 0.68 -0.70 0.20 0.00 1.00 0.00 0.00 64.86 66.04 1tkv h ILE 26 Cb 1.55 1.45 -0.10 0.00 -0.74 0.00 0.00 36.82 38.99 1tkv h ILE 26 CO -0.89 0.16 0.61 0.58 0.00 0.00 0.00 178.15 178.62 1tkv h VAL 27 N -0.51 0.69 -0.31 1.67 2.07 -1.50 -2.77 116.25 115.59 1tkv h VAL 27 Ca -0.02 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.35 1tkv h VAL 27 Cb 0.40 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1tkv h VAL 27 CO 0.03 0.13 0.36 -0.08 0.02 0.00 0.00 177.57 178.03 1tkv h GLU 28 N 0.69 0.00 -5.23 1.57 4.81 -1.33 -3.40 114.58 111.69 1tkv h GLU 28 Ca 0.57 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 59.14 1tkv h GLU 28 Cb 0.98 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.09 1tkv h GLU 28 CO -0.35 0.00 -0.75 1.21 -0.73 0.00 0.00 179.01 178.39 1tkv s ASN 29 N -5.35 4.14 0.22 1.04 3.84 -1.04 -4.82 114.94 112.96 1tkv s ASN 29 Ca -0.04 -0.33 -0.15 0.00 0.21 0.00 0.00 52.86 52.55 1tkv s ASN 29 Cb 0.15 -1.66 0.25 0.00 -0.55 0.00 0.00 41.25 39.44 1tkv s ASN 29 CO 0.52 0.12 1.59 -0.09 -2.79 0.00 0.00 177.10 176.45 1tkv h ARG 30 N 7.08 -0.05 0.12 0.43 2.43 -1.79 -1.77 114.38 120.83 1tkv h ARG 30 Ca -0.31 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.57 1tkv h ARG 30 Cb 1.19 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1tkv h ARG 30 CO 0.58 -0.03 -1.42 0.00 -1.51 0.00 0.00 179.97 177.59 1tkv h ALA 31 N 1.47 0.20 0.00 2.80 0.00 -1.93 -2.64 119.26 119.15 1tkv h ALA 31 Ca 0.33 -1.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 1tkv h ALA 31 Cb 0.57 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1tkv h ALA 31 CO -0.79 1.07 -0.32 -0.91 0.00 0.00 0.00 179.25 178.30 1tkv h ASN 32 N 0.07 0.00 0.18 0.00 -0.26 -1.84 0.59 115.58 114.32 1tkv h ASN 32 Ca -0.20 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.53 1tkv h ASN 32 Cb 2.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.26 1tkv h ASN 32 CO 0.18 0.32 -0.09 0.15 -1.06 0.00 0.00 177.43 176.93 1tkv h PHE 33 N 0.00 -0.22 -1.00 1.19 3.57 -1.24 -1.90 116.94 117.34 1tkv h PHE 33 Ca -0.00 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.70 1tkv h PHE 33 Cb 0.72 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.44 1tkv h PHE 33 CO 0.00 0.16 0.62 0.82 -2.23 0.00 0.00 178.31 177.68 1tkv h ILE 34 N -0.68 0.67 -0.49 1.41 2.04 -1.35 0.27 117.51 119.38 1tkv h ILE 34 Ca -0.02 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1tkv h ILE 34 Cb 0.49 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1tkv h ILE 34 CO 0.04 0.12 0.31 0.00 0.00 0.00 0.00 178.15 178.62 1tkv h ALA 35 N 1.65 0.62 -0.05 1.87 0.00 -0.90 -2.19 119.26 120.26 1tkv h ALA 35 Ca 0.57 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 1tkv h ALA 35 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1tkv h ALA 35 CO -0.35 0.09 -0.46 0.35 0.00 0.00 0.00 179.25 178.88 1tkv h PHE 36 N 0.66 0.14 -0.50 0.00 3.57 -0.26 -1.51 116.94 119.04 1tkv h PHE 36 Ca 0.18 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1tkv h PHE 36 Cb -0.03 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1tkv h PHE 36 CO -0.03 0.56 0.28 -0.07 -2.23 0.00 0.00 178.31 176.82 1tkv h LEU 37 N 0.09 0.60 -0.57 0.59 3.38 -0.08 -0.53 115.31 118.79 1tkv h LEU 37 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1tkv h LEU 37 Cb 0.85 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1tkv h LEU 37 CO 0.07 0.47 -0.22 0.78 0.09 0.00 0.00 178.44 179.63 1tkv h ASN 38 N 0.69 0.00 0.02 -0.43 2.35 -1.23 -1.79 115.58 115.19 1tkv h ASN 38 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1tkv h ASN 38 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1tkv h ASN 38 CO -0.03 0.22 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.88 1tkv h GLU 39 N 0.00 -0.02 0.01 0.81 4.81 -0.13 -3.37 114.58 116.68 1tkv h GLU 39 Ca -0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1tkv h GLU 39 Cb 0.96 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 1tkv h GLU 39 CO 0.03 0.67 -1.30 -0.84 -0.73 0.00 0.00 179.01 176.85 1tkv h ILE 40 N -0.77 1.36 -0.21 2.32 -2.65 -1.27 -3.49 117.51 112.81 1tkv h ILE 40 Ca -0.00 -3.12 0.00 0.00 1.03 0.00 0.00 64.86 62.77 1tkv h ILE 40 Cb 0.71 2.69 0.00 0.00 -2.05 0.00 0.00 36.82 38.17 1tkv h ILE 40 CO 0.00 0.79 0.00 0.61 0.03 0.00 0.00 178.15 179.58 1tkv n GLY 41 N 1.45 0.73 3.59 0.16 0.00 -0.72 -5.06 105.19 105.35 1tkv n GLY 41 Ca -0.07 -0.08 -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 -1.69 4.22 0.11 1.61 1.01 -0.92 -5.02 120.40 119.72 1tkv s VAL 42 Ca 0.00 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.13 1tkv s VAL 42 Cb 0.00 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 1tkv s VAL 42 CO 0.00 -1.02 0.23 0.42 0.00 0.00 0.00 175.10 174.73 1tkv s THR 43 N 4.42 5.24 0.00 3.92 -4.23 -1.26 -4.42 115.64 119.31 1tkv s THR 43 Ca 0.46 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1tkv s THR 43 Cb -0.07 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1tkv s THR 43 CO 0.31 0.01 0.00 1.57 -0.54 0.00 0.00 174.62 175.97 1tkv n HIS 44 N -0.15 0.00 -1.23 3.99 -0.00 -1.10 -4.58 115.22 112.15 1tkv n HIS 44 Ca -0.06 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.89 1tkv n HIS 44 Cb 0.53 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.38 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 2.15 -1.05 1.57 1.02 -1.26 -4.69 120.64 118.38 1tkv n GLU 45 Ca 0.00 -2.02 -0.02 0.00 -0.02 0.00 0.00 57.16 55.10 1tkv n GLU 45 Cb 0.00 -1.93 -0.01 0.00 -0.02 0.00 0.00 31.44 29.49 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 0.64 0.51 3.20 0.62 0.00 -1.26 -5.02 105.19 103.88 1tkv n GLY 46 Ca 0.41 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.14 0.91 0.57 1.61 0.52 -1.26 -5.08 118.95 115.08 1tkv s ARG 47 Ca 0.00 -1.14 -0.20 0.00 -0.52 0.00 0.00 55.73 53.86 1tkv s ARG 47 Cb 0.00 -0.75 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 1tkv s ARG 47 CO 0.00 0.14 1.28 0.15 0.02 0.00 0.00 175.30 176.89 1tkv s LYS 48 N -2.50 3.05 -0.19 3.54 -0.14 -1.26 -2.72 119.74 119.53 1tkv s LYS 48 Ca 0.05 2.04 -0.18 0.00 -1.36 0.00 0.00 55.97 56.52 1tkv s LYS 48 Cb -0.05 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 1tkv s LYS 48 CO 0.02 -1.20 0.50 -1.17 -0.76 0.00 0.00 175.35 172.73 1tkv s LEU 49 N -3.78 4.17 0.46 3.17 0.20 -1.26 -4.81 118.68 116.83 1tkv s LEU 49 Ca 0.74 0.68 0.08 0.00 0.69 0.00 0.00 54.13 56.32 1tkv s LEU 49 Cb -0.36 -2.68 0.02 0.00 -0.43 0.00 0.00 46.19 42.75 1tkv s LEU 49 CO 0.41 -0.14 0.59 0.20 -0.29 0.00 0.00 176.35 177.12 1tkv s ASN 50 N 1.05 5.43 -0.00 3.68 0.01 -1.26 -4.76 114.94 119.09 1tkv s ASN 50 Ca 0.24 -0.58 -0.22 0.00 -0.71 0.00 0.00 52.86 51.59 1tkv s ASN 50 Cb -0.15 -0.40 -0.20 0.00 0.41 0.00 0.00 41.25 40.91 1tkv s ASN 50 CO 0.09 -0.89 1.18 1.56 -1.51 0.00 0.00 177.10 177.53 1tkv h GLN 51 N 0.58 0.29 -0.51 -0.60 4.20 -1.96 0.27 115.11 117.39 1tkv h GLN 51 Ca -0.38 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.09 1tkv h GLN 51 Cb 1.28 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 1tkv h GLN 51 CO 0.46 0.87 0.30 -2.95 -0.67 0.00 0.00 178.83 176.84 1tkv h ASN 52 N -0.22 0.62 1.89 1.46 -1.07 -1.99 -2.66 115.58 113.61 1tkv h ASN 52 Ca -0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 56.30 56.27 1tkv h ASN 52 Cb 0.92 -0.16 -0.00 0.00 -2.07 0.00 0.00 38.32 37.01 1tkv h ASN 52 CO 0.06 0.51 -0.07 0.28 0.07 0.00 0.00 177.43 178.28 1tkv h SER 53 N 0.68 0.00 0.44 6.14 0.02 -1.93 -1.76 113.55 117.13 1tkv h SER 53 Ca 0.18 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1tkv h SER 53 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1tkv h SER 53 CO -0.03 0.07 -0.21 0.15 -1.14 0.00 0.00 176.83 175.67 1tkv h PHE 54 N 0.00 -0.54 0.00 3.45 3.57 -0.48 -3.12 116.94 119.82 1tkv h PHE 54 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1tkv h PHE 54 Cb 1.03 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 1tkv h PHE 54 CO 0.00 -0.29 -0.08 -0.09 -2.23 0.00 0.00 178.31 175.61 1tkv h ARG 55 N -0.67 0.00 -0.07 1.11 2.43 -1.10 -1.49 114.38 114.59 1tkv h ARG 55 Ca -0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1tkv h ARG 55 Cb 0.50 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1tkv h ARG 55 CO 0.10 0.08 0.00 1.57 -1.51 0.00 0.00 179.97 180.21 1tkv h LYS 56 N 0.00 0.12 -0.35 0.20 2.10 -1.41 -1.99 116.57 115.24 1tkv h LYS 56 Ca -0.00 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1tkv h LYS 56 Cb 0.18 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.48 1tkv h LYS 56 CO 0.01 0.39 0.18 -0.84 -2.00 0.00 0.00 179.45 177.19 1tkv h ILE 57 N -0.16 1.00 0.10 0.07 3.07 -1.23 -1.57 117.51 118.79 1tkv h ILE 57 Ca 0.02 -0.13 -0.26 0.00 1.55 0.00 0.00 64.86 66.04 1tkv h ILE 57 Cb 0.33 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 37.47 1tkv h ILE 57 CO 0.00 0.07 -1.18 -0.37 -1.05 0.00 0.00 178.15 175.62 1tkv h VAL 58 N 0.38 1.48 0.27 0.16 -1.51 -1.48 -3.38 116.25 112.17 1tkv h VAL 58 Ca 0.15 -2.95 -0.01 0.00 -1.23 0.00 0.00 66.70 62.65 1tkv h VAL 58 Cb 0.04 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 1tkv h VAL 58 CO -0.09 0.86 -0.13 0.28 -1.23 0.00 0.00 177.57 177.26 1tkv h SER 59 N 0.10 -0.31 -0.04 4.19 0.02 -1.37 -3.39 113.55 112.75 1tkv h SER 59 Ca -0.12 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1tkv h SER 59 Cb 1.89 0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1tkv h SER 59 CO 0.19 0.18 0.00 -1.84 -1.14 0.00 0.00 176.83 174.23 1tkv n GLU 60 N -5.02 1.11 -1.53 3.45 0.28 -0.59 -4.89 120.64 113.45 1tkv n GLU 60 Ca -0.06 -0.16 -0.46 0.00 -0.16 0.00 0.00 57.16 56.31 1tkv n GLU 60 Cb 0.21 -1.07 -0.02 0.00 1.43 0.00 0.00 31.44 31.99 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 -0.40 0.80 -4.84 -1.84 4.77 -1.26 -4.98 117.00 109.25 1tkv n LEU 61 Ca 0.03 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.87 1tkv n LEU 61 Cb 0.05 -1.17 0.07 0.00 -2.33 0.00 0.00 43.42 40.03 1tkv n LEU 61 CO 0.02 -1.89 0.73 0.42 -1.33 0.00 0.00 177.39 175.35 1tkv s THR 62 N -0.93 3.39 0.31 -5.08 -4.23 -1.26 -4.90 115.64 102.94 1tkv s THR 62 Ca 0.62 0.45 0.03 0.00 -1.18 0.00 0.00 61.69 61.62 1tkv s THR 62 Cb -0.80 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 70.03 1tkv s THR 62 CO 0.58 -0.59 1.87 1.56 -0.54 0.00 0.00 174.62 177.50 1tkv h GLN 63 N -0.85 0.89 0.00 3.99 7.50 -1.99 -1.70 115.11 122.96 1tkv h GLN 63 Ca -0.46 -0.05 -0.07 0.00 0.50 0.00 0.00 58.65 58.57 1tkv h GLN 63 Cb 1.25 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.57 1tkv h GLN 63 CO 0.61 0.59 -0.34 0.93 -1.50 0.00 0.00 178.83 179.12 1tkv h GLU 64 N 0.92 0.00 -0.20 1.46 5.08 -1.98 0.28 114.58 120.13 1tkv h GLU 64 Ca 0.44 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.63 1tkv h GLU 64 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1tkv h GLU 64 CO -0.20 0.34 -0.57 -0.44 -1.00 0.00 0.00 179.01 177.14 1tkv h ASP 65 N 0.00 0.71 -0.04 1.42 3.32 -1.69 -2.37 116.42 117.78 1tkv h ASP 65 Ca -0.00 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 1tkv h ASP 65 Cb 0.77 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1tkv h ASP 65 CO 0.04 1.13 -0.12 0.11 -1.72 0.00 0.00 179.24 178.68 1tkv h LYS 66 N 0.48 0.15 0.00 3.56 1.57 -0.91 -2.41 116.57 119.01 1tkv h LYS 66 Ca 0.01 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1tkv h LYS 66 Cb 1.13 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1tkv h LYS 66 CO 0.11 0.74 -0.02 0.87 -0.57 0.00 0.00 179.45 180.58 1tkv h LYS 67 N -0.42 0.00 -0.26 3.15 1.79 -1.05 0.17 116.57 119.96 1tkv h LYS 67 Ca -0.01 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1tkv h LYS 67 Cb 0.75 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1tkv h LYS 67 CO 0.03 0.02 0.01 1.15 -1.08 0.00 0.00 179.45 179.58 1tkv h THR 68 N 0.00 1.25 0.00 -0.16 2.02 -1.15 0.80 112.91 115.67 1tkv h THR 68 Ca -0.00 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 1tkv h THR 68 Cb 0.05 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1tkv h THR 68 CO 0.00 0.28 -0.26 -0.07 0.37 0.00 0.00 175.52 175.84 1tkv h LEU 69 N 0.24 0.00 -0.28 2.58 3.38 -0.68 0.19 115.31 120.74 1tkv h LEU 69 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1tkv h LEU 69 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1tkv h LEU 69 CO 0.01 0.26 -0.62 0.40 0.09 0.00 0.00 178.44 178.58 1tkv h ILE 70 N 0.00 1.28 0.01 1.22 1.08 -0.56 -0.95 117.51 119.59 1tkv h ILE 70 Ca -0.00 -1.82 -0.19 0.00 -0.39 0.00 0.00 64.86 62.46 1tkv h ILE 70 Cb 0.61 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 36.10 1tkv h ILE 70 CO 0.03 0.58 -0.89 0.44 -0.69 0.00 0.00 178.15 177.63 1tkv h ASP 71 N 0.61 0.14 -0.00 1.72 3.32 0.13 -3.30 116.42 119.04 1tkv h ASP 71 Ca -0.01 -0.12 -0.25 0.00 0.02 0.00 0.00 57.03 56.67 1tkv h ASP 71 Cb 1.23 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.75 1tkv h ASP 71 CO 0.13 0.96 -0.95 -0.33 -1.72 0.00 0.00 179.24 177.33 1tkv h GLU 72 N 0.05 0.70 -2.42 3.56 5.08 -0.68 -3.40 114.58 117.47 1tkv h GLU 72 Ca -0.03 -0.69 -0.60 0.00 -1.00 0.00 0.00 59.36 57.04 1tkv h GLU 72 Cb 1.54 0.18 -0.41 0.00 0.50 0.00 0.00 28.75 30.56 1tkv h GLU 72 CO 0.13 1.28 -0.68 1.19 -1.00 0.00 0.00 179.01 179.93 1tkv n PHE 73 N -3.87 2.74 0.00 4.33 3.72 -0.36 -5.01 117.46 119.02 1tkv n PHE 73 Ca -0.09 -4.07 0.00 0.00 -0.05 0.00 0.00 57.45 53.24 1tkv n PHE 73 Cb 0.84 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 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 1.34 0.00 0.14 4.37 4.13 -1.24 -0.23 115.26 123.77 1tkv n ASN 74 Ca 0.26 0.86 -0.14 0.00 1.68 0.00 0.00 54.58 57.24 1tkv n ASN 74 Cb 0.41 -0.36 -0.08 0.00 -1.54 0.00 0.00 39.78 38.21 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1tkv h GLU 75 N 0.00 -0.32 0.38 3.52 4.39 -1.95 -3.11 114.58 117.49 1tkv h GLU 75 Ca 0.00 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1tkv h GLU 75 Cb 0.00 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1tkv h GLU 75 CO 0.00 -0.05 -0.26 0.78 -1.16 0.00 0.00 179.01 178.32 1tkv h GLY 76 N -0.58 -0.88 2.00 -3.84 0.00 -1.99 -3.20 103.07 94.58 1tkv h GLY 76 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1tkv h GLY 76 CO 0.06 -0.30 0.00 -2.75 0.00 0.00 0.00 176.54 173.55 1tkv h PHE 77 N -0.60 0.00 0.59 5.60 3.04 -0.76 0.27 116.94 125.09 1tkv h PHE 77 Ca -0.05 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 1tkv h PHE 77 Cb 0.49 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.01 1tkv h PHE 77 CO -0.04 0.00 -0.29 0.93 -2.02 0.00 0.00 178.31 176.89 1tkv h GLU 78 N 0.00 -0.77 0.11 1.11 5.08 -1.55 -2.70 114.58 115.86 1tkv h GLU 78 Ca 0.00 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1tkv h GLU 78 Cb 0.56 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1tkv h GLU 78 CO 0.00 -0.51 -0.05 0.78 -1.00 0.00 0.00 179.01 178.23 1tkv h GLY 79 N -0.81 -0.16 2.00 -3.84 0.00 -1.52 -3.21 103.07 95.53 1tkv h GLY 79 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1tkv h GLY 79 CO 0.13 -0.06 0.00 -0.39 0.00 0.00 0.00 176.54 176.23 1tkv h VAL 80 N -0.82 0.00 0.00 4.60 -1.51 -1.08 -1.87 116.25 115.56 1tkv h VAL 80 Ca -0.02 -0.43 -0.14 0.00 -1.23 0.00 0.00 66.70 64.88 1tkv h VAL 80 Cb 0.56 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 1tkv h VAL 80 CO 0.03 0.00 -0.67 0.22 -1.23 0.00 0.00 177.57 175.91 1tkv h TYR 81 N 0.00 0.00 -0.70 5.19 3.20 -1.58 -1.94 116.97 121.14 1tkv h TYR 81 Ca 0.00 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.01 1tkv h TYR 81 Cb 0.54 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.70 1tkv h TYR 81 CO 0.00 0.67 0.18 0.00 -1.64 0.00 0.00 178.16 177.37 1tkv h ARG 82 N 0.00 0.28 0.56 1.82 2.47 -1.34 0.11 114.38 118.28 1tkv h ARG 82 Ca -0.01 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1tkv h ARG 82 Cb 1.32 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.59 1tkv h ARG 82 CO 0.09 0.18 -0.27 1.88 0.56 0.00 0.00 179.97 182.41 1tkv h TYR 83 N 0.29 -0.69 -0.54 3.04 -1.99 -1.52 -1.51 116.97 114.03 1tkv h TYR 83 Ca 0.39 -0.02 0.11 0.00 2.00 0.00 0.00 58.73 61.21 1tkv h TYR 83 Cb 0.63 0.23 -0.10 0.00 2.00 0.00 0.00 36.73 39.49 1tkv h TYR 83 CO -0.25 -0.43 -0.06 -0.07 -0.00 0.00 0.00 178.16 177.35 1tkv h LEU 84 N -1.07 -0.35 -0.36 3.88 3.38 -1.24 -2.27 115.31 117.28 1tkv h LEU 84 Ca -0.08 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1tkv h LEU 84 Cb 0.57 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1tkv h LEU 84 CO 0.13 -0.13 0.11 -0.08 0.09 0.00 0.00 178.44 178.56 1tkv h GLU 85 N 0.06 0.25 0.00 1.13 4.81 -0.76 -2.78 114.58 117.29 1tkv h GLU 85 Ca 0.27 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1tkv h GLU 85 Cb 0.43 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1tkv h GLU 85 CO -0.51 0.16 -0.02 0.00 -0.73 0.00 0.00 179.01 177.92 1tkv h MET 86 N 0.25 0.00 -0.00 1.92 -0.00 -1.09 -2.37 114.93 113.64 1tkv h MET 86 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.86 1tkv h MET 86 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1tkv h MET 86 CO -0.18 0.02 -0.24 0.66 -0.00 0.00 0.00 176.91 177.17 1tkv n TYR 87 N -3.11 0.00 -3.13 -0.10 4.01 -0.87 -3.49 117.16 110.48 1tkv n TYR 87 Ca 0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.50 1tkv n TYR 87 Cb 0.42 -0.33 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.38 2.21 -3.61 -0.72 5.66 -0.90 -3.99 114.28 111.56 1tkv n THR 88 Ca 0.08 -5.25 -0.36 0.00 -3.05 0.00 0.00 64.05 55.47 1tkv n THR 88 Cb 0.33 -1.49 -0.07 0.00 -1.55 0.00 0.00 70.33 67.54 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 -2.91 6.37 0.00 1.09 0.02 -1.21 -4.94 114.94 113.37 1tkv s ASN 89 Ca 0.44 0.42 0.00 0.00 -1.02 0.00 0.00 52.86 52.71 1tkv s ASN 89 Cb 0.24 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 39.37 1tkv s ASN 89 CO -0.09 0.14 0.47 0.29 0.02 0.00 0.00 177.10 177.93