#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 2.08 0.01 3.52 -2.85 -1.26 -4.86 119.74 116.38 1tkv s LYS 3 Ca 0.00 -2.02 -0.23 0.00 -1.00 0.00 0.00 55.97 52.72 1tkv s LYS 3 Cb 0.00 -1.77 -0.17 0.00 -2.06 0.00 0.00 37.83 33.83 1tkv s LYS 3 CO 0.00 -0.10 1.30 -0.91 0.10 0.00 0.00 175.35 175.74 1tkv h ASN 4 N 1.60 0.23 -0.16 0.03 4.21 -1.99 -3.18 115.58 116.32 1tkv h ASN 4 Ca -0.43 -0.49 -0.02 0.00 1.21 0.00 0.00 56.30 56.56 1tkv h ASN 4 Cb 1.25 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.38 1tkv h ASN 4 CO 0.76 0.68 0.02 -0.29 -1.29 0.00 0.00 177.43 177.31 1tkv h ILE 5 N -0.21 1.22 -0.79 2.81 2.10 -1.96 0.52 117.51 121.21 1tkv h ILE 5 Ca 0.01 -0.72 0.19 0.00 1.08 0.00 0.00 64.86 65.42 1tkv h ILE 5 Cb 0.62 1.40 -0.13 0.00 -1.09 0.00 0.00 36.82 37.62 1tkv h ILE 5 CO 0.02 0.22 0.15 0.44 -1.08 0.00 0.00 178.15 177.90 1tkv h ASP 6 N 0.04 -0.09 1.10 2.19 3.32 -2.00 0.35 116.42 121.33 1tkv h ASP 6 Ca 0.05 0.18 -0.18 0.00 0.02 0.00 0.00 57.03 57.09 1tkv h ASP 6 Cb 0.31 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1tkv h ASP 6 CO 0.00 -0.11 -0.86 0.74 -1.72 0.00 0.00 179.24 177.29 1tkv h THR 7 N 0.21 1.50 -0.22 0.35 2.02 -1.48 -3.10 112.91 112.18 1tkv h THR 7 Ca 0.46 -3.07 -0.02 0.00 0.77 0.00 0.00 66.41 64.54 1tkv h THR 7 Cb 0.84 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.95 1tkv h THR 7 CO -0.60 0.84 0.04 0.58 0.37 0.00 0.00 175.52 176.76 1tkv h VAL 8 N 0.00 1.22 -0.71 3.16 2.07 -0.10 -2.38 116.25 119.52 1tkv h VAL 8 Ca -0.01 -0.72 0.14 0.00 0.82 0.00 0.00 66.70 66.94 1tkv h VAL 8 Cb 1.64 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 32.58 1tkv h VAL 8 CO 0.11 0.23 0.19 -0.09 0.02 0.00 0.00 177.57 178.03 1tkv h ARG 9 N 0.17 0.29 0.00 1.57 2.43 -0.37 -1.29 114.38 117.19 1tkv h ARG 9 Ca 0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1tkv h ARG 9 Cb 0.30 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1tkv h ARG 9 CO 0.00 0.19 -0.06 1.05 -1.51 0.00 0.00 179.97 179.65 1tkv h GLU 10 N 0.30 0.00 0.01 0.20 4.11 -1.45 -2.41 114.58 115.35 1tkv h GLU 10 Ca 0.39 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.61 1tkv h GLU 10 Cb 0.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1tkv h GLU 10 CO -0.46 0.06 -0.99 0.82 0.07 0.00 0.00 179.01 178.51 1tkv h ILE 11 N 0.00 1.67 -0.46 -1.06 2.04 -1.15 -3.19 117.51 115.36 1tkv h ILE 11 Ca -0.00 -3.26 0.02 0.00 1.00 0.00 0.00 64.86 62.62 1tkv h ILE 11 Cb 0.98 2.79 -0.03 0.00 -0.74 0.00 0.00 36.82 39.82 1tkv h ILE 11 CO 0.01 0.93 0.26 0.40 0.00 0.00 0.00 178.15 179.75 1tkv h ILE 12 N 0.01 1.03 -0.18 -0.67 2.04 -0.74 -1.09 117.51 117.92 1tkv h ILE 12 Ca -0.02 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 1tkv h ILE 12 Cb 1.73 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1tkv h ILE 12 CO 0.13 0.10 -0.53 0.71 0.00 0.00 0.00 178.15 178.56 1tkv h THR 13 N 0.53 1.32 -0.81 -0.27 1.35 -1.58 -1.04 112.91 112.41 1tkv h THR 13 Ca 0.18 -1.78 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 1tkv h THR 13 Cb 0.03 1.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.18 1tkv h THR 13 CO -0.09 0.55 0.47 0.58 -0.25 0.00 0.00 175.52 176.78 1tkv h VAL 14 N 0.40 1.23 -0.37 6.82 2.07 -1.51 -2.27 116.25 122.62 1tkv h VAL 14 Ca 0.01 -0.53 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 1tkv h VAL 14 Cb 1.07 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1tkv h VAL 14 CO 0.10 0.25 -0.41 0.00 0.02 0.00 0.00 177.57 177.53 1tkv h ALA 15 N 1.39 0.55 0.00 1.67 0.00 -0.67 -2.87 119.26 119.33 1tkv h ALA 15 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1tkv h ALA 15 Cb -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1tkv h ALA 15 CO -0.05 0.67 -0.03 0.66 0.00 0.00 0.00 179.25 180.49 1tkv h SER 16 N 0.74 0.00 0.01 0.00 4.64 -1.04 -2.11 113.55 115.79 1tkv h SER 16 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1tkv h SER 16 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1tkv h SER 16 CO 0.10 0.03 -0.00 0.40 -0.87 0.00 0.00 176.83 176.49 1tkv h ILE 17 N 0.00 1.09 -0.88 0.95 1.08 -1.20 0.72 117.51 119.28 1tkv h ILE 17 Ca -0.00 -0.30 0.08 0.00 -0.39 0.00 0.00 64.86 64.26 1tkv h ILE 17 Cb 0.30 1.29 -0.07 0.00 -3.07 0.00 0.00 36.82 35.28 1tkv h ILE 17 CO 0.00 0.08 0.53 -0.07 -0.69 0.00 0.00 178.15 178.00 1tkv h LEU 18 N -0.14 0.80 -0.93 1.44 4.07 -1.26 -1.60 115.31 117.70 1tkv h LEU 18 Ca -0.00 0.03 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 1tkv h LEU 18 Cb 0.13 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1tkv h LEU 18 CO 0.00 0.47 -0.46 0.40 -1.08 0.00 0.00 178.44 177.78 1tkv h ILE 19 N 0.91 1.33 -0.84 1.22 2.04 -1.34 0.27 117.51 121.11 1tkv h ILE 19 Ca 0.41 -1.63 0.09 0.00 1.00 0.00 0.00 64.86 64.73 1tkv h ILE 19 Cb 0.30 1.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 1tkv h ILE 19 CO -0.22 0.48 0.49 0.50 0.00 0.00 0.00 178.15 179.40 1tkv h LYS 20 N 0.14 0.80 -0.06 2.37 3.64 0.06 -2.32 116.57 121.20 1tkv h LYS 20 Ca 0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1tkv h LYS 20 Cb 0.87 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1tkv h LYS 20 CO 0.07 0.53 0.00 1.19 -2.27 0.00 0.00 179.45 178.97 1tkv n PHE 21 N -4.72 0.07 -3.48 1.91 3.72 -0.73 -4.95 117.46 109.27 1tkv n PHE 21 Ca 0.14 -0.03 -0.18 0.00 -0.05 0.00 0.00 57.45 57.32 1tkv n PHE 21 Cb 0.26 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.34 -2.30 -2.40 4.37 2.88 -0.33 -4.95 113.62 111.23 1tkv n SER 22 Ca 0.18 -0.64 -0.30 0.00 -1.33 0.00 0.00 58.87 56.78 1tkv n SER 22 Cb 0.37 -4.97 0.02 0.00 -0.75 0.00 0.00 64.21 58.88 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 -4.22 3.27 0.10 -1.46 5.12 0.81 -4.83 116.66 115.44 1tkv n ARG 23 Ca -0.26 -4.07 0.12 0.00 -1.93 0.00 0.00 57.85 51.71 1tkv n ARG 23 Cb 0.66 -2.27 0.46 0.00 -1.16 0.00 0.00 32.46 30.15 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 -0.62 0.19 -0.20 5.56 -0.00 -1.26 -2.14 120.64 122.18 1tkv n GLU 24 Ca 0.46 0.31 0.15 0.00 -0.00 0.00 0.00 57.16 58.08 1tkv n GLU 24 Cb 0.68 -1.80 0.47 0.00 -0.00 0.00 0.00 31.44 30.79 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 0.46 -0.52 -1.84 3.32 -1.95 -2.37 116.42 113.52 1tkv h ASP 25 Ca 0.00 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1tkv h ASP 25 Cb 0.50 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1tkv h ASP 25 CO 0.00 0.24 -0.11 0.40 -1.72 0.00 0.00 179.24 178.04 1tkv h ILE 26 N 0.49 1.27 -0.23 0.35 2.04 -1.83 -2.98 117.51 116.62 1tkv h ILE 26 Ca 0.39 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 1tkv h ILE 26 Cb 0.83 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1tkv h ILE 26 CO -0.14 0.45 -0.08 0.58 0.00 0.00 0.00 178.15 178.95 1tkv h VAL 27 N 0.87 1.19 0.00 1.67 2.07 -1.61 -3.26 116.25 117.18 1tkv h VAL 27 Ca 0.13 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1tkv h VAL 27 Cb 0.68 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1tkv h VAL 27 CO 0.05 0.26 0.00 1.21 0.02 0.00 0.00 177.57 179.11 1tkv n GLU 28 N -4.27 0.17 -4.12 1.57 0.00 -0.93 -4.45 120.64 108.61 1tkv n GLU 28 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 57.16 57.28 1tkv n GLU 28 Cb 0.26 -1.84 -0.16 0.00 0.00 0.00 0.00 31.44 29.70 1tkv n GLU 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1tkv s ASN 29 N -4.11 2.70 0.05 4.31 3.84 -1.23 -4.67 114.94 115.83 1tkv s ASN 29 Ca 0.04 -0.50 -0.10 0.00 0.21 0.00 0.00 52.86 52.51 1tkv s ASN 29 Cb 0.09 -1.20 -0.02 0.00 -0.55 0.00 0.00 41.25 39.57 1tkv s ASN 29 CO 0.37 -0.04 0.70 -1.14 -2.79 0.00 0.00 177.10 174.20 1tkv n ARG 30 N 4.65 -0.15 0.18 0.43 0.63 -0.81 -1.31 116.66 120.29 1tkv n ARG 30 Ca -0.18 0.69 0.06 0.00 -0.92 0.00 0.00 57.85 57.50 1tkv n ARG 30 Cb 0.50 -1.02 0.24 0.00 0.45 0.00 0.00 32.46 32.63 1tkv n ARG 30 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tkv h ALA 31 N -0.02 0.87 0.00 5.13 0.00 -1.95 -2.10 119.26 121.19 1tkv h ALA 31 Ca 0.05 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1tkv h ALA 31 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1tkv h ALA 31 CO -0.31 0.45 -0.90 -0.91 0.00 0.00 0.00 179.25 177.58 1tkv h ASN 32 N 0.00 0.00 0.01 0.00 2.35 -1.72 -2.44 115.58 113.79 1tkv h ASN 32 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1tkv h ASN 32 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1tkv h ASN 32 CO 0.05 0.77 -0.01 0.15 -1.65 0.00 0.00 177.43 176.74 1tkv h PHE 33 N 0.00 -0.02 -0.98 1.19 3.57 -1.00 -0.83 116.94 118.87 1tkv h PHE 33 Ca -0.04 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.59 1tkv h PHE 33 Cb 1.62 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 40.28 1tkv h PHE 33 CO 0.00 0.21 0.62 0.82 -2.23 0.00 0.00 178.31 177.73 1tkv h ILE 34 N -0.24 0.86 -0.37 1.41 2.04 -1.41 0.21 117.51 120.01 1tkv h ILE 34 Ca -0.00 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1tkv h ILE 34 Cb 0.24 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1tkv h ILE 34 CO 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1tkv h ALA 35 N 1.57 0.50 -0.53 1.87 0.00 -1.32 -1.69 119.26 119.65 1tkv h ALA 35 Ca 0.50 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1tkv h ALA 35 Cb 0.61 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1tkv h ALA 35 CO -0.27 0.29 0.12 0.35 0.00 0.00 0.00 179.25 179.73 1tkv h PHE 36 N 0.48 0.19 -0.90 0.00 3.57 -0.19 -2.04 116.94 118.05 1tkv h PHE 36 Ca 0.10 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1tkv h PHE 36 Cb 0.49 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1tkv h PHE 36 CO 0.04 -0.00 0.57 -0.07 -2.23 0.00 0.00 178.31 176.62 1tkv h LEU 37 N 0.26 0.92 -0.67 0.59 3.38 -0.34 -2.74 115.31 116.71 1tkv h LEU 37 Ca 0.27 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1tkv h LEU 37 Cb 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1tkv h LEU 37 CO -0.35 0.60 -0.18 0.78 0.09 0.00 0.00 178.44 179.39 1tkv h ASN 38 N 1.07 0.00 0.45 -0.43 2.35 -0.82 0.07 115.58 118.27 1tkv h ASN 38 Ca 0.38 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 1tkv h ASN 38 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1tkv h ASN 38 CO -0.16 0.18 -0.22 -0.33 -1.65 0.00 0.00 177.43 175.26 1tkv h GLU 39 N 0.00 -0.59 0.00 0.81 5.08 -1.10 -3.27 114.58 115.51 1tkv h GLU 39 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1tkv h GLU 39 Cb 0.90 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1tkv h GLU 39 CO 0.02 -0.29 0.00 -0.84 -1.00 0.00 0.00 179.01 176.90 1tkv h ILE 40 N -1.03 0.00 -1.11 3.13 3.07 -1.49 -3.47 117.51 116.61 1tkv h ILE 40 Ca -0.06 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.88 1tkv h ILE 40 Cb 0.56 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 1tkv h ILE 40 CO 0.10 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.81 1tkv n GLY 41 N 0.20 0.64 3.56 0.16 0.00 -0.11 -5.02 105.19 104.62 1tkv n GLY 41 Ca 0.02 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.47 3.76 -0.27 1.61 1.01 -0.48 -4.98 120.40 118.59 1tkv s VAL 42 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 1tkv s VAL 42 Cb 0.00 -4.85 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 1tkv s VAL 42 CO 0.00 -1.73 0.29 0.42 0.00 0.00 0.00 175.10 174.07 1tkv s THR 43 N 5.70 5.24 0.00 3.92 -4.23 -1.26 -4.38 115.64 120.62 1tkv s THR 43 Ca 0.38 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1tkv s THR 43 Cb -0.08 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1tkv s THR 43 CO 0.17 0.21 0.00 1.57 -0.54 0.00 0.00 174.62 176.03 1tkv n HIS 44 N 5.11 0.00 -0.95 3.99 -0.00 -1.14 -4.26 115.22 117.97 1tkv n HIS 44 Ca -0.11 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.91 1tkv n HIS 44 Cb 0.51 0.00 -0.00 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 1.81 -1.19 1.57 1.02 -1.26 -3.35 120.64 119.23 1tkv n GLU 45 Ca 0.00 -1.43 -0.07 0.00 -0.02 0.00 0.00 57.16 55.64 1tkv n GLU 45 Cb 0.00 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 29.74 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 0.79 0.89 3.41 0.62 0.00 -1.26 -4.88 105.19 104.75 1tkv n GLY 46 Ca 0.30 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.45 1.64 0.05 1.61 1.81 -1.26 -5.07 118.95 115.28 1tkv s ARG 47 Ca 0.00 -1.22 -0.31 0.00 -1.72 0.00 0.00 55.73 52.48 1tkv s ARG 47 Cb 0.00 -1.99 -0.06 0.00 -0.45 0.00 0.00 34.95 32.45 1tkv s ARG 47 CO 0.00 0.48 1.28 0.15 -0.68 0.00 0.00 175.30 176.52 1tkv s LYS 48 N -1.84 4.37 -0.01 3.54 -0.14 -1.26 -2.87 119.74 121.52 1tkv s LYS 48 Ca 0.14 1.86 -0.30 0.00 -1.36 0.00 0.00 55.97 56.32 1tkv s LYS 48 Cb -0.10 -3.38 -0.03 0.00 -1.68 0.00 0.00 37.83 32.64 1tkv s LYS 48 CO 0.06 -0.37 1.07 -1.17 -0.76 0.00 0.00 175.35 174.18 1tkv s LEU 49 N 1.39 4.33 0.14 3.17 0.20 -1.26 -5.00 118.68 121.65 1tkv s LEU 49 Ca 0.61 1.75 0.01 0.00 0.69 0.00 0.00 54.13 57.18 1tkv s LEU 49 Cb -0.31 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 41.84 1tkv s LEU 49 CO 0.28 -0.39 0.30 0.20 -0.29 0.00 0.00 176.35 176.45 1tkv s ASN 50 N 1.11 6.37 0.18 3.68 -0.87 -1.26 -4.90 114.94 119.24 1tkv s ASN 50 Ca 0.54 0.28 -0.11 0.00 -1.57 0.00 0.00 52.86 52.00 1tkv s ASN 50 Cb -0.23 -1.96 0.09 0.00 -0.02 0.00 0.00 41.25 39.13 1tkv s ASN 50 CO 0.26 0.06 1.72 -0.61 -2.57 0.00 0.00 177.10 175.95 1tkv h GLN 51 N 2.40 0.99 -0.13 -0.60 4.15 -1.97 0.20 115.11 120.14 1tkv h GLN 51 Ca -0.47 -0.21 -0.15 0.00 0.77 0.00 0.00 58.65 58.59 1tkv h GLN 51 Cb 1.18 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1tkv h GLN 51 CO 0.71 0.86 -0.57 -2.95 -1.93 0.00 0.00 178.83 174.95 1tkv h ASN 52 N 0.92 0.46 1.28 -0.69 -1.07 -1.99 -2.63 115.58 111.87 1tkv h ASN 52 Ca 0.21 -0.25 -0.09 0.00 0.07 0.00 0.00 56.30 56.24 1tkv h ASN 52 Cb 0.28 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.38 1tkv h ASN 52 CO -0.01 0.93 -0.75 0.28 0.07 0.00 0.00 177.43 177.95 1tkv h SER 53 N 0.31 0.00 0.21 6.14 0.02 -1.90 -2.65 113.55 115.69 1tkv h SER 53 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1tkv h SER 53 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1tkv h SER 53 CO 0.10 0.37 -0.10 0.15 -1.14 0.00 0.00 176.83 176.21 1tkv h PHE 54 N 0.00 -0.26 -0.04 3.45 3.57 -0.64 -2.50 116.94 120.53 1tkv h PHE 54 Ca -0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1tkv h PHE 54 Cb 1.32 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 1tkv h PHE 54 CO 0.00 -0.03 -0.03 -0.09 -2.23 0.00 0.00 178.31 175.93 1tkv h ARG 55 N -0.46 0.05 -0.26 1.11 2.43 -1.45 -2.05 114.38 113.76 1tkv h ARG 55 Ca -0.03 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 1tkv h ARG 55 Cb 0.35 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1tkv h ARG 55 CO 0.05 0.09 -0.46 1.57 -1.51 0.00 0.00 179.97 179.70 1tkv h LYS 56 N 0.05 0.77 -0.57 0.20 2.10 -1.45 -1.60 116.57 116.07 1tkv h LYS 56 Ca 0.01 -0.48 0.05 0.00 -2.00 0.00 0.00 60.65 58.23 1tkv h LYS 56 Cb 0.09 0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.43 1tkv h LYS 56 CO 0.00 1.11 0.30 -0.84 -2.00 0.00 0.00 179.45 178.03 1tkv h ILE 57 N 0.52 0.97 0.15 0.07 3.07 -0.92 -2.99 117.51 118.37 1tkv h ILE 57 Ca 0.02 -0.20 -0.25 0.00 1.55 0.00 0.00 64.86 65.97 1tkv h ILE 57 Cb 1.07 0.33 0.01 0.00 -0.27 0.00 0.00 36.82 37.96 1tkv h ILE 57 CO 0.10 0.11 -1.22 -0.37 -1.05 0.00 0.00 178.15 175.72 1tkv h VAL 58 N 0.58 1.23 0.00 0.16 -1.51 -1.49 -3.40 116.25 111.82 1tkv h VAL 58 Ca 0.25 -2.49 -0.00 0.00 -1.23 0.00 0.00 66.70 63.23 1tkv h VAL 58 Cb 0.15 2.94 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1tkv h VAL 58 CO -0.16 0.73 -0.00 -1.28 -1.23 0.00 0.00 177.57 175.63 1tkv h SER 59 N -0.25 -0.00 -0.27 4.19 0.87 -1.36 -3.36 113.55 113.37 1tkv h SER 59 Ca -0.24 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.58 1tkv h SER 59 Cb 1.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 1tkv h SER 59 CO 0.13 0.74 0.00 -1.84 -0.53 0.00 0.00 176.83 175.32 1tkv n GLU 60 N -4.74 1.89 -1.41 2.24 0.28 -1.13 -4.96 120.64 112.81 1tkv n GLU 60 Ca -0.09 -1.07 -0.42 0.00 -0.16 0.00 0.00 57.16 55.41 1tkv n GLU 60 Cb 0.36 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.85 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 0.31 -0.85 -4.91 -1.84 4.77 -1.26 -4.98 117.00 108.24 1tkv n LEU 61 Ca 0.10 0.91 -0.28 0.00 -0.03 0.00 0.00 56.01 56.71 1tkv n LEU 61 Cb 0.34 -1.04 0.03 0.00 -2.33 0.00 0.00 43.42 40.43 1tkv n LEU 61 CO 0.08 -3.20 0.59 0.42 -1.33 0.00 0.00 177.39 173.95 1tkv s THR 62 N -1.47 3.66 0.28 -5.08 -4.23 -1.26 -4.94 115.64 102.60 1tkv s THR 62 Ca 0.62 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 61.27 1tkv s THR 62 Cb -0.65 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 69.99 1tkv s THR 62 CO 0.59 -0.53 1.89 1.56 -0.54 0.00 0.00 174.62 177.59 1tkv h GLN 63 N -0.29 1.08 0.00 3.99 4.20 -1.99 -1.81 115.11 120.28 1tkv h GLN 63 Ca -0.45 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.11 1tkv h GLN 63 Cb 1.25 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1tkv h GLN 63 CO 0.62 0.71 -0.40 0.93 -0.67 0.00 0.00 178.83 180.02 1tkv h GLU 64 N 1.11 0.00 -0.33 1.46 3.07 -1.97 0.45 114.58 118.37 1tkv h GLU 64 Ca 0.43 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.13 1tkv h GLU 64 Cb 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1tkv h GLU 64 CO -0.17 0.40 -0.41 -0.44 -1.40 0.00 0.00 179.01 176.98 1tkv h ASP 65 N 0.00 0.88 0.11 1.42 3.32 -1.71 -1.46 116.42 118.99 1tkv h ASP 65 Ca -0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1tkv h ASP 65 Cb 0.73 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1tkv h ASP 65 CO 0.05 1.17 -0.05 0.11 -1.72 0.00 0.00 179.24 178.80 1tkv h LYS 66 N 0.67 -0.14 -1.39 3.56 1.57 -1.21 -2.71 116.57 116.91 1tkv h LYS 66 Ca 0.05 0.01 0.41 0.00 -1.87 0.00 0.00 60.65 59.25 1tkv h LYS 66 Cb 0.98 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.24 1tkv h LYS 66 CO 0.09 0.33 0.96 0.87 -0.57 0.00 0.00 179.45 181.14 1tkv h LYS 67 N -0.89 0.09 0.08 3.15 1.57 -1.01 0.28 116.57 119.84 1tkv h LYS 67 Ca -0.02 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 1tkv h LYS 67 Cb 0.55 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.85 1tkv h LYS 67 CO 0.03 0.06 -1.14 1.15 -0.57 0.00 0.00 179.45 178.97 1tkv h THR 68 N 0.09 1.35 0.00 -0.16 2.02 -0.97 -2.45 112.91 112.79 1tkv h THR 68 Ca 0.73 -2.53 -0.19 0.00 0.77 0.00 0.00 66.41 65.19 1tkv h THR 68 Cb 2.59 2.62 -0.03 0.00 -1.74 0.00 0.00 68.15 71.60 1tkv h THR 68 CO -0.18 0.76 -0.91 -0.07 0.37 0.00 0.00 175.52 175.49 1tkv h LEU 69 N 0.24 0.03 -0.83 2.58 3.38 -1.00 -1.95 115.31 117.75 1tkv h LEU 69 Ca -0.14 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1tkv h LEU 69 Cb 1.81 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.51 1tkv h LEU 69 CO 0.21 0.92 0.51 0.40 0.09 0.00 0.00 178.44 180.57 1tkv h ILE 70 N 0.01 1.23 -0.37 1.22 2.04 -0.99 0.18 117.51 120.83 1tkv h ILE 70 Ca -0.01 -0.50 -0.15 0.00 1.00 0.00 0.00 64.86 65.19 1tkv h ILE 70 Cb 1.60 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1tkv h ILE 70 CO 0.12 0.24 -0.38 0.44 0.00 0.00 0.00 178.15 178.57 1tkv h ASP 71 N 1.14 0.94 0.49 1.72 3.32 -1.26 -3.29 116.42 119.48 1tkv h ASP 71 Ca 0.30 -0.42 -0.30 0.00 0.02 0.00 0.00 57.03 56.63 1tkv h ASP 71 Cb -0.05 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.20 1tkv h ASP 71 CO -0.06 1.20 -1.65 -0.33 -1.72 0.00 0.00 179.24 176.69 1tkv h GLU 72 N 0.72 0.08 -2.23 3.56 5.08 -1.18 -3.39 114.58 117.21 1tkv h GLU 72 Ca 0.06 -0.13 -0.58 0.00 -1.00 0.00 0.00 59.36 57.71 1tkv h GLU 72 Cb 0.96 0.05 -0.42 0.00 0.50 0.00 0.00 28.75 29.84 1tkv h GLU 72 CO 0.09 0.75 -0.68 1.19 -1.00 0.00 0.00 179.01 179.36 1tkv n PHE 73 N -3.21 3.51 0.00 4.33 3.01 0.61 -5.00 117.46 120.72 1tkv n PHE 73 Ca -0.17 -4.02 0.00 0.00 1.01 0.00 0.00 57.45 54.27 1tkv n PHE 73 Cb 1.04 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1tkv n PHE 73 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1tkv n ASN 74 N 0.15 0.00 -0.17 4.37 4.13 -1.24 -0.35 115.26 122.15 1tkv n ASN 74 Ca 0.30 0.94 -0.10 0.00 1.68 0.00 0.00 54.58 57.40 1tkv n ASN 74 Cb 0.42 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1tkv h GLU 75 N 0.00 0.84 0.66 3.52 4.57 -1.94 -2.99 114.58 119.24 1tkv h GLU 75 Ca 0.00 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 1tkv h GLU 75 Cb 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1tkv h GLU 75 CO 0.00 0.88 -0.34 0.78 -1.18 0.00 0.00 179.01 179.15 1tkv h GLY 76 N 0.70 -1.01 1.08 1.92 0.00 -1.97 -3.10 103.07 100.70 1tkv h GLY 76 Ca 0.14 0.39 -0.19 0.00 0.00 0.00 0.00 47.33 47.66 1tkv h GLY 76 CO 0.02 -0.36 -0.62 -2.75 0.00 0.00 0.00 176.54 172.83 1tkv h PHE 77 N -0.91 0.98 -0.76 5.60 3.04 -0.81 -0.62 116.94 123.45 1tkv h PHE 77 Ca -0.09 -0.40 0.17 0.00 3.98 0.00 0.00 57.97 61.63 1tkv h PHE 77 Cb 0.71 -0.16 -0.13 0.00 2.56 0.00 0.00 35.95 38.93 1tkv h PHE 77 CO 0.03 1.22 0.04 0.93 -2.02 0.00 0.00 178.31 178.51 1tkv h GLU 78 N 0.46 0.12 0.39 1.11 5.08 -1.63 0.43 114.58 120.55 1tkv h GLU 78 Ca -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1tkv h GLU 78 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1tkv h GLU 78 CO 0.13 0.08 -0.19 0.78 -1.00 0.00 0.00 179.01 178.81 1tkv h GLY 79 N 0.13 -0.55 2.00 -3.84 0.00 -1.43 -3.20 103.07 96.17 1tkv h GLY 79 Ca 0.42 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.93 1tkv h GLY 79 CO -0.64 -0.20 -0.11 -0.39 0.00 0.00 0.00 176.54 175.19 1tkv h VAL 80 N -0.76 0.34 -0.09 4.60 -1.51 -0.96 -2.70 116.25 115.17 1tkv h VAL 80 Ca -0.05 -0.72 -0.19 0.00 -1.23 0.00 0.00 66.70 64.51 1tkv h VAL 80 Cb 0.41 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1tkv h VAL 80 CO 0.09 0.11 -0.74 0.22 -1.23 0.00 0.00 177.57 176.03 1tkv h TYR 81 N 0.00 0.64 -0.80 5.19 3.20 -0.27 0.10 116.97 125.02 1tkv h TYR 81 Ca -0.00 -0.28 0.18 0.00 3.14 0.00 0.00 58.73 61.76 1tkv h TYR 81 Cb 0.53 -0.10 -0.11 0.00 1.54 0.00 0.00 36.73 38.59 1tkv h TYR 81 CO 0.00 1.05 0.29 0.00 -1.64 0.00 0.00 178.16 177.86 1tkv h ARG 82 N 0.32 0.36 0.12 1.82 2.47 -1.47 0.10 114.38 118.11 1tkv h ARG 82 Ca -0.03 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1tkv h ARG 82 Cb 1.32 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1tkv h ARG 82 CO 0.13 0.24 -0.06 1.88 0.56 0.00 0.00 179.97 182.72 1tkv h TYR 83 N 0.37 -0.15 -0.01 3.04 -1.99 -1.41 -2.16 116.97 114.66 1tkv h TYR 83 Ca 0.47 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.13 1tkv h TYR 83 Cb 0.81 0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 1tkv h TYR 83 CO -0.19 0.23 -0.28 -0.07 -0.00 0.00 0.00 178.16 177.85 1tkv h LEU 84 N -0.57 0.01 0.38 3.88 3.38 -0.62 -2.76 115.31 119.01 1tkv h LEU 84 Ca -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1tkv h LEU 84 Cb 0.45 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1tkv h LEU 84 CO 0.03 0.29 -0.18 -0.08 0.09 0.00 0.00 178.44 178.59 1tkv h GLU 85 N 0.01 -0.49 -0.11 1.13 4.81 -0.73 -3.32 114.58 115.89 1tkv h GLU 85 Ca -0.00 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1tkv h GLU 85 Cb 0.51 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1tkv h GLU 85 CO 0.04 -0.33 0.16 0.00 -0.73 0.00 0.00 179.01 178.15 1tkv h MET 86 N -0.70 0.00 -0.13 1.92 -0.00 -1.37 -2.36 114.93 112.29 1tkv h MET 86 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1tkv h MET 86 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 1tkv h MET 86 CO 0.09 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 177.66 1tkv n TYR 87 N -3.58 0.16 -2.56 -0.10 4.01 -1.05 -3.18 117.16 110.87 1tkv n TYR 87 Ca -0.00 -0.08 0.02 0.00 -0.16 0.00 0.00 57.90 57.68 1tkv n TYR 87 Cb 0.26 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.22 0.36 -2.54 -0.72 5.66 -0.91 -1.92 114.28 114.43 1tkv n THR 88 Ca 0.17 -1.46 -0.42 0.00 -3.05 0.00 0.00 64.05 59.28 1tkv n THR 88 Cb 0.32 1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 70.11 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 -2.39 7.15 0.00 1.09 0.02 -1.10 -4.98 114.94 114.72 1tkv s ASN 89 Ca 0.28 1.78 0.32 0.00 -1.02 0.00 0.00 52.86 54.22 1tkv s ASN 89 Cb 0.34 -2.56 1.89 0.00 0.02 0.00 0.00 41.25 40.94 1tkv s ASN 89 CO -0.12 -0.47 2.21 0.29 0.02 0.00 0.00 177.10 179.03