#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 3.68 -0.03 3.52 4.01 -1.26 -5.05 118.16 123.03 1tkv n LYS 3 Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.67 1tkv n LYS 3 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 1tkv n LYS 3 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1tkv h ASN 4 N 0.00 0.16 0.55 4.39 2.35 -1.99 -3.35 115.58 117.68 1tkv h ASN 4 Ca 0.00 -0.41 -0.06 0.00 -0.55 0.00 0.00 56.30 55.28 1tkv h ASN 4 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1tkv h ASN 4 CO 0.00 0.53 -0.30 -0.29 -1.65 0.00 0.00 177.43 175.72 1tkv h ILE 5 N -0.22 0.94 -0.77 2.81 2.10 -1.97 -2.86 117.51 117.54 1tkv h ILE 5 Ca 0.02 -1.17 -0.05 0.00 1.08 0.00 0.00 64.86 64.74 1tkv h ILE 5 Cb 0.47 1.68 -0.03 0.00 -1.09 0.00 0.00 36.82 37.85 1tkv h ILE 5 CO 0.01 0.30 0.30 0.44 -1.08 0.00 0.00 178.15 178.11 1tkv h ASP 6 N 0.00 1.07 0.08 2.19 5.19 -1.98 0.14 116.42 123.11 1tkv h ASP 6 Ca -0.00 -0.18 -0.23 0.00 -0.62 0.00 0.00 57.03 56.00 1tkv h ASP 6 Cb 0.66 -0.28 0.02 0.00 0.18 0.00 0.00 39.33 39.91 1tkv h ASP 6 CO 0.04 0.96 -0.95 0.74 -3.12 0.00 0.00 179.24 176.91 1tkv h THR 7 N 1.12 1.37 -0.84 0.35 2.02 -1.69 -2.40 112.91 112.85 1tkv h THR 7 Ca 0.25 -2.34 0.15 0.00 0.77 0.00 0.00 66.41 65.25 1tkv h THR 7 Cb 0.23 2.74 -0.10 0.00 -1.74 0.00 0.00 68.15 69.29 1tkv h THR 7 CO -0.02 0.69 0.41 0.58 0.37 0.00 0.00 175.52 177.56 1tkv h VAL 8 N 0.04 0.70 -0.01 3.16 2.07 -1.29 -0.47 116.25 120.46 1tkv h VAL 8 Ca -0.14 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1tkv h VAL 8 Cb 1.66 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1tkv h VAL 8 CO 0.18 0.11 -0.13 -0.09 0.02 0.00 0.00 177.57 177.66 1tkv h ARG 9 N 0.58 -0.20 -0.50 1.57 2.43 -0.72 0.21 114.38 117.74 1tkv h ARG 9 Ca 0.46 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.54 1tkv h ARG 9 Cb 0.68 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1tkv h ARG 9 CO -0.38 -0.14 -0.12 0.93 -1.51 0.00 0.00 179.97 178.76 1tkv h GLU 10 N -0.21 0.94 -0.22 0.20 5.08 -0.88 -2.78 114.58 116.70 1tkv h GLU 10 Ca 0.05 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 57.94 1tkv h GLU 10 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1tkv h GLU 10 CO -0.13 1.00 -0.41 0.82 -1.00 0.00 0.00 179.01 179.28 1tkv h ILE 11 N 0.84 1.30 -0.75 3.13 2.04 -0.87 -3.05 117.51 120.16 1tkv h ILE 11 Ca 0.13 -1.58 0.15 0.00 1.00 0.00 0.00 64.86 64.56 1tkv h ILE 11 Cb 0.65 1.59 -0.10 0.00 -0.74 0.00 0.00 36.82 38.22 1tkv h ILE 11 CO 0.05 0.49 0.26 0.40 0.00 0.00 0.00 178.15 179.35 1tkv h ILE 12 N 0.43 0.61 -0.17 -0.67 2.04 -0.39 0.13 117.51 119.49 1tkv h ILE 12 Ca 0.04 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1tkv h ILE 12 Cb 0.91 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1tkv h ILE 12 CO 0.08 0.07 -0.00 0.71 0.00 0.00 0.00 178.15 179.00 1tkv h THR 13 N 0.38 1.26 -0.38 -0.27 1.35 -1.39 -1.57 112.91 112.28 1tkv h THR 13 Ca 0.42 -0.86 0.08 0.00 -0.55 0.00 0.00 66.41 65.49 1tkv h THR 13 Cb 0.66 1.50 -0.07 0.00 -1.73 0.00 0.00 68.15 68.50 1tkv h THR 13 CO -0.44 0.26 -0.09 0.58 -0.25 0.00 0.00 175.52 175.58 1tkv h VAL 14 N 0.04 0.62 -0.03 6.82 2.07 -1.41 -1.12 116.25 123.24 1tkv h VAL 14 Ca 0.05 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1tkv h VAL 14 Cb 0.39 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1tkv h VAL 14 CO 0.01 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.19 1tkv h ALA 15 N 1.38 1.27 0.00 1.67 0.00 -0.65 -1.71 119.26 121.23 1tkv h ALA 15 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1tkv h ALA 15 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tkv h ALA 15 CO -0.39 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 1tkv n SER 16 N -4.05 0.25 -0.01 0.00 3.41 -0.60 -2.19 113.62 110.43 1tkv n SER 16 Ca -0.02 0.53 -0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1tkv n SER 16 Cb 0.45 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 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 1.23 -0.34 -1.33 1.08 -0.29 -0.31 117.51 117.55 1tkv h ILE 17 Ca 0.00 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1tkv h ILE 17 Cb 0.49 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1tkv h ILE 17 CO 0.00 0.19 0.17 -0.07 -0.69 0.00 0.00 178.15 177.76 1tkv h LEU 18 N -0.17 0.42 0.00 1.44 3.38 -1.16 -1.41 115.31 117.81 1tkv h LEU 18 Ca 0.02 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1tkv h LEU 18 Cb 0.31 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1tkv h LEU 18 CO 0.00 0.35 -0.65 0.40 0.09 0.00 0.00 178.44 178.64 1tkv h ILE 19 N 0.48 0.97 -0.61 1.22 2.04 -1.36 0.59 117.51 120.83 1tkv h ILE 19 Ca 0.12 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1tkv h ILE 19 Cb 0.04 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1tkv h ILE 19 CO -0.02 0.55 0.38 0.50 0.00 0.00 0.00 178.15 179.57 1tkv h LYS 20 N 0.00 0.81 -0.01 2.37 3.64 -0.16 -2.43 116.57 120.79 1tkv h LYS 20 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1tkv h LYS 20 Cb 1.46 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1tkv h LYS 20 CO 0.07 0.57 -0.27 1.19 -2.27 0.00 0.00 179.45 178.74 1tkv n PHE 21 N -4.63 0.00 -3.47 1.91 3.72 -0.61 -4.97 117.46 109.40 1tkv n PHE 21 Ca 0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.27 1tkv n PHE 21 Cb 0.04 -0.16 0.08 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.85 -2.16 -2.55 4.37 2.88 0.07 -4.97 113.62 110.41 1tkv n SER 22 Ca 0.11 -0.64 -0.33 0.00 -1.33 0.00 0.00 58.87 56.68 1tkv n SER 22 Cb 0.34 -5.01 0.03 0.00 -0.75 0.00 0.00 64.21 58.82 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 -4.19 3.05 0.22 -1.46 5.12 0.18 -4.87 116.66 114.72 1tkv n ARG 23 Ca -0.28 -3.84 0.15 0.00 -1.93 0.00 0.00 57.85 51.96 1tkv n ARG 23 Cb 0.67 -2.27 0.74 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 2.56 0.00 -1.03 5.56 -0.00 -1.94 -2.90 114.58 116.83 1tkv h GLU 24 Ca 0.48 0.00 0.29 0.00 -0.00 0.00 0.00 59.36 60.13 1tkv h GLU 24 Cb 0.65 0.00 -0.13 0.00 -0.00 0.00 0.00 28.75 29.27 1tkv h GLU 24 CO 1.21 0.00 0.62 -0.44 -0.00 0.00 0.00 179.01 180.40 1tkv h ASP 25 N 0.00 0.55 -0.53 3.06 5.19 -1.95 -1.67 116.42 121.07 1tkv h ASP 25 Ca 0.00 0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 1tkv h ASP 25 Cb 0.19 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1tkv h ASP 25 CO 0.00 -0.00 0.16 0.40 -3.12 0.00 0.00 179.24 176.67 1tkv h ILE 26 N 0.42 1.23 -0.21 0.35 2.04 -1.92 -3.28 117.51 116.15 1tkv h ILE 26 Ca 0.68 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1tkv h ILE 26 Cb 1.54 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1tkv h ILE 26 CO -0.48 0.29 -0.29 0.58 0.00 0.00 0.00 178.15 178.26 1tkv h VAL 27 N 0.73 1.27 -0.00 1.67 2.07 -1.51 -3.30 116.25 117.18 1tkv h VAL 27 Ca 0.17 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1tkv h VAL 27 Cb 0.29 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1tkv h VAL 27 CO -0.00 0.41 0.03 1.05 0.02 0.00 0.00 177.57 179.07 1tkv h GLU 28 N 0.36 0.00 -4.69 1.57 4.11 -1.51 -3.41 114.58 111.02 1tkv h GLU 28 Ca 0.05 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.10 1tkv h GLU 28 Cb 0.69 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.66 1tkv h GLU 28 CO 0.05 0.00 -0.78 1.21 0.07 0.00 0.00 179.01 179.57 1tkv s ASN 29 N -5.20 1.01 0.22 3.06 3.84 -1.26 -4.65 114.94 111.97 1tkv s ASN 29 Ca -0.05 -0.17 -0.13 0.00 0.21 0.00 0.00 52.86 52.72 1tkv s ASN 29 Cb 0.13 -0.11 0.28 0.00 -0.55 0.00 0.00 41.25 41.00 1tkv s ASN 29 CO 0.41 0.10 1.42 -2.11 -2.79 0.00 0.00 177.10 174.13 1tkv n ARG 30 N 2.82 -0.17 0.19 0.43 1.85 -1.00 -2.31 116.66 118.46 1tkv n ARG 30 Ca -0.14 1.41 0.08 0.00 -1.00 0.00 0.00 57.85 58.20 1tkv n ARG 30 Cb 0.57 -2.10 0.15 0.00 -1.05 0.00 0.00 32.46 30.03 1tkv n ARG 30 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tkv h ALA 31 N 1.43 0.85 -0.11 2.89 0.00 -1.95 0.37 119.26 122.74 1tkv h ALA 31 Ca 0.35 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 1tkv h ALA 31 Cb 0.58 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1tkv h ALA 31 CO -0.92 0.31 -0.81 -0.91 0.00 0.00 0.00 179.25 176.92 1tkv h ASN 32 N 0.00 0.81 0.53 0.00 -0.26 -1.74 -2.23 115.58 112.70 1tkv h ASN 32 Ca -0.00 -0.55 -0.02 0.00 -0.56 0.00 0.00 56.30 55.16 1tkv h ASN 32 Cb 1.14 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.15 1tkv h ASN 32 CO 0.03 1.34 -0.37 0.15 -1.06 0.00 0.00 177.43 177.53 1tkv h PHE 33 N 0.45 -0.99 -0.98 1.19 3.57 -1.28 -1.48 116.94 117.41 1tkv h PHE 33 Ca -0.06 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.74 1tkv h PHE 33 Cb 1.43 0.36 -0.18 0.00 2.79 0.00 0.00 35.95 40.35 1tkv h PHE 33 CO 0.08 -0.53 0.18 0.82 -2.23 0.00 0.00 178.31 176.63 1tkv h ILE 34 N -0.85 0.04 -0.45 1.41 2.04 -1.00 0.53 117.51 119.23 1tkv h ILE 34 Ca -0.07 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1tkv h ILE 34 Cb 0.70 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1tkv h ILE 34 CO 0.05 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.25 1tkv h ALA 35 N 1.97 0.61 -0.45 1.87 0.00 -1.36 -2.47 119.26 119.43 1tkv h ALA 35 Ca 0.66 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.39 1tkv h ALA 35 Cb 1.49 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1tkv h ALA 35 CO -0.86 0.35 0.14 0.35 0.00 0.00 0.00 179.25 179.23 1tkv h PHE 36 N 0.63 0.24 -0.73 0.00 3.57 -0.11 -2.50 116.94 118.03 1tkv h PHE 36 Ca 0.14 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.80 1tkv h PHE 36 Cb 0.42 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.03 1tkv h PHE 36 CO 0.03 0.07 0.28 -0.07 -2.23 0.00 0.00 178.31 176.39 1tkv h LEU 37 N 0.29 0.24 -1.39 0.59 3.38 0.30 -1.02 115.31 117.70 1tkv h LEU 37 Ca 0.21 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 1tkv h LEU 37 Cb 0.23 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1tkv h LEU 37 CO -0.24 0.09 -0.30 0.78 0.09 0.00 0.00 178.44 178.86 1tkv h ASN 38 N 0.42 0.00 0.18 -0.43 2.35 -1.08 -1.00 115.58 116.02 1tkv h ASN 38 Ca 0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1tkv h ASN 38 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1tkv h ASN 38 CO -0.40 0.30 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.26 1tkv h GLU 39 N 0.00 -0.23 0.00 0.81 4.39 -0.81 -3.34 114.58 115.40 1tkv h GLU 39 Ca -0.00 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1tkv h GLU 39 Cb 0.58 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1tkv h GLU 39 CO 0.04 0.18 -0.09 -0.84 -1.16 0.00 0.00 179.01 177.13 1tkv h ILE 40 N -0.87 0.17 -0.47 3.13 3.07 -1.28 -3.48 117.51 117.78 1tkv h ILE 40 Ca -0.02 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.27 1tkv h ILE 40 Cb 0.52 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 1tkv h ILE 40 CO 0.04 0.09 0.00 0.61 -1.05 0.00 0.00 178.15 177.84 1tkv n GLY 41 N 0.88 0.69 3.62 0.16 0.00 -0.53 -5.07 105.19 104.94 1tkv n GLY 41 Ca 0.03 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.88 4.91 0.10 1.61 1.01 -0.50 -5.04 120.40 120.61 1tkv s VAL 42 Ca 0.00 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.14 1tkv s VAL 42 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1tkv s VAL 42 CO 0.00 -0.11 -0.09 0.42 0.00 0.00 0.00 175.10 175.32 1tkv s THR 43 N 2.68 3.43 0.00 3.92 -4.23 -1.26 -4.38 115.64 115.80 1tkv s THR 43 Ca 0.28 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1tkv s THR 43 Cb -0.15 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1tkv s THR 43 CO 0.10 0.12 0.00 1.57 -0.54 0.00 0.00 174.62 175.88 1tkv n HIS 44 N 0.72 0.00 1.39 3.99 -0.00 -0.75 -4.48 115.22 116.09 1tkv n HIS 44 Ca -0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.05 1tkv n HIS 44 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 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 0.92 -0.28 1.57 4.71 -1.26 -4.65 120.64 121.65 1tkv n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1tkv n GLU 45 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 1tkv n GLU 45 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tkv n GLY 46 N 0.23 0.73 3.84 0.62 0.00 -1.26 -5.05 105.19 104.31 1tkv n GLY 46 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.72 3.76 0.32 1.61 1.81 -1.26 -5.02 118.95 119.46 1tkv s ARG 47 Ca 0.00 0.15 -0.27 0.00 -1.72 0.00 0.00 55.73 53.89 1tkv s ARG 47 Cb 0.00 -3.23 -0.10 0.00 -0.45 0.00 0.00 34.95 31.17 1tkv s ARG 47 CO 0.00 0.67 0.98 0.15 -0.68 0.00 0.00 175.30 176.42 1tkv s LYS 48 N -0.86 4.55 -0.13 3.54 1.02 -1.26 -1.82 119.74 124.78 1tkv s LYS 48 Ca 0.19 1.44 -0.20 0.00 0.02 0.00 0.00 55.97 57.43 1tkv s LYS 48 Cb -0.14 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1tkv s LYS 48 CO 0.08 0.22 0.56 -1.17 -0.92 0.00 0.00 175.35 174.12 1tkv s LEU 49 N -1.98 4.25 0.17 3.17 0.20 -1.26 -4.89 118.68 118.34 1tkv s LEU 49 Ca 0.50 0.90 0.01 0.00 0.69 0.00 0.00 54.13 56.22 1tkv s LEU 49 Cb -0.22 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 42.68 1tkv s LEU 49 CO 0.28 -0.09 0.33 0.20 -0.29 0.00 0.00 176.35 176.78 1tkv s ASN 50 N 0.81 6.36 0.32 3.68 -0.87 -1.26 -4.87 114.94 119.11 1tkv s ASN 50 Ca 0.29 0.27 0.05 0.00 -1.57 0.00 0.00 52.86 51.90 1tkv s ASN 50 Cb -0.16 -1.95 0.55 0.00 -0.02 0.00 0.00 41.25 39.67 1tkv s ASN 50 CO 0.12 0.02 1.80 1.56 -2.57 0.00 0.00 177.10 178.03 1tkv h GLN 51 N 2.12 0.41 0.36 -0.60 4.20 -1.96 0.16 115.11 119.80 1tkv h GLN 51 Ca -0.48 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.09 1tkv h GLN 51 Cb 1.19 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1tkv h GLN 51 CO 0.69 0.58 -0.17 -2.95 -0.67 0.00 0.00 178.83 176.30 1tkv h ASN 52 N 0.37 -0.41 0.55 1.46 -1.07 -2.00 -3.15 115.58 111.33 1tkv h ASN 52 Ca 0.07 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.31 1tkv h ASN 52 Cb 0.53 0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1tkv h ASN 52 CO 0.03 0.03 0.00 -1.20 0.07 0.00 0.00 177.43 176.37 1tkv n SER 53 N -5.12 0.09 0.37 6.14 7.64 -1.15 -1.60 113.62 119.99 1tkv n SER 53 Ca -0.08 0.52 -0.17 0.00 1.01 0.00 0.00 58.87 60.15 1tkv n SER 53 Cb 0.26 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 62.84 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 0.00 -0.86 0.00 1.43 3.57 -0.77 -3.04 116.94 117.26 1tkv h PHE 54 Ca 0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1tkv h PHE 54 Cb 0.28 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1tkv h PHE 54 CO 0.00 -0.51 -0.16 0.00 -2.23 0.00 0.00 178.31 175.41 1tkv h ARG 55 N -1.05 0.00 -0.10 1.11 3.08 -1.25 -1.38 114.38 114.79 1tkv h ARG 55 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1tkv h ARG 55 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1tkv h ARG 55 CO 0.16 0.16 0.04 1.57 -1.07 0.00 0.00 179.97 180.82 1tkv h LYS 56 N 0.00 0.16 -0.58 0.04 2.10 -1.61 -2.73 116.57 113.95 1tkv h LYS 56 Ca -0.00 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1tkv h LYS 56 Cb 0.41 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.68 1tkv h LYS 56 CO 0.02 0.28 0.38 -0.84 -2.00 0.00 0.00 179.45 177.29 1tkv h ILE 57 N 0.00 1.13 -0.17 0.07 3.07 -1.14 0.28 117.51 120.75 1tkv h ILE 57 Ca 0.03 -0.26 -0.21 0.00 1.55 0.00 0.00 64.86 65.98 1tkv h ILE 57 Cb 0.18 0.30 0.00 0.00 -0.27 0.00 0.00 36.82 37.04 1tkv h ILE 57 CO -0.00 0.14 -0.71 -0.37 -1.05 0.00 0.00 178.15 176.15 1tkv h VAL 58 N 0.76 1.30 0.00 0.16 -1.51 -1.59 -3.38 116.25 111.99 1tkv h VAL 58 Ca 0.22 -1.94 -0.20 0.00 -1.23 0.00 0.00 66.70 63.54 1tkv h VAL 58 Cb -0.06 1.92 -0.04 0.00 -2.13 0.00 0.00 31.29 30.98 1tkv h VAL 58 CO -0.06 0.61 -1.63 -1.20 -1.23 0.00 0.00 177.57 174.07 1tkv n SER 59 N -3.93 0.70 -0.15 4.19 7.64 -1.03 -4.34 113.62 116.69 1tkv n SER 59 Ca -0.06 0.31 0.14 0.00 1.01 0.00 0.00 58.87 60.27 1tkv n SER 59 Cb 0.71 0.34 0.74 0.00 -1.01 0.00 0.00 64.21 64.99 1tkv n SER 59 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1tkv n GLU 60 N -2.86 1.21 -1.55 1.43 0.28 0.98 -4.91 120.64 115.23 1tkv n GLU 60 Ca -0.14 -0.31 -0.44 0.00 -0.16 0.00 0.00 57.16 56.12 1tkv n GLU 60 Cb 0.90 -1.45 -0.01 0.00 1.43 0.00 0.00 31.44 32.31 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 -0.59 1.23 -4.90 -1.84 4.77 -1.26 -5.01 117.00 109.39 1tkv n LEU 61 Ca 0.21 1.11 -0.28 0.00 -0.03 0.00 0.00 56.01 57.01 1tkv n LEU 61 Cb 0.18 -1.23 0.08 0.00 -2.33 0.00 0.00 43.42 40.12 1tkv n LEU 61 CO 0.16 -1.86 0.74 0.42 -1.33 0.00 0.00 177.39 175.53 1tkv s THR 62 N -1.15 2.31 0.26 -5.08 -4.23 -1.26 -4.93 115.64 101.56 1tkv s THR 62 Ca 0.61 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.16 1tkv s THR 62 Cb -0.69 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.09 1tkv s THR 62 CO 0.59 -0.10 1.65 1.56 -0.54 0.00 0.00 174.62 177.78 1tkv h GLN 63 N -0.88 0.38 -0.44 3.99 4.20 -1.99 -2.43 115.11 117.94 1tkv h GLN 63 Ca -0.46 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.05 1tkv h GLN 63 Cb 1.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1tkv h GLN 63 CO 0.64 0.73 0.19 0.93 -0.67 0.00 0.00 178.83 180.65 1tkv h GLU 64 N 0.32 0.61 -0.64 1.46 4.39 -1.97 0.73 114.58 119.48 1tkv h GLU 64 Ca 0.03 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1tkv h GLU 64 Cb 0.86 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1tkv h GLU 64 CO 0.07 0.50 0.09 -0.44 -1.16 0.00 0.00 179.01 178.07 1tkv h ASP 65 N 0.61 1.01 -0.04 1.42 3.32 -1.82 0.11 116.42 121.03 1tkv h ASP 65 Ca 0.15 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1tkv h ASP 65 Cb 0.10 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1tkv h ASP 65 CO -0.02 1.01 -0.29 0.11 -1.72 0.00 0.00 179.24 178.33 1tkv h LYS 66 N 0.99 0.27 -0.97 3.56 1.57 -1.06 -2.46 116.57 118.47 1tkv h LYS 66 Ca 0.19 -0.24 0.14 0.00 -1.87 0.00 0.00 60.65 58.88 1tkv h LYS 66 Cb 0.44 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 1tkv h LYS 66 CO 0.01 0.90 0.61 -0.22 -0.57 0.00 0.00 179.45 180.19 1tkv h LYS 67 N -0.28 0.83 -0.86 3.15 1.63 -0.89 -1.62 116.57 118.52 1tkv h LYS 67 Ca -0.02 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 1tkv h LYS 67 Cb 0.97 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.37 1tkv h LYS 67 CO 0.06 0.55 0.44 1.15 -3.45 0.00 0.00 179.45 178.19 1tkv h THR 68 N 0.85 1.26 -0.58 1.00 2.02 -0.78 -0.38 112.91 116.29 1tkv h THR 68 Ca 0.50 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1tkv h THR 68 Cb 0.64 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1tkv h THR 68 CO -0.26 0.31 -0.03 -0.07 0.37 0.00 0.00 175.52 175.83 1tkv h LEU 69 N 1.22 1.03 -1.25 2.58 3.38 -0.97 -1.58 115.31 119.73 1tkv h LEU 69 Ca 0.30 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tkv h LEU 69 Cb 0.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1tkv h LEU 69 CO -0.04 1.10 0.48 0.40 0.09 0.00 0.00 178.44 180.47 1tkv h ILE 70 N 0.94 1.19 -0.25 1.22 2.04 -0.86 0.11 117.51 121.91 1tkv h ILE 70 Ca 0.16 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.48 1tkv h ILE 70 Cb 0.59 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1tkv h ILE 70 CO 0.04 0.19 -0.54 0.44 0.00 0.00 0.00 178.15 178.28 1tkv h ASP 71 N 1.01 0.81 0.22 1.72 3.32 -0.86 -3.26 116.42 119.37 1tkv h ASP 71 Ca 0.27 -0.43 -0.34 0.00 0.02 0.00 0.00 57.03 56.55 1tkv h ASP 71 Cb -0.10 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 39.24 1tkv h ASP 71 CO -0.06 1.19 -1.58 -0.33 -1.72 0.00 0.00 179.24 176.75 1tkv h GLU 72 N 0.56 0.46 -2.16 3.56 5.08 -1.07 -3.41 114.58 117.59 1tkv h GLU 72 Ca 0.01 -0.78 -0.58 0.00 -1.00 0.00 0.00 59.36 57.01 1tkv h GLU 72 Cb 1.12 0.29 -0.41 0.00 0.50 0.00 0.00 28.75 30.25 1tkv h GLU 72 CO 0.11 1.37 -0.75 1.19 -1.00 0.00 0.00 179.01 179.94 1tkv n PHE 73 N -3.69 2.72 0.33 4.33 3.01 0.37 -5.00 117.46 119.53 1tkv n PHE 73 Ca -0.21 -3.98 -0.13 0.00 1.01 0.00 0.00 57.45 54.14 1tkv n PHE 73 Cb 1.07 -0.49 -0.06 0.00 -0.01 0.00 0.00 39.48 39.99 1tkv n PHE 73 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1tkv h ASN 74 N 3.76 -0.72 -0.16 4.37 4.21 -1.75 0.64 115.58 125.93 1tkv h ASN 74 Ca 0.15 0.03 -0.19 0.00 1.21 0.00 0.00 56.30 57.50 1tkv h ASN 74 Cb 0.69 0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.08 1tkv h ASN 74 CO 0.74 -0.51 -0.61 -0.33 -1.29 0.00 0.00 177.43 175.42 1tkv h GLU 75 N -0.84 0.77 0.96 0.81 5.08 -1.94 -3.12 114.58 116.29 1tkv h GLU 75 Ca -0.09 -0.52 -0.05 0.00 -1.00 0.00 0.00 59.36 57.70 1tkv h GLU 75 Cb 0.65 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1tkv h GLU 75 CO 0.14 1.15 -0.46 0.78 -1.00 0.00 0.00 179.01 179.62 1tkv h GLY 76 N 0.78 -1.34 1.78 -3.84 0.00 -1.94 -2.97 103.07 95.53 1tkv h GLY 76 Ca -0.00 0.50 -0.16 0.00 0.00 0.00 0.00 47.33 47.67 1tkv h GLY 76 CO 0.13 -0.49 -0.66 -2.75 0.00 0.00 0.00 176.54 172.77 1tkv h PHE 77 N -1.35 0.29 -0.28 5.60 3.04 -1.02 0.99 116.94 124.22 1tkv h PHE 77 Ca -0.13 -0.12 0.05 0.00 3.98 0.00 0.00 57.97 61.75 1tkv h PHE 77 Cb 0.99 -0.05 -0.08 0.00 2.56 0.00 0.00 35.95 39.37 1tkv h PHE 77 CO 0.00 0.81 -0.44 1.49 -2.02 0.00 0.00 178.31 178.15 1tkv h GLU 78 N 0.16 -0.40 0.43 1.11 4.81 -1.58 0.06 114.58 119.16 1tkv h GLU 78 Ca -0.01 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1tkv h GLU 78 Cb 1.18 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1tkv h GLU 78 CO 0.10 -0.27 -0.20 0.78 -0.73 0.00 0.00 179.01 178.69 1tkv h GLY 79 N -0.41 -0.60 2.00 1.92 0.00 -1.40 -3.17 103.07 101.41 1tkv h GLY 79 Ca 0.10 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1tkv h GLY 79 CO -0.50 -0.22 -0.01 -0.39 0.00 0.00 0.00 176.54 175.43 1tkv h VAL 80 N -0.71 0.02 0.00 4.60 -1.51 -0.81 -1.44 116.25 116.40 1tkv h VAL 80 Ca -0.06 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1tkv h VAL 80 Cb 0.44 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1tkv h VAL 80 CO 0.10 0.01 -0.40 0.00 -1.23 0.00 0.00 177.57 176.04 1tkv n TYR 81 N -3.10 0.13 -0.26 5.19 9.36 0.00 -0.82 117.16 127.66 1tkv n TYR 81 Ca 0.01 0.04 -0.07 0.00 3.32 0.00 0.00 57.90 61.19 1tkv n TYR 81 Cb 0.32 -0.40 0.05 0.00 -0.63 0.00 0.00 39.34 38.68 1tkv n TYR 81 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1tkv h ARG 82 N 0.00 1.15 0.18 2.98 2.47 -1.23 -2.72 114.38 117.22 1tkv h ARG 82 Ca 0.00 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 1tkv h ARG 82 Cb 0.55 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1tkv h ARG 82 CO 0.00 1.00 -0.09 1.88 0.56 0.00 0.00 179.97 183.32 1tkv h TYR 83 N 1.09 -0.23 0.11 3.04 -1.99 -1.46 -2.61 116.97 114.92 1tkv h TYR 83 Ca 0.23 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1tkv h TYR 83 Cb 0.36 0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1tkv h TYR 83 CO 0.03 0.16 -0.11 -0.07 -0.00 0.00 0.00 178.16 178.17 1tkv h LEU 84 N -0.71 -0.29 -1.35 3.88 3.38 -1.08 -2.47 115.31 116.68 1tkv h LEU 84 Ca -0.03 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1tkv h LEU 84 Cb 0.50 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1tkv h LEU 84 CO 0.04 -0.17 0.52 -0.08 0.09 0.00 0.00 178.44 178.84 1tkv h GLU 85 N -0.25 0.70 0.00 1.13 4.81 -1.50 -2.35 114.58 117.13 1tkv h GLU 85 Ca 0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1tkv h GLU 85 Cb 0.23 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1tkv h GLU 85 CO -0.03 0.46 -0.45 0.00 -0.73 0.00 0.00 179.01 178.27 1tkv h MET 86 N 0.72 0.00 -0.20 1.92 -0.00 -1.20 -3.26 114.93 112.92 1tkv h MET 86 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.07 1tkv h MET 86 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 1tkv h MET 86 CO -0.14 0.17 0.00 0.66 -0.00 0.00 0.00 176.91 177.60 1tkv n TYR 87 N -3.04 0.25 -3.06 -0.10 4.01 -0.89 -3.98 117.16 110.35 1tkv n TYR 87 Ca 0.01 -0.13 -0.19 0.00 -0.16 0.00 0.00 57.90 57.44 1tkv n TYR 87 Cb 0.62 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.44 -0.48 -4.63 -0.72 5.66 -1.18 -2.37 114.28 111.01 1tkv n THR 88 Ca 0.16 -3.24 -0.33 0.00 -3.05 0.00 0.00 64.05 57.58 1tkv n THR 88 Cb 0.35 -0.90 -0.13 0.00 -1.55 0.00 0.00 70.33 68.10 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 -1.34 4.34 0.00 1.09 0.02 -1.26 -4.96 114.94 112.83 1tkv s ASN 89 Ca 0.34 -0.24 0.15 0.00 -1.02 0.00 0.00 52.86 52.09 1tkv s ASN 89 Cb 0.19 -1.67 0.12 0.00 0.02 0.00 0.00 41.25 39.91 1tkv s ASN 89 CO -0.15 0.17 0.98 0.29 0.02 0.00 0.00 177.10 178.41