#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 2.71 0.06 1.20 -2.85 -1.26 -4.75 119.74 114.84 1tkv s LYS 3 Ca 0.00 -1.33 -0.16 0.00 -1.00 0.00 0.00 55.97 53.48 1tkv s LYS 3 Cb 0.00 -2.48 -0.06 0.00 -2.06 0.00 0.00 37.83 33.24 1tkv s LYS 3 CO 0.00 0.04 1.27 -2.95 0.10 0.00 0.00 175.35 173.80 1tkv h ASN 4 N 1.18 -0.88 -0.72 0.03 7.08 -1.98 -3.24 115.58 117.06 1tkv h ASN 4 Ca -0.44 0.11 0.16 0.00 -3.08 0.00 0.00 56.30 53.05 1tkv h ASN 4 Cb 1.26 0.36 -0.13 0.00 -2.08 0.00 0.00 38.32 37.73 1tkv h ASN 4 CO 0.58 -0.21 -0.01 -0.29 -2.08 0.00 0.00 177.43 175.42 1tkv h ILE 5 N -0.22 0.37 0.00 6.14 2.10 -1.97 -0.58 117.51 123.35 1tkv h ILE 5 Ca 0.03 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1tkv h ILE 5 Cb 0.30 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 1tkv h ILE 5 CO -0.26 0.02 0.00 0.44 -1.08 0.00 0.00 178.15 177.27 1tkv h ASP 6 N 0.10 0.00 0.20 2.19 3.32 -1.99 -1.11 116.42 119.12 1tkv h ASP 6 Ca 0.39 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.09 1tkv h ASP 6 Cb 0.66 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 1tkv h ASP 6 CO -0.64 0.00 -2.07 0.41 -1.72 0.00 0.00 179.24 175.22 1tkv n THR 7 N -2.92 1.60 -0.27 0.35 -1.04 -0.28 -3.33 114.28 108.39 1tkv n THR 7 Ca -0.00 -0.73 -0.02 0.00 -2.04 0.00 0.00 64.05 61.26 1tkv n THR 7 Cb 0.20 -1.20 0.10 0.00 -1.82 0.00 0.00 70.33 67.61 1tkv n THR 7 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1tkv h VAL 8 N 0.02 1.08 -0.46 12.58 2.07 -0.81 -2.58 116.25 128.15 1tkv h VAL 8 Ca -0.43 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1tkv h VAL 8 Cb 2.05 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.84 1tkv h VAL 8 CO 0.04 0.16 -0.47 -0.09 0.02 0.00 0.00 177.57 177.23 1tkv h ARG 9 N 0.90 -0.24 0.00 1.57 2.43 -1.37 0.18 114.38 117.84 1tkv h ARG 9 Ca 0.31 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 1tkv h ARG 9 Cb 0.07 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1tkv h ARG 9 CO -0.13 -0.16 -0.08 1.05 -1.51 0.00 0.00 179.97 179.13 1tkv h GLU 10 N -0.25 0.00 0.13 0.20 4.11 -1.51 -2.91 114.58 114.35 1tkv h GLU 10 Ca 0.08 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.21 1tkv h GLU 10 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1tkv h GLU 10 CO -0.57 0.08 -1.39 0.82 0.07 0.00 0.00 179.01 178.02 1tkv h ILE 11 N 0.00 1.33 -1.00 -1.06 2.04 -0.81 -3.18 117.51 114.82 1tkv h ILE 11 Ca -0.00 -2.92 0.18 0.00 1.00 0.00 0.00 64.86 63.12 1tkv h ILE 11 Cb 0.27 2.87 -0.10 0.00 -0.74 0.00 0.00 36.82 39.11 1tkv h ILE 11 CO 0.01 0.85 0.62 0.40 0.00 0.00 0.00 178.15 180.03 1tkv h ILE 12 N 0.08 0.74 0.09 -0.67 2.04 -0.51 0.41 117.51 119.68 1tkv h ILE 12 Ca -0.19 -0.27 -0.25 0.00 1.00 0.00 0.00 64.86 65.14 1tkv h ILE 12 Cb 2.01 -0.13 0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1tkv h ILE 12 CO 0.19 0.15 -1.04 0.71 0.00 0.00 0.00 178.15 178.16 1tkv h THR 13 N 0.80 1.34 -0.82 -0.27 1.35 -1.62 -2.77 112.91 110.92 1tkv h THR 13 Ca 0.57 -2.37 0.17 0.00 -0.55 0.00 0.00 66.41 64.23 1tkv h THR 13 Cb 0.84 2.71 -0.11 0.00 -1.73 0.00 0.00 68.15 69.87 1tkv h THR 13 CO -0.36 0.71 0.34 0.58 -0.25 0.00 0.00 175.52 176.54 1tkv h VAL 14 N 0.12 0.60 -0.55 6.82 2.07 -1.44 -2.58 116.25 121.29 1tkv h VAL 14 Ca -0.15 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1tkv h VAL 14 Cb 1.74 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1tkv h VAL 14 CO 0.20 0.08 -0.09 0.00 0.02 0.00 0.00 177.57 177.78 1tkv h ALA 15 N 1.61 0.79 0.00 1.67 0.00 -0.15 -1.90 119.26 121.28 1tkv h ALA 15 Ca 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tkv h ALA 15 Cb 0.77 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1tkv h ALA 15 CO -0.44 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.14 1tkv h SER 16 N 0.92 0.00 -0.06 0.00 4.64 -1.25 -2.77 113.55 115.03 1tkv h SER 16 Ca 0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1tkv h SER 16 Cb 0.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1tkv h SER 16 CO 0.05 0.00 0.03 0.40 -0.87 0.00 0.00 176.83 176.44 1tkv h ILE 17 N 0.00 1.11 -0.64 0.95 1.08 -0.95 -0.16 117.51 118.90 1tkv h ILE 17 Ca 0.00 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1tkv h ILE 17 Cb 0.37 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1tkv h ILE 17 CO 0.00 0.09 0.33 -0.07 -0.69 0.00 0.00 178.15 177.82 1tkv h LEU 18 N -0.02 0.79 -0.50 1.44 4.07 -1.39 -1.69 115.31 118.00 1tkv h LEU 18 Ca 0.02 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.80 1tkv h LEU 18 Cb 0.12 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1tkv h LEU 18 CO -0.00 0.65 -0.54 0.40 -1.08 0.00 0.00 178.44 177.87 1tkv h ILE 19 N 0.89 1.07 -0.71 1.22 2.04 -1.31 0.51 117.51 121.22 1tkv h ILE 19 Ca 0.23 -2.08 -0.02 0.00 1.00 0.00 0.00 64.86 63.98 1tkv h ILE 19 Cb 0.05 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1tkv h ILE 19 CO -0.03 0.52 0.37 0.50 0.00 0.00 0.00 178.15 179.51 1tkv h LYS 20 N 0.00 1.01 -0.10 2.37 3.64 -0.31 -2.87 116.57 120.32 1tkv h LYS 20 Ca -0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1tkv h LYS 20 Cb 1.19 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1tkv h LYS 20 CO 0.07 0.77 0.00 1.19 -2.27 0.00 0.00 179.45 179.21 1tkv n PHE 21 N -4.46 0.11 -2.98 1.91 3.72 -0.70 -4.94 117.46 110.12 1tkv n PHE 21 Ca 0.06 -0.06 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1tkv n PHE 21 Cb 0.11 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 1tkv n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tkv n SER 22 N 0.30 -2.82 -1.41 4.37 2.88 -0.49 -4.97 113.62 111.48 1tkv n SER 22 Ca 0.18 -0.37 -0.06 0.00 -1.33 0.00 0.00 58.87 57.28 1tkv n SER 22 Cb 0.35 -3.38 0.11 0.00 -0.75 0.00 0.00 64.21 60.54 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 -3.07 2.26 0.24 -1.46 5.12 0.17 -4.84 116.66 115.09 1tkv n ARG 23 Ca -0.13 -3.55 0.17 0.00 -1.93 0.00 0.00 57.85 52.41 1tkv n ARG 23 Cb 0.59 -1.74 0.88 0.00 -1.16 0.00 0.00 32.46 31.02 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 1.59 0.00 -1.17 5.56 -0.00 -1.91 -2.71 114.58 115.94 1tkv h GLU 24 Ca 0.12 0.00 0.33 0.00 -0.00 0.00 0.00 59.36 59.81 1tkv h GLU 24 Cb 1.31 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.99 1tkv h GLU 24 CO 0.32 0.00 0.81 -0.44 -0.00 0.00 0.00 179.01 179.70 1tkv h ASP 25 N 0.00 0.15 -0.27 3.06 3.32 -1.95 0.50 116.42 121.24 1tkv h ASP 25 Ca 0.05 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1tkv h ASP 25 Cb 0.33 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1tkv h ASP 25 CO -0.00 0.01 -0.22 0.40 -1.72 0.00 0.00 179.24 177.72 1tkv h ILE 26 N 0.12 1.31 -0.37 0.35 2.04 -1.86 -3.30 117.51 115.79 1tkv h ILE 26 Ca 0.60 -1.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 1tkv h ILE 26 Cb 2.09 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.75 1tkv h ILE 26 CO -0.12 0.43 -0.18 0.58 0.00 0.00 0.00 178.15 178.86 1tkv h VAL 27 N 0.35 1.26 0.00 1.67 2.07 -1.14 -3.15 116.25 117.31 1tkv h VAL 27 Ca 0.05 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1tkv h VAL 27 Cb 0.76 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1tkv h VAL 27 CO 0.06 0.41 -0.00 -0.08 0.02 0.00 0.00 177.57 177.97 1tkv h GLU 28 N 0.62 0.00 -4.32 1.57 4.22 -1.13 -3.40 114.58 112.15 1tkv h GLU 28 Ca 0.10 0.00 -0.48 0.00 0.08 0.00 0.00 59.36 59.05 1tkv h GLU 28 Cb 0.65 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.56 1tkv h GLU 28 CO 0.05 0.00 -0.80 1.21 -2.18 0.00 0.00 179.01 177.29 1tkv s ASN 29 N -5.38 1.58 0.21 1.04 3.84 -1.25 -4.75 114.94 110.23 1tkv s ASN 29 Ca -0.04 -0.24 -0.09 0.00 0.21 0.00 0.00 52.86 52.69 1tkv s ASN 29 Cb 0.13 -0.70 0.30 0.00 -0.55 0.00 0.00 41.25 40.42 1tkv s ASN 29 CO 0.45 -0.02 1.74 0.08 -2.79 0.00 0.00 177.10 176.56 1tkv h ARG 30 N 7.25 0.41 0.00 0.43 0.11 -1.78 -1.42 114.38 119.38 1tkv h ARG 30 Ca -0.32 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1tkv h ARG 30 Cb 1.17 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1tkv h ARG 30 CO 0.46 0.27 0.00 0.00 0.10 0.00 0.00 179.97 180.80 1tkv h ALA 31 N 1.43 1.00 0.16 0.08 0.00 -1.94 -0.27 119.26 119.73 1tkv h ALA 31 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.92 1tkv h ALA 31 Cb 0.40 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.22 1tkv h ALA 31 CO -0.32 0.00 -1.32 -0.91 0.00 0.00 0.00 179.25 176.71 1tkv h ASN 32 N 0.00 0.85 0.27 0.00 2.35 -1.56 -2.58 115.58 114.91 1tkv h ASN 32 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 1tkv h ASN 32 Cb 0.45 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1tkv h ASN 32 CO 0.00 1.63 -0.26 0.15 -1.65 0.00 0.00 177.43 177.30 1tkv h PHE 33 N 0.23 -0.68 -0.86 1.19 3.57 -0.89 -1.44 116.94 118.06 1tkv h PHE 33 Ca -0.21 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.38 1tkv h PHE 33 Cb 1.99 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 40.93 1tkv h PHE 33 CO 0.12 -0.38 0.52 0.82 -2.23 0.00 0.00 178.31 177.16 1tkv h ILE 34 N -0.55 0.97 0.00 1.41 2.04 -1.14 0.30 117.51 120.54 1tkv h ILE 34 Ca -0.01 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1tkv h ILE 34 Cb 0.51 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1tkv h ILE 34 CO -0.05 0.16 -0.15 0.00 0.00 0.00 0.00 178.15 178.12 1tkv h ALA 35 N 1.44 1.58 0.15 1.87 0.00 -1.36 -1.91 119.26 121.03 1tkv h ALA 35 Ca 0.40 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.89 1tkv h ALA 35 Cb 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1tkv h ALA 35 CO -0.22 0.18 -1.32 0.35 0.00 0.00 0.00 179.25 178.25 1tkv h PHE 36 N 0.00 0.57 -0.31 0.00 3.57 0.05 -2.68 116.94 118.13 1tkv h PHE 36 Ca -0.00 -0.42 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1tkv h PHE 36 Cb 0.29 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1tkv h PHE 36 CO 0.00 1.34 0.09 -0.07 -2.23 0.00 0.00 178.31 177.44 1tkv h LEU 37 N 0.09 0.08 -1.44 0.59 3.38 -0.14 -0.91 115.31 116.96 1tkv h LEU 37 Ca -0.17 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1tkv h LEU 37 Cb 2.01 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1tkv h LEU 37 CO 0.21 0.08 0.00 0.78 0.09 0.00 0.00 178.44 179.60 1tkv h ASN 38 N 0.22 0.00 0.26 -0.43 2.35 -1.38 -2.08 115.58 114.51 1tkv h ASN 38 Ca 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1tkv h ASN 38 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1tkv h ASN 38 CO -0.16 0.00 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.16 1tkv h GLU 39 N 0.00 -0.34 -0.01 0.81 5.08 -0.85 -3.40 114.58 115.89 1tkv h GLU 39 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1tkv h GLU 39 Cb 0.21 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1tkv h GLU 39 CO 0.00 -0.22 -0.15 0.44 -1.00 0.00 0.00 179.01 178.07 1tkv n ILE 40 N -4.79 0.00 -1.41 3.13 -0.00 -0.65 -4.92 119.36 110.72 1tkv n ILE 40 Ca -0.04 -0.09 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1tkv n ILE 40 Cb 0.14 0.07 0.00 0.00 -0.00 0.00 0.00 39.64 39.85 1tkv n ILE 40 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1tkv n GLY 41 N 1.30 0.98 3.65 3.28 0.00 -0.88 -5.05 105.19 108.47 1tkv n GLY 41 Ca 0.14 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.55 4.76 0.10 1.61 1.01 -0.84 -5.04 120.40 119.45 1tkv s VAL 42 Ca 0.00 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.80 1tkv s VAL 42 Cb 0.00 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1tkv s VAL 42 CO 0.00 -0.13 -0.12 0.42 0.00 0.00 0.00 175.10 175.26 1tkv s THR 43 N 3.02 3.23 0.00 3.92 -4.23 -1.26 -4.55 115.64 115.76 1tkv s THR 43 Ca 0.39 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1tkv s THR 43 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1tkv s THR 43 CO 0.07 0.13 0.01 1.57 -0.54 0.00 0.00 174.62 175.86 1tkv n HIS 44 N 0.78 0.00 -1.59 3.99 -0.00 -1.15 -4.60 115.22 112.65 1tkv n HIS 44 Ca -0.14 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.75 1tkv n HIS 44 Cb 0.52 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.35 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 -0.15 2.66 -1.45 1.57 4.71 -1.26 -4.69 120.64 122.02 1tkv n GLU 45 Ca 0.00 -2.57 -0.16 0.00 -0.01 0.00 0.00 57.16 54.41 1tkv n GLU 45 Cb 0.00 -2.20 -0.07 0.00 -1.01 0.00 0.00 31.44 28.16 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 0.81 1.53 3.23 0.62 0.00 -1.26 -4.77 105.19 105.35 1tkv n GLY 46 Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.34 1.04 0.30 1.61 0.52 -1.26 -5.05 118.95 112.77 1tkv s ARG 47 Ca 0.00 -1.47 -0.28 0.00 -0.52 0.00 0.00 55.73 53.46 1tkv s ARG 47 Cb 0.00 -0.41 -0.09 0.00 0.52 0.00 0.00 34.95 34.97 1tkv s ARG 47 CO 0.00 -0.02 1.03 0.15 0.02 0.00 0.00 175.30 176.48 1tkv s LYS 48 N -3.83 4.58 -0.21 3.54 -0.14 -1.26 -2.95 119.74 119.47 1tkv s LYS 48 Ca 0.19 1.60 -0.12 0.00 -1.36 0.00 0.00 55.97 56.28 1tkv s LYS 48 Cb 0.05 -3.02 -0.05 0.00 -1.68 0.00 0.00 37.83 33.13 1tkv s LYS 48 CO 0.01 0.22 0.24 -1.17 -0.76 0.00 0.00 175.35 173.89 1tkv s LEU 49 N -1.72 4.16 0.18 3.17 0.20 -1.26 -4.88 118.68 118.54 1tkv s LEU 49 Ca 0.47 0.30 -0.01 0.00 0.69 0.00 0.00 54.13 55.58 1tkv s LEU 49 Cb -0.27 -2.25 -0.04 0.00 -0.43 0.00 0.00 46.19 43.20 1tkv s LEU 49 CO 0.34 0.06 0.37 0.20 -0.29 0.00 0.00 176.35 177.02 1tkv s ASN 50 N 0.83 6.39 0.28 3.68 0.01 -1.26 -4.89 114.94 119.98 1tkv s ASN 50 Ca 0.12 0.40 -0.02 0.00 -0.71 0.00 0.00 52.86 52.65 1tkv s ASN 50 Cb -0.13 -2.01 0.38 0.00 0.41 0.00 0.00 41.25 39.90 1tkv s ASN 50 CO 0.04 -0.01 1.87 1.56 -1.51 0.00 0.00 177.10 179.05 1tkv h GLN 51 N 2.19 0.98 0.23 -0.60 4.20 -1.97 0.24 115.11 120.38 1tkv h GLN 51 Ca -0.48 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.08 1tkv h GLN 51 Cb 1.19 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1tkv h GLN 51 CO 0.69 0.77 -0.11 -2.95 -0.67 0.00 0.00 178.83 176.56 1tkv h ASN 52 N 0.97 -0.27 1.00 1.46 -1.07 -2.00 -3.09 115.58 112.59 1tkv h ASN 52 Ca 0.23 -0.25 0.00 0.00 0.07 0.00 0.00 56.30 56.35 1tkv h ASN 52 Cb 0.13 0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.44 1tkv h ASN 52 CO -0.03 0.16 0.00 -1.20 0.07 0.00 0.00 177.43 176.44 1tkv n SER 53 N -5.04 0.09 0.20 6.14 7.64 -1.17 -2.32 113.62 119.17 1tkv n SER 53 Ca -0.09 0.51 -0.15 0.00 1.01 0.00 0.00 58.87 60.15 1tkv n SER 53 Cb 0.26 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.73 -0.18 1.43 3.57 -0.60 -2.73 116.94 117.70 1tkv h PHE 54 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1tkv h PHE 54 Cb 0.50 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1tkv h PHE 54 CO 0.00 -0.41 0.05 0.00 -2.23 0.00 0.00 178.31 175.72 1tkv h ARG 55 N -0.61 0.25 -0.01 1.11 3.08 -1.37 -1.43 114.38 115.40 1tkv h ARG 55 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1tkv h ARG 55 Cb 0.54 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1tkv h ARG 55 CO -0.03 0.23 0.01 1.57 -1.07 0.00 0.00 179.97 180.68 1tkv h LYS 56 N 0.25 0.02 -0.24 0.04 2.10 -1.52 -1.93 116.57 115.29 1tkv h LYS 56 Ca 0.06 -0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.76 1tkv h LYS 56 Cb 0.09 -0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.36 1tkv h LYS 56 CO -0.00 0.16 -0.13 -0.84 -2.00 0.00 0.00 179.45 176.64 1tkv h ILE 57 N -0.13 0.62 -0.04 0.07 3.07 -0.96 0.21 117.51 120.36 1tkv h ILE 57 Ca 0.00 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.28 1tkv h ILE 57 Cb 0.15 0.62 -0.01 0.00 -0.27 0.00 0.00 36.82 37.30 1tkv h ILE 57 CO -0.00 0.00 -0.61 -0.37 -1.05 0.00 0.00 178.15 176.12 1tkv h VAL 58 N -0.10 1.41 0.15 0.16 -1.51 -1.47 -3.34 116.25 111.55 1tkv h VAL 58 Ca 0.13 -2.03 -0.25 0.00 -1.23 0.00 0.00 66.70 63.32 1tkv h VAL 58 Cb 0.29 2.06 0.01 0.00 -2.13 0.00 0.00 31.29 31.53 1tkv h VAL 58 CO -0.30 0.59 -1.17 -1.28 -1.23 0.00 0.00 177.57 174.18 1tkv h SER 59 N 0.09 0.48 -0.11 4.19 0.87 -1.03 -3.40 113.55 114.64 1tkv h SER 59 Ca -0.01 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 1tkv h SER 59 Cb 1.09 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1tkv h SER 59 CO 0.09 1.54 0.00 -1.84 -0.53 0.00 0.00 176.83 176.09 1tkv n GLU 60 N -3.98 1.51 -1.57 2.24 0.28 0.72 -4.89 120.64 114.95 1tkv n GLU 60 Ca -0.19 -0.76 -0.40 0.00 -0.16 0.00 0.00 57.16 55.64 1tkv n GLU 60 Cb 0.90 -1.37 0.02 0.00 1.43 0.00 0.00 31.44 32.41 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 -0.02 2.16 -4.97 -1.84 4.77 -1.26 -5.01 117.00 110.83 1tkv n LEU 61 Ca 0.16 0.94 -0.26 0.00 -0.03 0.00 0.00 56.01 56.83 1tkv n LEU 61 Cb 0.25 -1.30 0.13 0.00 -2.33 0.00 0.00 43.42 40.17 1tkv n LEU 61 CO 0.13 -1.94 0.66 0.42 -1.33 0.00 0.00 177.39 175.33 1tkv s THR 62 N -1.39 2.11 0.08 -5.08 -4.23 -1.26 -4.93 115.64 100.94 1tkv s THR 62 Ca 0.66 -0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 60.61 1tkv s THR 62 Cb -0.53 -2.74 -0.09 0.00 1.34 0.00 0.00 72.50 70.48 1tkv s THR 62 CO 0.55 0.00 1.50 1.56 -0.54 0.00 0.00 174.62 177.69 1tkv h GLN 63 N -0.90 0.43 -0.99 3.99 4.20 -1.99 -2.42 115.11 117.43 1tkv h GLN 63 Ca -0.40 -0.15 0.15 0.00 0.06 0.00 0.00 58.65 58.32 1tkv h GLN 63 Cb 1.26 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.92 1tkv h GLN 63 CO 0.41 0.63 0.62 0.93 -0.67 0.00 0.00 178.83 180.75 1tkv h GLU 64 N 0.18 0.83 -0.19 1.46 5.08 -1.98 0.79 114.58 120.75 1tkv h GLU 64 Ca 0.06 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1tkv h GLU 64 Cb 0.45 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1tkv h GLU 64 CO 0.02 0.55 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.79 1tkv h ASP 65 N 0.85 0.41 0.79 1.42 3.32 -1.89 -0.32 116.42 121.00 1tkv h ASP 65 Ca 0.53 -0.16 -0.25 0.00 0.02 0.00 0.00 57.03 57.17 1tkv h ASP 65 Cb 0.71 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1tkv h ASP 65 CO -0.30 0.73 -1.22 0.11 -1.72 0.00 0.00 179.24 176.84 1tkv h LYS 66 N 0.34 0.08 -0.49 3.56 1.57 -0.91 -2.30 116.57 118.42 1tkv h LYS 66 Ca 0.04 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1tkv h LYS 66 Cb 0.77 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1tkv h LYS 66 CO 0.06 0.97 -0.15 0.87 -0.57 0.00 0.00 179.45 180.63 1tkv h LYS 67 N 0.02 0.94 -0.88 3.15 1.79 -0.78 -0.26 116.57 120.54 1tkv h LYS 67 Ca -0.10 -0.36 0.03 0.00 -2.18 0.00 0.00 60.65 58.04 1tkv h LYS 67 Cb 1.87 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 32.42 1tkv h LYS 67 CO 0.14 1.02 0.58 1.15 -1.08 0.00 0.00 179.45 181.26 1tkv h THR 68 N 0.83 1.16 -0.08 -0.16 2.02 -1.02 0.20 112.91 115.86 1tkv h THR 68 Ca 0.12 -0.38 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1tkv h THR 68 Cb 0.70 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1tkv h THR 68 CO 0.05 0.20 -0.54 -0.07 0.37 0.00 0.00 175.52 175.54 1tkv h LEU 69 N 1.12 0.60 -0.84 2.58 3.38 -1.23 -3.05 115.31 117.89 1tkv h LEU 69 Ca 0.35 -0.67 0.13 0.00 0.09 0.00 0.00 57.88 57.77 1tkv h LEU 69 Cb -0.01 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.48 1tkv h LEU 69 CO -0.10 1.18 0.45 0.40 0.09 0.00 0.00 178.44 180.46 1tkv h ILE 70 N 0.07 0.80 -0.20 1.22 2.04 -0.71 -0.22 117.51 120.51 1tkv h ILE 70 Ca -0.05 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1tkv h ILE 70 Cb 1.20 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1tkv h ILE 70 CO 0.11 0.13 0.12 0.44 0.00 0.00 0.00 178.15 178.94 1tkv h ASP 71 N 0.69 0.20 0.78 1.72 3.32 -0.65 -3.27 116.42 119.21 1tkv h ASP 71 Ca 0.44 -0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.27 1tkv h ASP 71 Cb 0.54 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 1tkv h ASP 71 CO -0.32 0.15 -1.33 -0.33 -1.72 0.00 0.00 179.24 175.69 1tkv h GLU 72 N 0.25 0.00 -2.20 3.56 5.08 -1.39 -3.40 114.58 116.48 1tkv h GLU 72 Ca 0.07 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.84 1tkv h GLU 72 Cb -0.01 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 28.82 1tkv h GLU 72 CO -0.03 0.52 -0.65 1.19 -1.00 0.00 0.00 179.01 179.04 1tkv n PHE 73 N -3.07 3.43 0.09 4.33 3.01 -0.12 -4.95 117.46 120.17 1tkv n PHE 73 Ca -0.09 -4.07 -0.04 0.00 1.01 0.00 0.00 57.45 54.26 1tkv n PHE 73 Cb 0.92 -0.52 -0.02 0.00 -0.01 0.00 0.00 39.48 39.85 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 3.79 -0.24 -0.16 4.37 2.35 -1.79 0.10 115.58 124.01 1tkv h ASN 74 Ca 0.17 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 1tkv h ASN 74 Cb 0.64 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1tkv h ASN 74 CO 0.80 -0.15 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.83 1tkv h GLU 75 N -0.24 0.63 0.81 0.81 5.08 -1.92 -3.01 114.58 116.74 1tkv h GLU 75 Ca -0.02 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1tkv h GLU 75 Cb 0.19 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1tkv h GLU 75 CO 0.02 0.84 -0.39 0.78 -1.00 0.00 0.00 179.01 179.26 1tkv h GLY 76 N 1.00 -1.14 1.58 -3.84 0.00 -1.94 -3.13 103.07 95.60 1tkv h GLY 76 Ca 0.07 0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.71 1tkv h GLY 76 CO 0.06 -0.41 -0.85 -2.75 0.00 0.00 0.00 176.54 172.59 1tkv h PHE 77 N -1.24 0.00 0.23 5.60 3.04 -0.92 0.70 116.94 124.36 1tkv h PHE 77 Ca -0.11 0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.84 1tkv h PHE 77 Cb 0.85 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 1tkv h PHE 77 CO -0.00 0.49 -0.26 0.93 -2.02 0.00 0.00 178.31 177.45 1tkv h GLU 78 N 0.00 -0.51 0.00 1.11 4.39 -1.66 -1.25 114.58 116.67 1tkv h GLU 78 Ca -0.06 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1tkv h GLU 78 Cb 1.42 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1tkv h GLU 78 CO 0.05 -0.34 0.00 0.41 -1.16 0.00 0.00 179.01 177.97 1tkv n GLY 79 N -1.38 -2.47 0.25 -3.84 0.00 -1.18 -3.17 105.19 93.40 1tkv n GLY 79 Ca -0.08 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.72 0.00 1.61 -1.51 -0.94 -1.48 116.25 114.65 1tkv h VAL 80 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1tkv h VAL 80 Cb 0.00 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1tkv h VAL 80 CO 0.00 0.15 -0.07 0.22 -1.23 0.00 0.00 177.57 176.64 1tkv h TYR 81 N 0.00 0.00 -0.25 5.19 3.20 -1.36 0.14 116.97 123.90 1tkv h TYR 81 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1tkv h TYR 81 Cb 0.37 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1tkv h TYR 81 CO 0.00 0.00 0.10 0.00 -1.64 0.00 0.00 178.16 176.62 1tkv h ARG 82 N 0.00 0.37 0.68 1.82 2.47 -1.22 -2.48 114.38 116.03 1tkv h ARG 82 Ca 0.00 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 1tkv h ARG 82 Cb 0.79 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.05 1tkv h ARG 82 CO 0.00 0.42 -0.33 1.88 0.56 0.00 0.00 179.97 182.50 1tkv h TYR 83 N 0.25 -0.85 -0.36 3.04 -1.99 -1.40 -2.41 116.97 113.25 1tkv h TYR 83 Ca 0.08 -0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.88 1tkv h TYR 83 Cb 0.18 0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.18 1tkv h TYR 83 CO -0.01 -0.51 0.25 -0.07 -0.00 0.00 0.00 178.16 177.82 1tkv h LEU 84 N -0.99 0.09 -0.01 3.88 3.38 -0.84 -2.60 115.31 118.22 1tkv h LEU 84 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1tkv h LEU 84 Cb 0.72 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1tkv h LEU 84 CO 0.15 0.06 -0.41 -0.08 0.09 0.00 0.00 178.44 178.25 1tkv h GLU 85 N 0.10 0.30 0.00 1.13 4.81 -1.01 -3.02 114.58 116.89 1tkv h GLU 85 Ca 0.17 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1tkv h GLU 85 Cb 0.54 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1tkv h GLU 85 CO -0.02 1.00 -0.14 0.00 -0.73 0.00 0.00 179.01 179.11 1tkv h MET 86 N -0.27 0.00 -0.01 1.92 -0.00 -1.31 -2.76 114.93 112.50 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 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 1tkv h MET 86 CO 0.08 0.00 -0.13 0.66 -0.00 0.00 0.00 176.91 177.53 1tkv n TYR 87 N -2.80 0.00 -3.20 -0.10 4.01 -0.99 -4.36 117.16 109.73 1tkv n TYR 87 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 1tkv n TYR 87 Cb 0.50 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 39.38 1tkv n TYR 87 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1tkv s THR 88 N -2.33 -0.45 -0.66 -0.72 -1.32 -1.04 -3.65 115.64 105.46 1tkv s THR 88 Ca 0.31 -1.20 0.05 0.00 -1.21 0.00 0.00 61.69 59.63 1tkv s THR 88 Cb 0.20 -0.53 0.16 0.00 -1.51 0.00 0.00 72.50 70.83 1tkv s THR 88 CO 0.45 -0.49 0.45 0.20 -2.21 0.00 0.00 174.62 173.01 1tkv s ASN 89 N 1.06 4.54 0.00 8.08 0.02 -1.21 -4.78 114.94 122.65 1tkv s ASN 89 Ca 0.23 -3.68 0.01 0.00 -1.02 0.00 0.00 52.86 48.40 1tkv s ASN 89 Cb -0.06 -1.55 0.01 0.00 0.02 0.00 0.00 41.25 39.66 1tkv s ASN 89 CO -0.07 -0.11 0.53 1.17 0.02 0.00 0.00 177.10 178.64