#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 3.96 0.05 1.20 4.01 -1.26 -4.96 118.16 121.16 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 -0.09 0.00 -0.51 0.00 0.00 35.03 34.43 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 -0.14 -0.71 4.39 4.21 -1.95 -3.32 115.58 118.07 1tkv h ASN 4 Ca 0.00 -0.34 0.14 0.00 1.21 0.00 0.00 56.30 57.31 1tkv h ASN 4 Cb 0.00 0.04 -0.10 0.00 -1.12 0.00 0.00 38.32 37.14 1tkv h ASN 4 CO 0.00 0.29 0.22 -0.29 -1.29 0.00 0.00 177.43 176.37 1tkv h ILE 5 N -0.60 0.62 -0.83 2.81 2.10 -1.97 -2.60 117.51 117.04 1tkv h ILE 5 Ca -0.02 -0.12 0.13 0.00 1.08 0.00 0.00 64.86 65.93 1tkv h ILE 5 Cb 0.47 0.24 -0.09 0.00 -1.09 0.00 0.00 36.82 36.35 1tkv h ILE 5 CO 0.03 0.06 0.43 0.44 -1.08 0.00 0.00 178.15 178.03 1tkv h ASP 6 N 0.35 0.55 0.70 2.19 3.32 -1.96 -0.98 116.42 120.59 1tkv h ASP 6 Ca 0.39 0.08 -0.26 0.00 0.02 0.00 0.00 57.03 57.25 1tkv h ASP 6 Cb 0.60 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1tkv h ASP 6 CO -0.43 0.26 -1.33 0.74 -1.72 0.00 0.00 179.24 176.76 1tkv h THR 7 N 0.66 1.34 -0.95 0.35 2.02 -1.62 -2.76 112.91 111.95 1tkv h THR 7 Ca 0.43 -3.05 0.15 0.00 0.77 0.00 0.00 66.41 64.71 1tkv h THR 7 Cb 0.55 2.74 -0.08 0.00 -1.74 0.00 0.00 68.15 69.62 1tkv h THR 7 CO -0.33 0.82 0.60 0.58 0.37 0.00 0.00 175.52 177.56 1tkv h VAL 8 N 0.03 0.81 -0.11 3.16 2.07 -1.20 -1.00 116.25 120.00 1tkv h VAL 8 Ca -0.15 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1tkv h VAL 8 Cb 1.91 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1tkv h VAL 8 CO 0.13 0.14 -0.01 -0.09 0.02 0.00 0.00 177.57 177.76 1tkv h ARG 9 N 0.76 0.21 -0.44 1.57 1.12 -1.12 0.16 114.38 116.63 1tkv h ARG 9 Ca 0.49 -0.07 0.09 0.00 -1.11 0.00 0.00 59.98 59.38 1tkv h ARG 9 Cb 0.75 -0.02 -0.09 0.00 -0.01 0.00 0.00 29.97 30.60 1tkv h ARG 9 CO -0.26 0.47 -0.17 0.93 -3.11 0.00 0.00 179.97 177.83 1tkv h GLU 10 N -0.08 -0.08 0.00 0.20 5.08 -1.18 -2.97 114.58 115.55 1tkv h GLU 10 Ca 0.03 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1tkv h GLU 10 Cb 0.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1tkv h GLU 10 CO 0.01 -0.05 -0.32 0.82 -1.00 0.00 0.00 179.01 178.47 1tkv h ILE 11 N -0.08 0.60 0.33 3.13 2.04 -0.94 -3.05 117.51 119.54 1tkv h ILE 11 Ca 0.21 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1tkv h ILE 11 Cb 0.41 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 1tkv h ILE 11 CO -0.50 0.31 -0.41 0.40 0.00 0.00 0.00 178.15 177.95 1tkv h ILE 12 N 0.00 0.00 -0.67 -0.67 2.04 -0.52 0.54 117.51 118.24 1tkv h ILE 12 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1tkv h ILE 12 Cb 1.12 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1tkv h ILE 12 CO 0.04 0.00 0.44 0.71 0.00 0.00 0.00 178.15 179.34 1tkv h THR 13 N -0.76 1.11 -0.74 -0.27 1.35 -1.59 -0.79 112.91 111.22 1tkv h THR 13 Ca -0.04 -0.28 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1tkv h THR 13 Cb 0.68 0.22 -0.04 0.00 -1.73 0.00 0.00 68.15 67.28 1tkv h THR 13 CO -0.10 0.15 0.47 0.58 -0.25 0.00 0.00 175.52 176.37 1tkv h VAL 14 N 0.82 1.12 -0.20 6.82 2.07 -1.40 -1.52 116.25 123.95 1tkv h VAL 14 Ca 0.26 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 1tkv h VAL 14 Cb 0.03 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1tkv h VAL 14 CO -0.07 0.17 -0.65 0.00 0.02 0.00 0.00 177.57 177.04 1tkv h ALA 15 N 1.31 0.47 0.00 1.67 0.00 -0.04 -2.77 119.26 119.89 1tkv h ALA 15 Ca 0.29 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1tkv h ALA 15 Cb -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1tkv h ALA 15 CO -0.10 0.69 -0.05 0.66 0.00 0.00 0.00 179.25 180.45 1tkv h SER 16 N 0.54 0.00 -0.14 0.00 4.64 -1.01 -0.83 113.55 116.75 1tkv h SER 16 Ca -0.01 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1tkv h SER 16 Cb 1.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1tkv h SER 16 CO 0.13 0.05 -0.09 0.40 -0.87 0.00 0.00 176.83 176.46 1tkv h ILE 17 N 0.00 0.74 -0.67 0.95 1.08 -0.99 0.78 117.51 119.40 1tkv h ILE 17 Ca -0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1tkv h ILE 17 Cb 0.13 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 1tkv h ILE 17 CO 0.01 0.00 0.40 -0.07 -0.69 0.00 0.00 178.15 177.80 1tkv h LEU 18 N -0.08 0.64 -0.44 1.44 4.07 -1.08 -1.60 115.31 118.26 1tkv h LEU 18 Ca 0.08 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1tkv h LEU 18 Cb 0.21 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1tkv h LEU 18 CO -0.19 0.43 0.00 0.40 -1.08 0.00 0.00 178.44 178.00 1tkv h ILE 19 N 0.77 0.00 -0.51 1.22 2.04 -1.30 0.21 117.51 119.93 1tkv h ILE 19 Ca 0.28 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1tkv h ILE 19 Cb 0.08 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1tkv h ILE 19 CO -0.13 0.00 0.27 0.50 0.00 0.00 0.00 178.15 178.78 1tkv h LYS 20 N 0.00 0.73 -0.00 2.37 3.64 0.11 -2.10 116.57 121.32 1tkv h LYS 20 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1tkv h LYS 20 Cb 0.82 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1tkv h LYS 20 CO 0.00 0.59 -0.00 1.19 -2.27 0.00 0.00 179.45 178.96 1tkv n PHE 21 N -4.62 0.00 -3.81 1.91 3.72 -0.86 -4.95 117.46 108.85 1tkv n PHE 21 Ca 0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 1tkv n PHE 21 Cb 0.10 -0.13 0.02 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.13 -1.83 -3.20 4.37 2.88 -0.18 -4.95 113.62 109.58 1tkv n SER 22 Ca 0.20 -0.85 -0.34 0.00 -1.33 0.00 0.00 58.87 56.55 1tkv n SER 22 Cb 0.17 -3.79 -0.01 0.00 -0.75 0.00 0.00 64.21 59.83 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 -4.39 4.15 0.03 -1.46 5.12 0.58 -4.85 116.66 115.84 1tkv n ARG 23 Ca -0.22 -4.67 0.08 0.00 -1.93 0.00 0.00 57.85 51.11 1tkv n ARG 23 Cb 0.64 -2.34 0.34 0.00 -1.16 0.00 0.00 32.46 29.94 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 -0.21 0.05 -0.30 5.56 -0.00 -1.26 -2.66 120.64 121.82 1tkv n GLU 24 Ca 0.40 0.31 0.22 0.00 -0.00 0.00 0.00 57.16 58.09 1tkv n GLU 24 Cb 0.34 -1.59 0.51 0.00 -0.00 0.00 0.00 31.44 30.70 1tkv n GLU 24 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1tkv h ASP 25 N 0.00 0.42 0.46 -1.84 5.19 -1.96 -1.49 116.42 117.21 1tkv h ASP 25 Ca 0.00 0.06 -0.19 0.00 -0.62 0.00 0.00 57.03 56.28 1tkv h ASP 25 Cb 0.26 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1tkv h ASP 25 CO 0.00 0.12 -0.83 0.40 -3.12 0.00 0.00 179.24 175.81 1tkv h ILE 26 N 0.39 1.44 -0.08 0.35 2.04 -1.90 -3.29 117.51 116.47 1tkv h ILE 26 Ca 0.55 -2.43 -0.18 0.00 1.00 0.00 0.00 64.86 63.80 1tkv h ILE 26 Cb 1.40 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 1tkv h ILE 26 CO -0.24 0.72 -0.73 0.58 0.00 0.00 0.00 178.15 178.48 1tkv h VAL 27 N 0.17 1.38 0.00 1.67 2.07 -1.49 -3.33 116.25 116.72 1tkv h VAL 27 Ca -0.04 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.33 1tkv h VAL 27 Cb 1.44 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1tkv h VAL 27 CO 0.13 0.64 0.33 1.21 0.02 0.00 0.00 177.57 179.90 1tkv n GLU 28 N -3.84 0.06 -3.91 1.57 2.13 -0.67 -4.42 120.64 111.56 1tkv n GLU 28 Ca -0.04 0.49 -0.15 0.00 0.66 0.00 0.00 57.16 58.11 1tkv n GLU 28 Cb 0.70 -2.03 -0.15 0.00 0.27 0.00 0.00 31.44 30.23 1tkv n GLU 28 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1tkv s ASN 29 N -3.13 0.28 0.17 4.31 3.84 -1.25 -4.76 114.94 114.40 1tkv s ASN 29 Ca -0.01 -0.02 -0.15 0.00 0.21 0.00 0.00 52.86 52.90 1tkv s ASN 29 Cb 0.03 -0.12 0.13 0.00 -0.55 0.00 0.00 41.25 40.73 1tkv s ASN 29 CO 0.08 -0.06 1.72 0.08 -2.79 0.00 0.00 177.10 176.13 1tkv h ARG 30 N 6.87 0.19 0.16 0.43 0.11 -1.77 -2.20 114.38 118.17 1tkv h ARG 30 Ca -0.38 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.68 1tkv h ARG 30 Cb 1.15 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.19 1tkv h ARG 30 CO 0.49 0.13 -0.08 0.00 0.10 0.00 0.00 179.97 180.61 1tkv h ALA 31 N 1.33 -0.22 -0.74 0.08 0.00 -1.95 0.30 119.26 118.05 1tkv h ALA 31 Ca 0.21 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1tkv h ALA 31 Cb 0.26 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1tkv h ALA 31 CO -0.28 -0.60 0.50 -0.91 0.00 0.00 0.00 179.25 177.95 1tkv h ASN 32 N -0.25 0.37 -0.02 0.00 -0.26 -1.85 -0.69 115.58 112.88 1tkv h ASN 32 Ca -0.02 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1tkv h ASN 32 Cb 0.20 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1tkv h ASN 32 CO 0.04 0.19 -0.03 0.15 -1.06 0.00 0.00 177.43 176.72 1tkv h PHE 33 N 0.40 0.06 -0.88 1.19 3.57 -0.73 -1.38 116.94 119.17 1tkv h PHE 33 Ca 0.36 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 62.03 1tkv h PHE 33 Cb 0.85 -0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.47 1tkv h PHE 33 CO -0.00 0.59 0.43 0.82 -2.23 0.00 0.00 178.31 177.92 1tkv h ILE 34 N -0.48 0.61 0.42 1.41 2.04 -0.68 0.23 117.51 121.06 1tkv h ILE 34 Ca 0.00 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1tkv h ILE 34 Cb 0.58 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1tkv h ILE 34 CO 0.01 0.10 -0.20 0.00 0.00 0.00 0.00 178.15 178.05 1tkv h ALA 35 N 1.63 -0.57 -0.93 1.87 0.00 -1.10 -2.76 119.26 117.40 1tkv h ALA 35 Ca 0.52 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.52 1tkv h ALA 35 Cb 0.87 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1tkv h ALA 35 CO -0.44 -0.75 0.40 0.35 0.00 0.00 0.00 179.25 178.82 1tkv h PHE 36 N -0.72 0.65 -0.58 0.00 3.57 -0.66 -1.53 116.94 117.68 1tkv h PHE 36 Ca -0.06 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1tkv h PHE 36 Cb 0.51 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 1tkv h PHE 36 CO -0.01 -0.13 0.25 -0.07 -2.23 0.00 0.00 178.31 176.11 1tkv h LEU 37 N 0.33 0.30 -0.52 0.59 3.38 -0.29 -0.94 115.31 118.17 1tkv h LEU 37 Ca 0.61 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.58 1tkv h LEU 37 Cb 1.27 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1tkv h LEU 37 CO -0.59 0.19 -0.27 0.78 0.09 0.00 0.00 178.44 178.64 1tkv h ASN 38 N 0.46 0.00 -0.16 -0.43 2.35 -1.12 0.03 115.58 116.71 1tkv h ASN 38 Ca 0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1tkv h ASN 38 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1tkv h ASN 38 CO -0.25 0.27 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.45 1tkv h GLU 39 N 0.00 0.31 0.00 0.81 4.39 -0.62 -3.27 114.58 116.20 1tkv h GLU 39 Ca -0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1tkv h GLU 39 Cb 1.01 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1tkv h GLU 39 CO 0.03 0.56 -0.25 -0.84 -1.16 0.00 0.00 179.01 177.35 1tkv h ILE 40 N 0.03 0.00 0.00 3.13 3.07 -1.18 -3.48 117.51 119.08 1tkv h ILE 40 Ca 0.04 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 65.46 1tkv h ILE 40 Cb 0.44 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 1tkv h ILE 40 CO 0.01 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.72 1tkv n GLY 41 N 1.12 1.27 3.69 0.16 0.00 -0.38 -5.07 105.19 105.97 1tkv n GLY 41 Ca 0.03 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.39 0.21 1.61 1.01 -0.15 -4.99 120.40 120.48 1tkv s VAL 42 Ca 0.00 1.70 0.07 0.00 0.00 0.00 0.00 61.98 63.75 1tkv s VAL 42 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1tkv s VAL 42 CO 0.00 0.00 0.11 0.42 0.00 0.00 0.00 175.10 175.63 1tkv s THR 43 N 2.12 4.16 0.00 3.92 -4.23 -1.26 -4.56 115.64 115.79 1tkv s THR 43 Ca 0.54 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1tkv s THR 43 Cb -0.23 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1tkv s THR 43 CO 0.21 -0.23 0.00 1.57 -0.54 0.00 0.00 174.62 175.63 1tkv n HIS 44 N -0.66 0.00 -1.54 3.99 -0.00 -0.93 -4.66 115.22 111.42 1tkv n HIS 44 Ca -0.08 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.82 1tkv n HIS 44 Cb 0.56 0.00 -0.05 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 2.46 -0.90 1.57 1.02 -1.26 -4.57 120.64 118.95 1tkv n GLU 45 Ca 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 1tkv n GLU 45 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 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 0.75 0.93 3.49 0.62 0.00 -1.26 -5.00 105.19 104.71 1tkv n GLY 46 Ca 0.49 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.13 1.71 0.07 1.61 0.52 -1.26 -5.00 118.95 116.47 1tkv s ARG 47 Ca 0.00 -1.94 -0.31 0.00 -0.52 0.00 0.00 55.73 52.96 1tkv s ARG 47 Cb 0.00 -1.09 -0.07 0.00 0.52 0.00 0.00 34.95 34.31 1tkv s ARG 47 CO 0.00 -0.13 1.49 0.15 0.02 0.00 0.00 175.30 176.83 1tkv s LYS 48 N -3.83 4.26 -0.24 3.54 -0.14 -1.26 -2.20 119.74 119.88 1tkv s LYS 48 Ca 0.35 2.15 -0.24 0.00 -1.36 0.00 0.00 55.97 56.87 1tkv s LYS 48 Cb 0.08 -3.44 -0.01 0.00 -1.68 0.00 0.00 37.83 32.79 1tkv s LYS 48 CO 0.16 -0.59 0.79 -1.17 -0.76 0.00 0.00 175.35 173.79 1tkv s LEU 49 N 1.96 4.09 0.52 3.17 0.20 -1.26 -4.86 118.68 122.50 1tkv s LEU 49 Ca 0.68 0.99 0.09 0.00 0.69 0.00 0.00 54.13 56.58 1tkv s LEU 49 Cb -0.37 -3.13 0.06 0.00 -0.43 0.00 0.00 46.19 42.32 1tkv s LEU 49 CO 0.30 -0.48 0.72 0.20 -0.29 0.00 0.00 176.35 176.79 1tkv s ASN 50 N 1.34 5.30 -0.00 3.68 0.01 -1.26 -4.90 114.94 119.10 1tkv s ASN 50 Ca 0.34 -0.70 -0.22 0.00 -0.71 0.00 0.00 52.86 51.57 1tkv s ASN 50 Cb -0.15 -0.03 -0.19 0.00 0.41 0.00 0.00 41.25 41.28 1tkv s ASN 50 CO 0.08 -1.14 1.19 -0.61 -1.51 0.00 0.00 177.10 175.10 1tkv h GLN 51 N 0.34 0.28 -0.37 -0.60 4.15 -1.96 -1.01 115.11 115.94 1tkv h GLN 51 Ca -0.33 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 58.81 1tkv h GLN 51 Cb 1.29 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 1tkv h GLN 51 CO 0.42 0.85 -0.01 -2.95 -1.93 0.00 0.00 178.83 175.21 1tkv h ASN 52 N -0.23 0.65 1.30 -0.69 -1.07 -2.00 -3.05 115.58 110.47 1tkv h ASN 52 Ca -0.01 -0.31 0.00 0.00 0.07 0.00 0.00 56.30 56.04 1tkv h ASN 52 Cb 0.88 -0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.96 1tkv h ASN 52 CO 0.05 0.80 0.00 0.28 0.07 0.00 0.00 177.43 178.64 1tkv h SER 53 N 0.47 0.00 -0.13 6.14 0.02 -1.97 -2.41 113.55 115.68 1tkv h SER 53 Ca 0.10 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1tkv h SER 53 Cb 0.48 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1tkv h SER 53 CO 0.02 0.00 -0.16 0.15 -1.14 0.00 0.00 176.83 175.70 1tkv h PHE 54 N 0.00 0.40 -0.44 3.45 3.57 -1.15 -3.03 116.94 119.75 1tkv h PHE 54 Ca 0.00 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 1tkv h PHE 54 Cb 0.65 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1tkv h PHE 54 CO 0.00 0.76 0.11 0.00 -2.23 0.00 0.00 178.31 176.95 1tkv h ARG 55 N -0.07 0.65 0.00 1.11 3.08 -1.34 -1.97 114.38 115.84 1tkv h ARG 55 Ca 0.02 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1tkv h ARG 55 Cb 0.71 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1tkv h ARG 55 CO 0.04 0.59 -0.27 1.57 -1.07 0.00 0.00 179.97 180.83 1tkv h LYS 56 N 0.64 0.00 -0.23 0.04 5.09 -1.56 0.58 116.57 121.12 1tkv h LYS 56 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.83 1tkv h LYS 56 Cb 0.24 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.56 1tkv h LYS 56 CO -0.00 0.27 -0.09 -0.84 -2.09 0.00 0.00 179.45 176.69 1tkv h ILE 57 N 0.00 1.30 0.15 0.07 3.07 -1.24 -3.36 117.51 117.49 1tkv h ILE 57 Ca -0.00 -1.14 -0.25 0.00 1.55 0.00 0.00 64.86 65.02 1tkv h ILE 57 Cb 0.73 1.55 0.01 0.00 -0.27 0.00 0.00 36.82 38.84 1tkv h ILE 57 CO 0.03 0.35 -1.18 -0.37 -1.05 0.00 0.00 178.15 175.94 1tkv h VAL 58 N 0.20 1.26 0.04 0.16 -1.51 -1.29 -3.43 116.25 111.68 1tkv h VAL 58 Ca 0.06 -2.50 -0.00 0.00 -1.23 0.00 0.00 66.70 63.02 1tkv h VAL 58 Cb 0.58 2.97 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 1tkv h VAL 58 CO 0.03 0.73 -0.02 -1.28 -1.23 0.00 0.00 177.57 175.80 1tkv h SER 59 N -0.27 -0.05 0.00 4.19 0.87 -1.07 -3.37 113.55 113.86 1tkv h SER 59 Ca -0.23 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 1tkv h SER 59 Cb 1.77 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1tkv h SER 59 CO 0.13 0.65 0.00 -1.84 -0.53 0.00 0.00 176.83 175.24 1tkv n GLU 60 N -4.75 0.96 -1.57 2.24 0.28 -1.26 -4.92 120.64 111.62 1tkv n GLU 60 Ca -0.05 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.56 1tkv n GLU 60 Cb 0.23 -1.08 0.04 0.00 1.43 0.00 0.00 31.44 32.06 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 -0.41 2.74 -4.96 -1.84 4.77 -1.26 -5.01 117.00 111.03 1tkv n LEU 61 Ca 0.00 0.81 -0.24 0.00 -0.03 0.00 0.00 56.01 56.56 1tkv n LEU 61 Cb 0.04 -1.32 0.08 0.00 -2.33 0.00 0.00 43.42 39.89 1tkv n LEU 61 CO 0.00 -2.15 0.52 0.42 -1.33 0.00 0.00 177.39 174.85 1tkv s THR 62 N -1.54 2.35 0.18 -5.08 -4.23 -1.26 -4.93 115.64 101.13 1tkv s THR 62 Ca 0.72 -0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 60.60 1tkv s THR 62 Cb -0.44 -2.86 0.07 0.00 1.34 0.00 0.00 72.50 70.61 1tkv s THR 62 CO 0.50 0.00 1.81 1.56 -0.54 0.00 0.00 174.62 177.95 1tkv h GLN 63 N -0.40 0.59 -0.46 3.99 1.08 -1.99 -2.13 115.11 115.78 1tkv h GLN 63 Ca -0.41 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 56.73 1tkv h GLN 63 Cb 1.29 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1tkv h GLN 63 CO 0.50 0.39 0.20 0.93 -0.95 0.00 0.00 178.83 179.90 1tkv h GLU 64 N 0.61 0.66 -0.43 1.46 4.39 -1.97 0.29 114.58 119.59 1tkv h GLU 64 Ca 0.21 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1tkv h GLU 64 Cb 0.03 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1tkv h GLU 64 CO -0.10 0.53 0.05 -0.44 -1.16 0.00 0.00 179.01 177.89 1tkv h ASP 65 N 0.65 0.70 -0.05 1.42 3.32 -1.89 -0.17 116.42 120.40 1tkv h ASP 65 Ca 0.16 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1tkv h ASP 65 Cb 0.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1tkv h ASP 65 CO -0.02 0.80 -0.20 0.11 -1.72 0.00 0.00 179.24 178.21 1tkv h LYS 66 N 0.57 0.23 -0.96 3.56 1.57 -0.99 -2.35 116.57 118.19 1tkv h LYS 66 Ca 0.13 -0.17 0.19 0.00 -1.87 0.00 0.00 60.65 58.92 1tkv h LYS 66 Cb 0.41 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.67 1tkv h LYS 66 CO 0.01 0.81 0.61 0.87 -0.57 0.00 0.00 179.45 181.18 1tkv h LYS 67 N -0.30 0.64 -0.56 3.15 1.79 -0.49 0.13 116.57 120.92 1tkv h LYS 67 Ca -0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1tkv h LYS 67 Cb 0.84 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 1tkv h LYS 67 CO 0.04 0.42 0.36 1.15 -1.08 0.00 0.00 179.45 180.34 1tkv h THR 68 N 0.65 1.16 -0.27 -0.16 2.02 -0.66 0.48 112.91 116.14 1tkv h THR 68 Ca 0.53 -0.32 -0.18 0.00 0.77 0.00 0.00 66.41 67.21 1tkv h THR 68 Cb 0.95 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1tkv h THR 68 CO -0.29 0.16 -0.55 -0.07 0.37 0.00 0.00 175.52 175.15 1tkv h LEU 69 N 0.76 0.89 -0.38 2.58 3.38 -0.73 -2.59 115.31 119.22 1tkv h LEU 69 Ca 0.20 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1tkv h LEU 69 Cb -0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 1tkv h LEU 69 CO -0.04 1.26 0.11 0.40 0.09 0.00 0.00 178.44 180.26 1tkv h ILE 70 N 0.62 0.86 -0.88 1.22 2.04 -0.67 0.51 117.51 121.21 1tkv h ILE 70 Ca 0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1tkv h ILE 70 Cb 1.14 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1tkv h ILE 70 CO 0.12 0.05 0.49 0.44 0.00 0.00 0.00 178.15 179.25 1tkv h ASP 71 N 0.26 1.08 0.48 1.72 3.32 -0.78 -3.15 116.42 119.34 1tkv h ASP 71 Ca 0.18 -0.09 -0.29 0.00 0.02 0.00 0.00 57.03 56.85 1tkv h ASP 71 Cb 0.18 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1tkv h ASP 71 CO -0.20 0.86 -1.73 -0.62 -1.72 0.00 0.00 179.24 175.83 1tkv n GLU 72 N -4.37 0.63 -2.84 3.56 -0.58 -0.99 -4.57 120.64 111.48 1tkv n GLU 72 Ca 0.09 0.29 -0.24 0.00 -0.42 0.00 0.00 57.16 56.88 1tkv n GLU 72 Cb 0.09 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.15 1tkv n GLU 72 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1tkv n PHE 73 N -3.03 2.93 0.05 -0.32 3.01 0.16 -4.95 117.46 115.32 1tkv n PHE 73 Ca -0.17 -3.63 -0.14 0.00 1.01 0.00 0.00 57.45 54.51 1tkv n PHE 73 Cb 1.05 -0.36 -0.08 0.00 -0.01 0.00 0.00 39.48 40.08 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 2.89 -1.45 -0.25 4.37 2.35 -1.75 0.01 115.58 121.75 1tkv h ASN 74 Ca 0.15 0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 56.04 1tkv h ASN 74 Cb 0.75 0.56 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 1tkv h ASN 74 CO 0.74 -0.49 0.05 -0.33 -1.65 0.00 0.00 177.43 175.75 1tkv h GLU 75 N -0.62 0.41 0.00 0.81 4.39 -1.92 -3.02 114.58 114.63 1tkv h GLU 75 Ca 0.04 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1tkv h GLU 75 Cb 0.69 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1tkv h GLU 75 CO -0.34 0.52 -0.00 0.78 -1.16 0.00 0.00 179.01 178.81 1tkv h GLY 76 N 0.23 -0.00 1.79 -3.84 0.00 -1.94 -3.19 103.07 96.12 1tkv h GLY 76 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.22 1tkv h GLY 76 CO 0.00 -0.00 -0.85 -2.75 0.00 0.00 0.00 176.54 172.94 1tkv h PHE 77 N -0.86 0.28 -0.31 5.60 3.04 -1.14 0.33 116.94 123.87 1tkv h PHE 77 Ca -0.00 -0.15 0.07 0.00 3.98 0.00 0.00 57.97 61.87 1tkv h PHE 77 Cb 0.86 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 39.27 1tkv h PHE 77 CO 0.23 0.95 -0.13 0.93 -2.02 0.00 0.00 178.31 178.26 1tkv h GLU 78 N 0.11 -0.08 0.00 1.11 4.39 -1.65 0.20 114.58 118.67 1tkv h GLU 78 Ca -0.04 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1tkv h GLU 78 Cb 1.46 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1tkv h GLU 78 CO 0.13 -0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 1tkv n GLY 79 N -1.31 -2.41 0.27 -3.84 0.00 -1.07 -3.28 105.19 93.55 1tkv n GLY 79 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1tkv n GLY 79 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1tkv h VAL 80 N 0.00 0.22 0.00 1.61 -1.51 -0.34 -1.91 116.25 114.32 1tkv h VAL 80 Ca 0.00 -0.54 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1tkv h VAL 80 Cb 0.00 1.44 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1tkv h VAL 80 CO 0.00 0.06 -0.20 0.22 -1.23 0.00 0.00 177.57 176.43 1tkv h TYR 81 N 0.00 0.00 -0.62 5.19 3.20 -0.73 0.24 116.97 124.24 1tkv h TYR 81 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1tkv h TYR 81 Cb 0.44 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1tkv h TYR 81 CO 0.00 0.15 0.25 0.00 -1.64 0.00 0.00 178.16 176.92 1tkv h ARG 82 N 0.00 0.90 0.05 1.82 2.47 -1.33 -1.57 114.38 116.72 1tkv h ARG 82 Ca -0.00 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1tkv h ARG 82 Cb 1.12 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1tkv h ARG 82 CO 0.02 0.74 -0.02 1.88 0.56 0.00 0.00 179.97 183.14 1tkv h TYR 83 N 0.89 -0.06 -0.79 3.04 -1.99 -1.44 -1.64 116.97 114.98 1tkv h TYR 83 Ca 0.21 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.92 1tkv h TYR 83 Cb 0.17 0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.88 1tkv h TYR 83 CO 0.01 0.55 0.43 -0.07 -0.00 0.00 0.00 178.16 179.08 1tkv h LEU 84 N -0.79 0.99 -0.66 3.88 3.38 -0.61 -2.28 115.31 119.22 1tkv h LEU 84 Ca -0.01 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1tkv h LEU 84 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1tkv h LEU 84 CO 0.01 0.80 -0.41 -0.08 0.09 0.00 0.00 178.44 178.85 1tkv h GLU 85 N 1.09 0.57 0.00 1.13 4.81 -1.32 -2.94 114.58 117.92 1tkv h GLU 85 Ca 0.28 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1tkv h GLU 85 Cb 0.04 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1tkv h GLU 85 CO -0.04 0.88 -0.61 0.00 -0.73 0.00 0.00 179.01 178.51 1tkv h MET 86 N 0.46 0.00 -0.00 1.92 -0.00 -0.89 -0.87 114.93 115.56 1tkv h MET 86 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1tkv h MET 86 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.52 1tkv h MET 86 CO 0.08 0.61 -0.22 0.66 -0.00 0.00 0.00 176.91 178.04 1tkv n TYR 87 N -3.76 0.00 -2.87 -0.10 4.01 -0.89 -3.74 117.16 109.81 1tkv n TYR 87 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 1tkv n TYR 87 Cb 0.62 -0.28 0.03 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.25 0.23 -2.58 -0.72 5.66 -1.10 -3.65 114.28 110.87 1tkv n THR 88 Ca 0.09 -3.05 -0.43 0.00 -3.05 0.00 0.00 64.05 57.61 1tkv n THR 88 Cb 0.32 0.55 -0.02 0.00 -1.55 0.00 0.00 70.33 69.63 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 -2.21 6.88 0.00 1.09 0.02 -0.35 -4.87 114.94 115.50 1tkv s ASN 89 Ca 0.30 1.12 0.21 0.00 -1.02 0.00 0.00 52.86 53.47 1tkv s ASN 89 Cb 0.38 -2.54 1.28 0.00 0.02 0.00 0.00 41.25 40.39 1tkv s ASN 89 CO -0.04 -0.92 1.66 0.29 0.02 0.00 0.00 177.10 178.11