#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 2.23 0.18 3.52 1.02 -1.26 -4.94 119.74 120.50 1tkv s LYS 3 Ca 0.00 -1.79 0.04 0.00 0.02 0.00 0.00 55.97 54.24 1tkv s LYS 3 Cb 0.00 -2.01 0.05 0.00 -0.52 0.00 0.00 37.83 35.35 1tkv s LYS 3 CO 0.00 -0.06 1.42 -0.91 -0.92 0.00 0.00 175.35 174.88 1tkv h ASN 4 N 1.48 0.21 -0.58 2.83 2.35 -1.96 -3.04 115.58 116.87 1tkv h ASN 4 Ca -0.43 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.14 1tkv h ASN 4 Cb 1.25 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 1tkv h ASN 4 CO 0.69 0.94 0.28 -0.29 -1.65 0.00 0.00 177.43 177.39 1tkv h ILE 5 N 0.10 1.21 -0.29 2.81 2.10 -1.97 -0.26 117.51 121.21 1tkv h ILE 5 Ca -0.03 -0.59 -0.18 0.00 1.08 0.00 0.00 64.86 65.13 1tkv h ILE 5 Cb 1.43 0.53 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1tkv h ILE 5 CO 0.12 0.24 -0.54 0.44 -1.08 0.00 0.00 178.15 177.33 1tkv h ASP 6 N 0.79 0.96 -0.28 2.19 3.32 -1.97 -0.21 116.42 121.22 1tkv h ASP 6 Ca 0.20 -0.51 -0.18 0.00 0.02 0.00 0.00 57.03 56.56 1tkv h ASP 6 Cb 0.12 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1tkv h ASP 6 CO -0.02 1.31 -0.51 0.74 -1.72 0.00 0.00 179.24 179.03 1tkv h THR 7 N 0.66 1.28 -0.93 0.35 2.02 -1.47 -1.23 112.91 113.58 1tkv h THR 7 Ca 0.02 -1.69 0.17 0.00 0.77 0.00 0.00 66.41 65.68 1tkv h THR 7 Cb 1.15 1.58 -0.08 0.00 -1.74 0.00 0.00 68.15 69.06 1tkv h THR 7 CO 0.12 0.55 0.60 0.58 0.37 0.00 0.00 175.52 177.74 1tkv h VAL 8 N 0.67 0.75 -0.03 3.16 2.07 -0.96 -1.77 116.25 120.14 1tkv h VAL 8 Ca 0.02 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1tkv h VAL 8 Cb 1.11 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1tkv h VAL 8 CO 0.11 0.12 -0.07 -0.09 0.02 0.00 0.00 177.57 177.66 1tkv h ARG 9 N 0.63 0.11 -0.05 1.57 2.43 -0.57 0.11 114.38 118.61 1tkv h ARG 9 Ca 0.49 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.54 1tkv h ARG 9 Cb 0.91 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1tkv h ARG 9 CO -0.24 0.65 -0.22 1.05 -1.51 0.00 0.00 179.97 179.70 1tkv h GLU 10 N -0.43 0.08 0.00 0.20 4.11 -1.12 -2.11 114.58 115.32 1tkv h GLU 10 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1tkv h GLU 10 Cb 0.65 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1tkv h GLU 10 CO 0.02 0.30 -0.04 0.82 0.07 0.00 0.00 179.01 180.19 1tkv h ILE 11 N 0.08 0.00 0.32 -1.06 2.04 -1.26 -3.07 117.51 114.56 1tkv h ILE 11 Ca 0.01 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1tkv h ILE 11 Cb 0.44 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1tkv h ILE 11 CO 0.03 0.00 -0.15 0.40 0.00 0.00 0.00 178.15 178.43 1tkv h ILE 12 N 0.00 0.70 -0.75 -0.67 2.04 -0.30 -1.37 117.51 117.17 1tkv h ILE 12 Ca 0.00 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1tkv h ILE 12 Cb 0.98 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1tkv h ILE 12 CO 0.00 0.08 0.47 0.71 0.00 0.00 0.00 178.15 179.41 1tkv h THR 13 N -0.63 1.11 -0.59 -0.27 1.35 -1.53 -1.21 112.91 111.14 1tkv h THR 13 Ca -0.04 -0.32 0.09 0.00 -0.55 0.00 0.00 66.41 65.58 1tkv h THR 13 Cb 0.45 0.10 -0.07 0.00 -1.73 0.00 0.00 68.15 66.91 1tkv h THR 13 CO 0.07 0.17 0.22 0.58 -0.25 0.00 0.00 175.52 176.31 1tkv h VAL 14 N 0.93 0.79 -0.29 6.82 2.07 -1.56 -1.05 116.25 123.96 1tkv h VAL 14 Ca 0.30 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.54 1tkv h VAL 14 Cb 0.01 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1tkv h VAL 14 CO -0.11 0.07 -0.38 0.00 0.02 0.00 0.00 177.57 177.18 1tkv h ALA 15 N 1.40 0.80 0.00 1.67 0.00 -0.66 -2.88 119.26 119.58 1tkv h ALA 15 Ca 0.29 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1tkv h ALA 15 Cb 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1tkv h ALA 15 CO -0.29 0.65 -0.15 0.66 0.00 0.00 0.00 179.25 180.12 1tkv h SER 16 N 0.55 0.00 -0.18 0.00 4.64 -0.86 -2.22 113.55 115.49 1tkv h SER 16 Ca 0.05 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1tkv h SER 16 Cb 0.90 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.92 1tkv h SER 16 CO 0.08 0.15 -0.30 0.40 -0.87 0.00 0.00 176.83 176.29 1tkv h ILE 17 N 0.00 0.31 -0.88 0.95 1.08 -0.98 0.10 117.51 118.09 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 0.28 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 34.29 1tkv h ILE 17 CO 0.02 0.00 0.56 -0.07 -0.69 0.00 0.00 178.15 177.97 1tkv h LEU 18 N -0.34 0.92 -0.77 1.44 4.07 -1.36 -1.68 115.31 117.58 1tkv h LEU 18 Ca 0.11 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.95 1tkv h LEU 18 Cb 0.52 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1tkv h LEU 18 CO -0.38 0.62 -0.43 0.40 -1.08 0.00 0.00 178.44 177.57 1tkv h ILE 19 N 1.07 1.31 -0.93 1.22 2.04 -1.27 0.22 117.51 121.18 1tkv h ILE 19 Ca 0.36 -1.59 0.18 0.00 1.00 0.00 0.00 64.86 64.81 1tkv h ILE 19 Cb 0.07 1.65 -0.11 0.00 -0.74 0.00 0.00 36.82 37.69 1tkv h ILE 19 CO -0.14 0.49 0.51 0.50 0.00 0.00 0.00 178.15 179.51 1tkv h LYS 20 N 0.33 0.62 -0.49 2.37 3.64 -0.05 -1.47 116.57 121.53 1tkv h LYS 20 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1tkv h LYS 20 Cb 0.89 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1tkv h LYS 20 CO 0.07 0.41 0.00 1.19 -2.27 0.00 0.00 179.45 178.86 1tkv n PHE 21 N -4.86 0.65 -3.87 1.91 3.72 -0.70 -4.93 117.46 109.39 1tkv n PHE 21 Ca 0.21 -0.28 -0.30 0.00 -0.05 0.00 0.00 57.45 57.02 1tkv n PHE 21 Cb 0.54 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.52 -4.26 -2.92 4.37 2.88 -0.55 -4.91 113.62 108.74 1tkv n SER 22 Ca 0.13 -0.75 -0.30 0.00 -1.33 0.00 0.00 58.87 56.62 1tkv n SER 22 Cb 0.43 -3.44 -0.01 0.00 -0.75 0.00 0.00 64.21 60.43 1tkv n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tkv n ARG 23 N -4.40 3.59 0.00 -1.46 5.12 0.74 -4.81 116.66 115.45 1tkv n ARG 23 Ca 0.04 -4.63 0.06 0.00 -1.93 0.00 0.00 57.85 51.39 1tkv n ARG 23 Cb 0.52 -2.28 0.32 0.00 -1.16 0.00 0.00 32.46 29.86 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 -0.31 0.17 -0.29 5.56 -0.00 -1.26 -3.43 120.64 121.09 1tkv n GLU 24 Ca 0.37 0.18 0.20 0.00 -0.00 0.00 0.00 57.16 57.90 1tkv n GLU 24 Cb 0.43 -1.50 0.49 0.00 -0.00 0.00 0.00 31.44 30.85 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 0.47 0.03 -1.84 5.19 -1.94 0.43 116.42 118.76 1tkv h ASP 25 Ca 0.00 0.06 -0.18 0.00 -0.62 0.00 0.00 57.03 56.30 1tkv h ASP 25 Cb 0.13 -0.02 0.02 0.00 0.18 0.00 0.00 39.33 39.63 1tkv h ASP 25 CO 0.00 0.16 -0.70 0.40 -3.12 0.00 0.00 179.24 175.97 1tkv h ILE 26 N 0.45 1.42 -0.34 0.35 2.04 -1.93 -3.38 117.51 116.13 1tkv h ILE 26 Ca 0.53 -2.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 1tkv h ILE 26 Cb 1.25 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 1tkv h ILE 26 CO -0.24 0.64 0.02 0.58 0.00 0.00 0.00 178.15 179.15 1tkv h VAL 27 N -0.10 1.25 0.00 1.67 2.07 -1.42 -3.11 116.25 116.61 1tkv h VAL 27 Ca -0.10 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1tkv h VAL 27 Cb 1.43 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1tkv h VAL 27 CO 0.14 0.30 0.21 1.21 0.02 0.00 0.00 177.57 179.45 1tkv n GLU 28 N -4.55 0.09 -3.92 1.57 0.00 0.03 -4.36 120.64 109.50 1tkv n GLU 28 Ca -0.02 0.55 -0.29 0.00 0.00 0.00 0.00 57.16 57.40 1tkv n GLU 28 Cb 0.25 -1.99 -0.16 0.00 0.00 0.00 0.00 31.44 29.54 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 -3.43 3.05 0.06 4.31 3.84 -1.18 -4.83 114.94 116.76 1tkv s ASN 29 Ca -0.01 -0.76 -0.11 0.00 0.21 0.00 0.00 52.86 52.19 1tkv s ASN 29 Cb 0.04 -1.02 -0.02 0.00 -0.55 0.00 0.00 41.25 39.70 1tkv s ASN 29 CO 0.12 -0.18 0.82 -1.14 -2.79 0.00 0.00 177.10 173.93 1tkv n ARG 30 N 4.81 -0.16 -0.11 0.43 0.63 -1.23 -1.17 116.66 119.87 1tkv n ARG 30 Ca -0.13 0.81 -0.11 0.00 -0.92 0.00 0.00 57.85 57.51 1tkv n ARG 30 Cb 0.47 -1.20 -0.03 0.00 0.45 0.00 0.00 32.46 32.16 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 -0.09 0.44 -0.66 5.13 0.00 -1.93 -1.76 119.26 120.38 1tkv h ALA 31 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1tkv h ALA 31 Cb 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1tkv h ALA 31 CO -0.33 0.18 0.44 -0.91 0.00 0.00 0.00 179.25 178.62 1tkv h ASN 32 N 0.38 0.67 -0.05 0.00 2.35 -1.81 -0.47 115.58 116.65 1tkv h ASN 32 Ca 0.10 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1tkv h ASN 32 Cb 0.41 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1tkv h ASN 32 CO 0.01 0.45 0.02 0.15 -1.65 0.00 0.00 177.43 176.41 1tkv h PHE 33 N 0.77 0.08 -1.00 1.19 3.57 -0.77 0.23 116.94 121.02 1tkv h PHE 33 Ca 0.27 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.84 1tkv h PHE 33 Cb 0.11 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 1tkv h PHE 33 CO -0.00 0.25 0.64 0.82 -2.23 0.00 0.00 178.31 177.79 1tkv h ILE 34 N -0.11 1.04 0.02 1.41 2.04 -1.24 0.29 117.51 120.95 1tkv h ILE 34 Ca 0.02 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1tkv h ILE 34 Cb 0.21 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1tkv h ILE 34 CO -0.00 0.20 -0.01 0.00 0.00 0.00 0.00 178.15 178.35 1tkv h ALA 35 N 1.48 -0.02 -0.78 1.87 0.00 -0.89 -1.67 119.26 119.25 1tkv h ALA 35 Ca 0.45 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.47 1tkv h ALA 35 Cb 0.26 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 1tkv h ALA 35 CO -0.19 -0.50 0.39 0.35 0.00 0.00 0.00 179.25 179.29 1tkv h PHE 36 N -0.04 0.68 -0.63 0.00 3.57 -0.39 -1.50 116.94 118.63 1tkv h PHE 36 Ca -0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1tkv h PHE 36 Cb 0.04 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 1tkv h PHE 36 CO -0.07 0.19 0.38 -0.07 -2.23 0.00 0.00 178.31 176.51 1tkv h LEU 37 N 0.60 0.62 -0.91 0.59 3.38 0.06 -0.77 115.31 118.87 1tkv h LEU 37 Ca 0.41 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 1tkv h LEU 37 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1tkv h LEU 37 CO -0.33 0.43 -0.30 0.78 0.09 0.00 0.00 178.44 179.10 1tkv h ASN 38 N 0.75 0.00 -0.10 -0.43 2.35 -1.04 0.31 115.58 117.42 1tkv h ASN 38 Ca 0.26 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 1tkv h ASN 38 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1tkv h ASN 38 CO -0.11 0.30 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.65 1tkv h GLU 39 N 0.00 0.34 0.00 0.81 4.57 -0.72 -3.28 114.58 116.31 1tkv h GLU 39 Ca -0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1tkv h GLU 39 Cb 0.87 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1tkv h GLU 39 CO 0.04 0.84 -0.61 0.44 -1.18 0.00 0.00 179.01 178.54 1tkv n ILE 40 N -4.48 0.17 -0.80 2.32 -5.35 -0.35 -4.98 119.36 105.90 1tkv n ILE 40 Ca -0.07 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1tkv n ILE 40 Cb 0.44 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1tkv n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tkv n GLY 41 N 1.41 1.24 3.61 3.28 0.00 -0.10 -5.03 105.19 109.61 1tkv n GLY 41 Ca 0.04 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 3.64 -0.05 1.61 1.01 -0.10 -4.98 120.40 119.53 1tkv s VAL 42 Ca 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1tkv s VAL 42 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1tkv s VAL 42 CO 0.00 -0.49 0.10 0.42 0.00 0.00 0.00 175.10 175.13 1tkv s THR 43 N 6.15 4.98 0.00 3.92 -4.23 -1.26 -4.10 115.64 121.10 1tkv s THR 43 Ca 0.73 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 1tkv s THR 43 Cb -0.20 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1tkv s THR 43 CO 0.33 0.47 0.00 1.57 -0.54 0.00 0.00 174.62 176.45 1tkv n HIS 44 N 1.56 0.00 -1.58 3.99 -0.00 -0.51 -4.59 115.22 114.10 1tkv n HIS 44 Ca -0.16 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.70 1tkv n HIS 44 Cb 0.54 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.42 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 2.53 -0.06 1.57 1.02 -1.26 -3.70 120.64 120.74 1tkv n GLU 45 Ca 0.00 -2.89 0.00 0.00 -0.02 0.00 0.00 57.16 54.25 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 -0.03 1.77 3.83 0.62 0.00 -1.26 -4.93 105.19 105.18 1tkv n GLY 46 Ca 0.51 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.38 3.82 0.54 1.61 1.81 -1.26 -4.97 118.95 120.11 1tkv s ARG 47 Ca 0.00 0.19 -0.21 0.00 -1.72 0.00 0.00 55.73 53.98 1tkv s ARG 47 Cb 0.00 -3.24 -0.05 0.00 -0.45 0.00 0.00 34.95 31.21 1tkv s ARG 47 CO 0.00 0.64 1.29 0.15 -0.68 0.00 0.00 175.30 176.70 1tkv s LYS 48 N -0.80 3.22 -0.19 3.54 -0.14 -1.26 -1.42 119.74 122.69 1tkv s LYS 48 Ca 0.20 2.05 -0.23 0.00 -1.36 0.00 0.00 55.97 56.63 1tkv s LYS 48 Cb -0.15 -2.21 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 1tkv s LYS 48 CO 0.09 -1.07 0.73 -1.17 -0.76 0.00 0.00 175.35 173.16 1tkv s LEU 49 N -3.55 4.15 0.39 3.17 0.20 -1.26 -4.82 118.68 116.96 1tkv s LEU 49 Ca 0.71 0.99 -0.00 0.00 0.69 0.00 0.00 54.13 56.52 1tkv s LEU 49 Cb -0.36 -3.05 -0.03 0.00 -0.43 0.00 0.00 46.19 42.32 1tkv s LEU 49 CO 0.42 -0.34 0.60 0.20 -0.29 0.00 0.00 176.35 176.94 1tkv s ASN 50 N 1.19 6.19 0.23 3.68 0.01 -1.26 -4.82 114.94 120.16 1tkv s ASN 50 Ca 0.33 0.47 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 1tkv s ASN 50 Cb -0.16 -1.94 0.21 0.00 0.41 0.00 0.00 41.25 39.77 1tkv s ASN 50 CO 0.11 -0.42 1.53 1.56 -1.51 0.00 0.00 177.10 178.37 1tkv h GLN 51 N 0.61 0.14 0.08 -0.60 4.20 -1.97 0.26 115.11 117.82 1tkv h GLN 51 Ca -0.49 -0.11 -0.28 0.00 0.06 0.00 0.00 58.65 57.84 1tkv h GLN 51 Cb 1.22 0.02 0.03 0.00 0.30 0.00 0.00 27.48 29.05 1tkv h GLN 51 CO 0.60 0.77 -1.14 -2.95 -0.67 0.00 0.00 178.83 175.44 1tkv h ASN 52 N 0.09 0.87 1.18 1.46 7.08 -2.00 -3.08 115.58 121.18 1tkv h ASN 52 Ca -0.01 -0.80 -0.05 0.00 -3.08 0.00 0.00 56.30 52.36 1tkv h ASN 52 Cb 1.22 -0.27 -0.01 0.00 -2.08 0.00 0.00 38.32 37.18 1tkv h ASN 52 CO 0.10 1.57 -0.24 0.28 -2.08 0.00 0.00 177.43 177.06 1tkv h SER 53 N 0.28 0.00 0.25 6.14 0.02 -1.96 -2.63 113.55 115.65 1tkv h SER 53 Ca -0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1tkv h SER 53 Cb 1.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 1tkv h SER 53 CO 0.22 0.24 -0.17 0.15 -1.14 0.00 0.00 176.83 176.12 1tkv h PHE 54 N 0.00 -0.45 0.00 3.45 3.57 -0.56 -2.54 116.94 120.41 1tkv h PHE 54 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1tkv h PHE 54 Cb 0.89 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1tkv h PHE 54 CO 0.00 -0.27 -0.27 -0.09 -2.23 0.00 0.00 178.31 175.46 1tkv h ARG 55 N -0.42 0.00 -0.43 1.11 9.65 -1.40 -1.49 114.38 121.40 1tkv h ARG 55 Ca -0.02 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1tkv h ARG 55 Cb 0.36 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1tkv h ARG 55 CO 0.01 0.27 -0.02 1.57 2.80 0.00 0.00 179.97 184.59 1tkv h LYS 56 N 0.00 0.77 -0.28 0.20 2.10 -1.44 0.14 116.57 118.06 1tkv h LYS 56 Ca -0.00 -0.25 0.04 0.00 -2.00 0.00 0.00 60.65 58.43 1tkv h LYS 56 Cb 0.48 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 31.71 1tkv h LYS 56 CO 0.03 0.85 0.05 -0.84 -2.00 0.00 0.00 179.45 177.54 1tkv h ILE 57 N 0.60 0.85 0.13 0.07 3.07 -0.94 -1.85 117.51 119.45 1tkv h ILE 57 Ca 0.12 -0.05 -0.26 0.00 1.55 0.00 0.00 64.86 66.22 1tkv h ILE 57 Cb 0.52 0.69 0.03 0.00 -0.27 0.00 0.00 36.82 37.79 1tkv h ILE 57 CO 0.03 0.03 -1.10 -0.37 -1.05 0.00 0.00 178.15 175.69 1tkv h VAL 58 N 0.15 1.36 0.00 0.16 -1.51 -1.30 -3.40 116.25 111.71 1tkv h VAL 58 Ca 0.13 -2.47 -0.01 0.00 -1.23 0.00 0.00 66.70 63.13 1tkv h VAL 58 Cb 0.14 2.87 -0.00 0.00 -2.13 0.00 0.00 31.29 32.17 1tkv h VAL 58 CO -0.18 0.73 -0.08 -1.28 -1.23 0.00 0.00 177.57 175.53 1tkv h SER 59 N 0.05 0.00 -0.09 4.19 0.87 -0.72 -3.39 113.55 114.45 1tkv h SER 59 Ca -0.18 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 59.94 1tkv h SER 59 Cb 1.82 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 1tkv h SER 59 CO 0.21 0.76 0.01 -1.84 -0.53 0.00 0.00 176.83 175.45 1tkv n GLU 60 N -4.69 1.52 -1.46 2.24 0.28 -0.70 -4.85 120.64 112.98 1tkv n GLU 60 Ca -0.06 -0.46 -0.36 0.00 -0.16 0.00 0.00 57.16 56.12 1tkv n GLU 60 Cb 0.24 -1.55 0.08 0.00 1.43 0.00 0.00 31.44 31.63 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 0.11 3.80 -4.88 -1.84 4.77 -1.26 -5.02 117.00 112.68 1tkv n LEU 61 Ca 0.05 0.72 -0.29 0.00 -0.03 0.00 0.00 56.01 56.45 1tkv n LEU 61 Cb 0.43 -1.41 0.10 0.00 -2.33 0.00 0.00 43.42 40.20 1tkv n LEU 61 CO 0.05 -1.91 0.77 0.42 -1.33 0.00 0.00 177.39 175.40 1tkv s THR 62 N -1.69 2.00 0.23 -5.08 -4.23 -1.26 -4.94 115.64 100.67 1tkv s THR 62 Ca 0.75 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 1tkv s THR 62 Cb -0.37 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 70.74 1tkv s THR 62 CO 0.48 0.00 1.90 1.56 -0.54 0.00 0.00 174.62 178.02 1tkv h GLN 63 N -1.15 1.20 -0.08 3.99 4.20 -1.99 -2.37 115.11 118.90 1tkv h GLN 63 Ca -0.47 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.05 1tkv h GLN 63 Cb 1.33 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1tkv h GLN 63 CO 0.65 0.81 -0.44 0.93 -0.67 0.00 0.00 178.83 180.11 1tkv h GLU 64 N 1.23 0.19 -0.79 1.46 4.39 -1.97 -0.14 114.58 118.94 1tkv h GLU 64 Ca 0.33 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 1tkv h GLU 64 Cb -0.11 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 1tkv h GLU 64 CO -0.07 0.60 0.40 -0.44 -1.16 0.00 0.00 179.01 178.34 1tkv h ASP 65 N 0.15 1.02 -0.07 1.42 5.19 -1.88 0.22 116.42 122.46 1tkv h ASP 65 Ca 0.01 -0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.23 1tkv h ASP 65 Cb 0.84 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1tkv h ASP 65 CO 0.07 0.85 -0.25 0.11 -3.12 0.00 0.00 179.24 176.90 1tkv h LYS 66 N 1.11 0.30 -0.76 3.56 1.57 -1.18 -2.38 116.57 118.79 1tkv h LYS 66 Ca 0.27 -0.22 0.12 0.00 -1.87 0.00 0.00 60.65 58.95 1tkv h LYS 66 Cb 0.08 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1tkv h LYS 66 CO -0.04 0.85 0.50 0.87 -0.57 0.00 0.00 179.45 181.06 1tkv h LYS 67 N -0.20 0.55 -0.80 3.15 1.79 -0.98 -0.71 116.57 119.38 1tkv h LYS 67 Ca -0.01 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1tkv h LYS 67 Cb 0.88 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.37 1tkv h LYS 67 CO 0.05 0.37 0.33 1.15 -1.08 0.00 0.00 179.45 180.27 1tkv h THR 68 N 0.57 1.26 -0.17 -0.16 2.02 -0.22 0.14 112.91 116.35 1tkv h THR 68 Ca 0.36 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 1tkv h THR 68 Cb 0.63 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1tkv h THR 68 CO -0.13 0.33 -0.20 -0.07 0.37 0.00 0.00 175.52 175.82 1tkv h LEU 69 N 1.16 0.46 -0.64 2.58 3.38 -0.91 -2.96 115.31 118.38 1tkv h LEU 69 Ca 0.27 -0.50 0.13 0.00 0.09 0.00 0.00 57.88 57.88 1tkv h LEU 69 Cb 0.19 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.70 1tkv h LEU 69 CO -0.03 0.86 0.02 0.40 0.09 0.00 0.00 178.44 179.79 1tkv h ILE 70 N 0.07 0.48 -0.11 1.22 2.04 -0.87 0.23 117.51 120.56 1tkv h ILE 70 Ca 0.02 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 1tkv h ILE 70 Cb 0.75 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1tkv h ILE 70 CO 0.05 0.02 -0.27 0.44 0.00 0.00 0.00 178.15 178.39 1tkv h ASP 71 N 0.13 0.20 0.15 1.72 3.32 -0.97 -3.23 116.42 117.74 1tkv h ASP 71 Ca 0.34 -0.06 -0.36 0.00 0.02 0.00 0.00 57.03 56.97 1tkv h ASP 71 Cb 0.55 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 1tkv h ASP 71 CO -0.54 0.48 -2.10 -0.62 -1.72 0.00 0.00 179.24 174.74 1tkv n GLU 72 N -4.16 0.70 -3.10 3.56 -0.58 -0.98 -4.66 120.64 111.42 1tkv n GLU 72 Ca -0.01 0.21 -0.31 0.00 -0.42 0.00 0.00 57.16 56.63 1tkv n GLU 72 Cb 0.37 -1.66 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 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 -3.27 3.46 0.04 -0.32 3.01 0.77 -4.97 117.46 116.19 1tkv n PHE 73 Ca -0.33 -3.66 -0.02 0.00 1.01 0.00 0.00 57.45 54.46 1tkv n PHE 73 Cb 1.05 -0.73 -0.01 0.00 -0.01 0.00 0.00 39.48 39.78 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 3.99 -0.10 -0.08 4.37 -0.26 -1.78 -0.16 115.58 121.56 1tkv h ASN 74 Ca 0.22 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.92 1tkv h ASN 74 Cb 0.56 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 1tkv h ASN 74 CO 0.95 -0.07 -0.07 -0.08 -1.06 0.00 0.00 177.43 177.10 1tkv h GLU 75 N -0.11 0.34 0.41 0.81 4.81 -1.93 -2.86 114.58 116.06 1tkv h GLU 75 Ca -0.01 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1tkv h GLU 75 Cb 0.09 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1tkv h GLU 75 CO 0.02 0.44 -0.20 0.78 -0.73 0.00 0.00 179.01 179.32 1tkv h GLY 76 N 0.76 -0.58 2.00 1.92 0.00 -1.96 -3.16 103.07 102.06 1tkv h GLY 76 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1tkv h GLY 76 CO 0.02 -0.21 0.00 0.33 0.00 0.00 0.00 176.54 176.68 1tkv n PHE 77 N -5.15 0.63 0.42 5.60 -0.00 -0.08 -0.22 117.46 118.67 1tkv n PHE 77 Ca -0.07 0.20 -0.18 0.00 -0.00 0.00 0.00 57.45 57.40 1tkv n PHE 77 Cb 0.23 -0.83 -0.09 0.00 -0.00 0.00 0.00 39.48 38.80 1tkv n PHE 77 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1tkv h GLU 78 N 0.00 -1.07 0.29 -4.13 5.08 -1.57 -2.96 114.58 110.22 1tkv h GLU 78 Ca 0.00 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1tkv h GLU 78 Cb 0.57 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1tkv h GLU 78 CO 0.00 -0.72 -0.14 0.78 -1.00 0.00 0.00 179.01 177.94 1tkv h GLY 79 N -1.11 -0.41 2.00 -3.84 0.00 -1.44 -3.21 103.07 95.05 1tkv h GLY 79 Ca -0.11 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1tkv h GLY 79 CO 0.15 -0.15 -0.19 -0.39 0.00 0.00 0.00 176.54 175.96 1tkv h VAL 80 N -0.83 0.37 0.01 4.60 -1.51 -0.76 -2.93 116.25 115.20 1tkv h VAL 80 Ca -0.04 -1.28 -0.23 0.00 -1.23 0.00 0.00 66.70 63.91 1tkv h VAL 80 Cb 0.52 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1tkv h VAL 80 CO 0.07 0.19 -0.97 0.22 -1.23 0.00 0.00 177.57 175.85 1tkv h TYR 81 N 0.00 0.64 -0.73 5.19 3.20 -1.63 -0.96 116.97 122.68 1tkv h TYR 81 Ca -0.00 -0.35 0.16 0.00 3.14 0.00 0.00 58.73 61.68 1tkv h TYR 81 Cb 0.97 -0.07 -0.12 0.00 1.54 0.00 0.00 36.73 39.05 1tkv h TYR 81 CO 0.00 1.18 0.09 0.00 -1.64 0.00 0.00 178.16 177.79 1tkv h ARG 82 N 0.23 0.18 0.27 1.82 2.47 -1.52 0.89 114.38 118.73 1tkv h ARG 82 Ca -0.09 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1tkv h ARG 82 Cb 1.61 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.89 1tkv h ARG 82 CO 0.17 0.12 -0.13 1.88 0.56 0.00 0.00 179.97 182.57 1tkv h TYR 83 N 0.18 -0.34 -0.66 3.04 -1.99 -1.48 -2.43 116.97 113.29 1tkv h TYR 83 Ca 0.41 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 61.10 1tkv h TYR 83 Cb 0.71 0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.52 1tkv h TYR 83 CO -0.33 -0.12 0.29 -0.07 -0.00 0.00 0.00 178.16 177.93 1tkv h LEU 84 N -0.50 0.87 -0.60 3.88 3.38 -0.65 -2.71 115.31 118.96 1tkv h LEU 84 Ca -0.04 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1tkv h LEU 84 Cb 0.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1tkv h LEU 84 CO 0.06 0.76 -0.47 -0.08 0.09 0.00 0.00 178.44 178.80 1tkv h GLU 85 N 0.94 0.56 0.00 1.13 4.81 -0.78 -3.28 114.58 117.96 1tkv h GLU 85 Ca 0.23 -0.31 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 1tkv h GLU 85 Cb 0.15 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1tkv h GLU 85 CO -0.02 0.91 -0.70 0.00 -0.73 0.00 0.00 179.01 178.47 1tkv h MET 86 N 0.45 0.00 -0.00 1.92 -0.00 -1.25 -3.21 114.93 112.83 1tkv h MET 86 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1tkv h MET 86 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.59 1tkv h MET 86 CO 0.09 0.68 -0.05 0.66 -0.00 0.00 0.00 176.91 178.29 1tkv n TYR 87 N -3.27 0.00 -2.09 -0.10 4.01 -1.04 -3.64 117.16 111.03 1tkv n TYR 87 Ca 0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.78 1tkv n TYR 87 Cb 0.81 -0.15 0.04 0.00 -0.31 0.00 0.00 39.34 39.73 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 -0.96 0.38 -2.72 -0.72 5.66 -1.24 -3.49 114.28 111.19 1tkv n THR 88 Ca 0.17 -0.93 -0.43 0.00 -3.05 0.00 0.00 64.05 59.81 1tkv n THR 88 Cb 0.24 0.58 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 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 -1.80 6.80 0.00 1.09 0.01 -1.21 -5.08 114.94 114.75 1tkv s ASN 89 Ca 0.21 0.82 0.20 0.00 -0.71 0.00 0.00 52.86 53.38 1tkv s ASN 89 Cb 0.22 -2.50 1.21 0.00 0.41 0.00 0.00 41.25 40.59 1tkv s ASN 89 CO -0.08 -0.87 1.60 0.29 -1.51 0.00 0.00 177.10 176.53