#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 2.20 -0.02 3.52 3.01 -1.26 -5.07 119.74 122.12 1tkv s LYS 3 Ca 0.00 -1.37 -0.22 0.00 -1.01 0.00 0.00 55.97 53.37 1tkv s LYS 3 Cb 0.00 -2.16 -0.15 0.00 -1.01 0.00 0.00 37.83 34.51 1tkv s LYS 3 CO 0.00 0.39 1.00 -0.91 0.51 0.00 0.00 175.35 176.34 1tkv h ASN 4 N 2.28 -0.33 -0.74 2.83 2.35 -1.99 -3.36 115.58 116.61 1tkv h ASN 4 Ca -0.45 -0.20 0.09 0.00 -0.55 0.00 0.00 56.30 55.19 1tkv h ASN 4 Cb 1.23 0.09 -0.11 0.00 0.05 0.00 0.00 38.32 39.57 1tkv h ASN 4 CO 0.58 0.11 -0.50 -0.29 -1.65 0.00 0.00 177.43 175.69 1tkv h ILE 5 N -0.89 0.03 -0.96 2.81 2.10 -1.95 -2.49 117.51 116.16 1tkv h ILE 5 Ca -0.04 0.00 0.20 0.00 1.08 0.00 0.00 64.86 66.10 1tkv h ILE 5 Cb 0.52 0.03 -0.11 0.00 -1.09 0.00 0.00 36.82 36.16 1tkv h ILE 5 CO 0.07 0.00 0.55 0.44 -1.08 0.00 0.00 178.15 178.13 1tkv h ASP 6 N -0.15 0.67 -0.30 2.19 3.32 -1.99 0.13 116.42 120.29 1tkv h ASP 6 Ca 0.18 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.39 1tkv h ASP 6 Cb 0.53 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1tkv h ASP 6 CO -0.80 0.20 0.02 0.74 -1.72 0.00 0.00 179.24 177.68 1tkv h THR 7 N 0.66 0.80 0.62 0.35 2.02 -1.59 -0.05 112.91 115.73 1tkv h THR 7 Ca 0.57 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.68 1tkv h THR 7 Cb 0.93 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1tkv h THR 7 CO -0.41 0.02 -0.33 0.58 0.37 0.00 0.00 175.52 175.74 1tkv h VAL 8 N 0.11 0.00 -0.63 3.16 2.07 -0.72 -2.36 116.25 117.88 1tkv h VAL 8 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 1tkv h VAL 8 Cb 0.18 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.87 1tkv h VAL 8 CO -0.22 0.00 -0.35 -1.14 0.02 0.00 0.00 177.57 175.88 1tkv n ARG 9 N -4.49 -0.25 0.16 1.57 0.63 -0.37 -0.43 116.66 113.48 1tkv n ARG 9 Ca -0.11 0.95 0.01 0.00 -0.92 0.00 0.00 57.85 57.79 1tkv n ARG 9 Cb 0.36 -1.40 0.27 0.00 0.45 0.00 0.00 32.46 32.13 1tkv n ARG 9 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1tkv h GLU 10 N 0.00 0.00 -0.01 -0.14 4.11 -0.98 -2.09 114.58 115.47 1tkv h GLU 10 Ca 0.12 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.34 1tkv h GLU 10 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1tkv h GLU 10 CO -0.60 0.50 -0.89 0.82 0.07 0.00 0.00 179.01 178.91 1tkv h ILE 11 N 0.00 1.43 -0.14 -1.06 2.04 -0.94 -3.18 117.51 115.65 1tkv h ILE 11 Ca -0.00 -2.45 0.05 0.00 1.00 0.00 0.00 64.86 63.45 1tkv h ILE 11 Cb 0.91 2.38 -0.06 0.00 -0.74 0.00 0.00 36.82 39.31 1tkv h ILE 11 CO 0.06 0.73 -0.26 0.40 0.00 0.00 0.00 178.15 179.08 1tkv h ILE 12 N 0.20 0.38 -0.52 -0.67 2.04 -0.34 -0.60 117.51 117.99 1tkv h ILE 12 Ca -0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1tkv h ILE 12 Cb 1.51 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1tkv h ILE 12 CO 0.15 0.00 0.15 0.71 0.00 0.00 0.00 178.15 179.15 1tkv h THR 13 N -0.32 0.75 -0.53 -0.27 1.35 -1.41 0.29 112.91 112.77 1tkv h THR 13 Ca 0.10 -0.10 0.03 0.00 -0.55 0.00 0.00 66.41 65.90 1tkv h THR 13 Cb 0.48 0.43 -0.04 0.00 -1.73 0.00 0.00 68.15 67.29 1tkv h THR 13 CO -0.33 0.05 0.30 0.58 -0.25 0.00 0.00 175.52 175.88 1tkv h VAL 14 N 0.30 1.01 -0.50 6.82 2.07 -1.52 -2.66 116.25 121.78 1tkv h VAL 14 Ca 0.26 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1tkv h VAL 14 Cb 0.33 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1tkv h VAL 14 CO -0.30 0.11 -0.03 0.00 0.02 0.00 0.00 177.57 177.37 1tkv h ALA 15 N 1.26 1.02 0.00 1.67 0.00 0.09 -2.35 119.26 120.95 1tkv h ALA 15 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tkv h ALA 15 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1tkv h ALA 15 CO -0.12 0.60 0.00 -1.13 0.00 0.00 0.00 179.25 178.60 1tkv n SER 16 N -4.19 0.58 -0.06 0.00 3.41 0.89 -2.17 113.62 112.09 1tkv n SER 16 Ca 0.02 0.61 -0.16 0.00 -0.26 0.00 0.00 58.87 59.09 1tkv n SER 16 Cb 0.33 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.47 1tkv n SER 16 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1tkv h ILE 17 N 0.00 1.28 0.00 -1.33 1.08 -1.06 0.12 117.51 117.60 1tkv h ILE 17 Ca 0.00 -1.81 -0.04 0.00 -0.39 0.00 0.00 64.86 62.62 1tkv h ILE 17 Cb 0.45 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1tkv h ILE 17 CO 0.00 0.58 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.79 1tkv h LEU 18 N 0.57 0.00 0.10 1.44 3.38 -1.18 -1.02 115.31 118.60 1tkv h LEU 18 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1tkv h LEU 18 Cb 1.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.00 1tkv h LEU 18 CO 0.13 0.18 -0.64 0.40 0.09 0.00 0.00 178.44 178.61 1tkv h ILE 19 N 0.00 1.56 -0.81 1.22 2.04 -1.37 0.53 117.51 120.67 1tkv h ILE 19 Ca -0.00 -2.46 0.14 0.00 1.00 0.00 0.00 64.86 63.54 1tkv h ILE 19 Cb 0.40 3.18 -0.14 0.00 -0.74 0.00 0.00 36.82 39.53 1tkv h ILE 19 CO 0.02 0.69 -0.28 1.17 0.00 0.00 0.00 178.15 179.75 1tkv n LYS 20 N -4.23 -0.15 0.19 2.37 0.00 0.42 -0.94 118.16 115.82 1tkv n LYS 20 Ca -0.13 1.25 0.13 0.00 0.00 0.00 0.00 58.31 59.57 1tkv n LYS 20 Cb 0.74 -1.86 0.35 0.00 0.00 0.00 0.00 35.03 34.26 1tkv n LYS 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1tkv h PHE 21 N 0.00 0.00 -3.23 5.64 0.04 -1.26 -3.48 116.94 114.65 1tkv h PHE 21 Ca 0.32 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.97 1tkv h PHE 21 Cb 0.52 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.73 1tkv h PHE 21 CO -0.68 0.00 -0.27 0.45 -0.60 0.00 0.00 178.31 177.21 1tkv n SER 22 N -2.81 -2.16 -2.24 2.17 2.88 -0.12 -5.01 113.62 106.34 1tkv n SER 22 Ca 0.04 -0.22 -0.22 0.00 -1.33 0.00 0.00 58.87 57.14 1tkv n SER 22 Cb 0.44 -2.12 0.02 0.00 -0.75 0.00 0.00 64.21 61.79 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 -2.10 3.30 0.21 -1.46 5.12 0.17 -4.92 116.66 116.99 1tkv n ARG 23 Ca -0.09 -4.16 0.14 0.00 -1.93 0.00 0.00 57.85 51.81 1tkv n ARG 23 Cb 0.56 -2.17 0.77 0.00 -1.16 0.00 0.00 32.46 30.46 1tkv n ARG 23 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1tkv h GLU 24 N 2.36 0.00 -0.42 5.56 -0.00 -1.91 -3.19 114.58 116.98 1tkv h GLU 24 Ca 0.29 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.74 1tkv h GLU 24 Cb 1.34 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 30.01 1tkv h GLU 24 CO 0.72 0.00 -0.08 -0.25 -0.00 0.00 0.00 179.01 179.40 1tkv n ASP 25 N -2.50 -0.13 -0.12 3.06 8.00 -1.26 -0.74 116.55 122.87 1tkv n ASP 25 Ca -0.02 0.72 -0.11 0.00 0.71 0.00 0.00 54.79 56.09 1tkv n ASP 25 Cb 0.05 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1tkv n ASP 25 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1tkv h ILE 26 N 0.00 1.28 -0.38 0.53 2.04 -1.93 -3.21 117.51 115.84 1tkv h ILE 26 Ca 0.21 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1tkv h ILE 26 Cb 0.36 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1tkv h ILE 26 CO -0.42 0.38 -0.01 0.58 0.00 0.00 0.00 178.15 178.68 1tkv h VAL 27 N 0.46 1.22 0.00 1.67 2.07 -1.17 -3.03 116.25 117.46 1tkv h VAL 27 Ca 0.09 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1tkv h VAL 27 Cb 0.60 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1tkv h VAL 27 CO 0.04 0.30 -0.09 -0.08 0.02 0.00 0.00 177.57 177.76 1tkv h GLU 28 N 0.58 0.00 -4.96 1.57 4.81 -1.35 -3.40 114.58 111.83 1tkv h GLU 28 Ca 0.12 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.69 1tkv h GLU 28 Cb 0.38 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.49 1tkv h GLU 28 CO 0.01 0.09 -0.69 1.21 -0.73 0.00 0.00 179.01 178.91 1tkv s ASN 29 N -6.99 4.58 0.20 1.04 3.84 -1.23 -4.76 114.94 111.63 1tkv s ASN 29 Ca -0.04 -0.41 -0.20 0.00 0.21 0.00 0.00 52.86 52.42 1tkv s ASN 29 Cb 0.16 -1.79 0.16 0.00 -0.55 0.00 0.00 41.25 39.23 1tkv s ASN 29 CO 0.68 -0.05 1.57 -0.09 -2.79 0.00 0.00 177.10 176.42 1tkv h ARG 30 N 8.15 -0.09 0.00 0.43 2.43 -1.78 -0.42 114.38 123.10 1tkv h ARG 30 Ca -0.39 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1tkv h ARG 30 Cb 1.16 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1tkv h ARG 30 CO 0.60 -0.06 0.00 0.00 -1.51 0.00 0.00 179.97 179.00 1tkv h ALA 31 N 1.10 1.00 0.03 2.80 0.00 -1.93 -1.95 119.26 120.31 1tkv h ALA 31 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.91 1tkv h ALA 31 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1tkv h ALA 31 CO -0.83 0.00 -1.48 -0.91 0.00 0.00 0.00 179.25 176.04 1tkv h ASN 32 N 0.00 0.09 0.38 0.00 -0.26 -1.69 -1.54 115.58 112.56 1tkv h ASN 32 Ca 0.00 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.58 1tkv h ASN 32 Cb 0.84 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 1tkv h ASN 32 CO 0.00 1.12 -0.28 0.15 -1.06 0.00 0.00 177.43 177.36 1tkv h PHE 33 N 0.02 -0.75 -1.00 1.19 3.57 -0.97 -1.19 116.94 117.81 1tkv h PHE 33 Ca -0.20 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.35 1tkv h PHE 33 Cb 1.94 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 40.90 1tkv h PHE 33 CO 0.02 -0.42 0.65 0.82 -2.23 0.00 0.00 178.31 177.14 1tkv h ILE 34 N -0.66 1.11 -0.18 1.41 2.04 -1.40 0.30 117.51 120.13 1tkv h ILE 34 Ca -0.03 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1tkv h ILE 34 Cb 0.57 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1tkv h ILE 34 CO 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 178.15 178.37 1tkv h ALA 35 N 1.44 1.66 0.08 1.87 0.00 -1.23 -0.58 119.26 122.51 1tkv h ALA 35 Ca 0.42 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.96 1tkv h ALA 35 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1tkv h ALA 35 CO -0.16 0.26 -1.20 0.35 0.00 0.00 0.00 179.25 178.50 1tkv h PHE 36 N 0.26 0.33 -0.22 0.00 3.57 0.26 -2.51 116.94 118.63 1tkv h PHE 36 Ca 0.06 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 61.36 1tkv h PHE 36 Cb 0.19 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1tkv h PHE 36 CO 0.00 1.20 0.01 -0.07 -2.23 0.00 0.00 178.31 177.21 1tkv h LEU 37 N 0.05 -0.07 -2.35 0.59 3.38 -0.02 -0.80 115.31 116.08 1tkv h LEU 37 Ca -0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1tkv h LEU 37 Cb 1.91 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.74 1tkv h LEU 37 CO 0.17 -0.01 -0.03 0.78 0.09 0.00 0.00 178.44 179.44 1tkv h ASN 38 N 0.08 0.00 0.06 -0.43 2.35 -1.16 -1.59 115.58 114.89 1tkv h ASN 38 Ca 0.10 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 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 -0.17 0.03 -0.58 -0.08 -1.65 0.00 0.00 177.43 174.99 1tkv h GLU 39 N 0.00 0.13 -0.00 0.81 4.81 -0.81 -3.34 114.58 116.18 1tkv h GLU 39 Ca -0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1tkv h GLU 39 Cb 0.18 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1tkv h GLU 39 CO 0.00 1.10 -0.11 0.44 -0.73 0.00 0.00 179.01 179.72 1tkv n ILE 40 N -4.35 0.00 -2.56 2.32 -0.00 -0.41 -4.95 119.36 109.42 1tkv n ILE 40 Ca -0.16 -0.04 -0.07 0.00 -0.00 0.00 0.00 62.75 62.49 1tkv n ILE 40 Cb 0.67 -0.19 0.04 0.00 -0.00 0.00 0.00 39.64 40.15 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 1.32 0.10 3.60 3.28 0.00 -0.65 -4.99 105.19 107.85 1tkv n GLY 41 Ca 0.13 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.15 4.22 -0.19 1.61 1.01 -0.86 -4.99 120.40 118.05 1tkv s VAL 42 Ca 0.02 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.15 1tkv s VAL 42 Cb -0.00 -4.59 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 1tkv s VAL 42 CO 0.30 -1.00 -0.07 0.42 0.00 0.00 0.00 175.10 174.75 1tkv s THR 43 N 4.41 3.31 0.00 3.92 -4.23 -1.26 -4.65 115.64 117.14 1tkv s THR 43 Ca 0.47 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1tkv s THR 43 Cb -0.07 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1tkv s THR 43 CO 0.31 0.46 0.00 1.57 -0.54 0.00 0.00 174.62 176.43 1tkv n HIS 44 N 4.32 0.00 -2.46 3.99 -0.00 -0.53 -4.35 115.22 116.20 1tkv n HIS 44 Ca -0.18 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.60 1tkv n HIS 44 Cb 0.51 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.41 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 4.53 -1.00 1.57 1.02 -1.26 -4.58 120.64 120.91 1tkv n GLU 45 Ca 0.00 -4.36 0.00 0.00 -0.02 0.00 0.00 57.16 52.78 1tkv n GLU 45 Cb 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 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 -0.21 0.22 3.39 0.62 0.00 -1.26 -5.01 105.19 102.93 1tkv n GLY 46 Ca 0.48 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.13 1.45 0.87 1.61 1.81 -1.26 -5.05 118.95 117.25 1tkv s ARG 47 Ca 0.00 -1.71 -0.12 0.00 -1.72 0.00 0.00 55.73 52.18 1tkv s ARG 47 Cb 0.00 -1.06 0.15 0.00 -0.45 0.00 0.00 34.95 33.59 1tkv s ARG 47 CO 0.00 0.06 1.21 0.15 -0.68 0.00 0.00 175.30 176.04 1tkv s LYS 48 N -3.72 1.21 -0.17 3.54 1.02 -1.26 -1.45 119.74 118.91 1tkv s LYS 48 Ca 0.27 -0.40 -0.03 0.00 0.02 0.00 0.00 55.97 55.83 1tkv s LYS 48 Cb 0.03 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1tkv s LYS 48 CO 0.10 -1.99 -0.05 -0.51 -0.92 0.00 0.00 175.35 171.98 1tkv s LEU 49 N -5.65 3.11 0.36 3.17 1.02 -1.26 -4.79 118.68 114.64 1tkv s LEU 49 Ca 0.69 -0.21 -0.01 0.00 0.02 0.00 0.00 54.13 54.62 1tkv s LEU 49 Cb -0.06 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 1tkv s LEU 49 CO 0.50 0.12 0.59 0.20 0.02 0.00 0.00 176.35 177.78 1tkv s ASN 50 N 0.64 6.30 0.33 2.29 0.01 -1.26 -4.86 114.94 118.38 1tkv s ASN 50 Ca -0.03 0.54 0.07 0.00 -0.71 0.00 0.00 52.86 52.74 1tkv s ASN 50 Cb -0.15 -2.07 0.58 0.00 0.41 0.00 0.00 41.25 40.02 1tkv s ASN 50 CO 0.02 -0.33 1.79 1.56 -1.51 0.00 0.00 177.10 178.63 1tkv h GLN 51 N 0.72 0.28 -0.03 -0.60 4.20 -1.98 0.21 115.11 117.91 1tkv h GLN 51 Ca -0.49 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.09 1tkv h GLN 51 Cb 1.21 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1tkv h GLN 51 CO 0.62 0.53 -0.09 -2.95 -0.67 0.00 0.00 178.83 176.26 1tkv h ASN 52 N 0.25 0.14 -0.51 1.46 7.08 -2.00 -2.88 115.58 119.12 1tkv h ASN 52 Ca 0.04 -0.61 -0.02 0.00 -3.08 0.00 0.00 56.30 52.63 1tkv h ASN 52 Cb 0.60 -0.04 -0.03 0.00 -2.08 0.00 0.00 38.32 36.77 1tkv h ASN 52 CO 0.04 0.72 0.25 0.28 -2.08 0.00 0.00 177.43 176.65 1tkv h SER 53 N -0.43 0.70 -0.04 6.14 0.02 -1.96 -3.03 113.55 114.94 1tkv h SER 53 Ca -0.00 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1tkv h SER 53 Cb 0.71 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1tkv h SER 53 CO 0.02 0.61 -0.50 0.15 -1.14 0.00 0.00 176.83 175.96 1tkv h PHE 54 N 0.78 -1.49 0.00 3.45 3.57 -0.62 -2.74 116.94 119.88 1tkv h PHE 54 Ca 0.19 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1tkv h PHE 54 Cb 0.10 0.66 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1tkv h PHE 54 CO 0.01 -0.53 -0.02 -0.09 -2.23 0.00 0.00 178.31 175.45 1tkv h ARG 55 N -0.60 0.00 0.23 1.11 2.43 -1.46 -1.15 114.38 114.95 1tkv h ARG 55 Ca 0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1tkv h ARG 55 Cb 0.66 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1tkv h ARG 55 CO -0.36 0.02 -0.15 1.57 -1.51 0.00 0.00 179.97 179.54 1tkv h LYS 56 N 0.00 -0.36 0.06 0.20 2.10 -1.37 -2.56 116.57 114.64 1tkv h LYS 56 Ca -0.00 0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1tkv h LYS 56 Cb 0.11 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1tkv h LYS 56 CO 0.00 -0.24 -0.03 -0.84 -2.00 0.00 0.00 179.45 176.35 1tkv h ILE 57 N -0.37 1.00 -0.12 0.07 -2.65 -1.09 -0.83 117.51 113.52 1tkv h ILE 57 Ca -0.02 -0.18 -0.10 0.00 1.03 0.00 0.00 64.86 65.59 1tkv h ILE 57 Cb 0.31 1.12 -0.01 0.00 -2.05 0.00 0.00 36.82 36.19 1tkv h ILE 57 CO 0.02 0.05 -0.37 -0.37 0.03 0.00 0.00 178.15 177.51 1tkv h VAL 58 N -0.15 1.29 0.09 0.16 -1.51 -1.62 -3.35 116.25 111.16 1tkv h VAL 58 Ca -0.01 -1.41 -0.37 0.00 -1.23 0.00 0.00 66.70 63.69 1tkv h VAL 58 Cb 0.13 1.60 -0.03 0.00 -2.13 0.00 0.00 31.29 30.86 1tkv h VAL 58 CO 0.01 0.42 -2.08 -0.24 -1.23 0.00 0.00 177.57 174.45 1tkv n SER 59 N -4.06 1.97 -0.33 4.19 2.88 -0.96 -4.48 113.62 112.82 1tkv n SER 59 Ca -0.01 0.15 0.04 0.00 -1.33 0.00 0.00 58.87 57.71 1tkv n SER 59 Cb 0.45 -0.68 0.11 0.00 -0.75 0.00 0.00 64.21 63.34 1tkv n SER 59 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1tkv n GLU 60 N -3.39 1.42 -1.49 -1.46 0.28 -0.33 -4.89 120.64 110.77 1tkv n GLU 60 Ca -0.34 -0.65 -0.37 0.00 -0.16 0.00 0.00 57.16 55.64 1tkv n GLU 60 Cb 1.04 -1.16 0.06 0.00 1.43 0.00 0.00 31.44 32.81 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 0.01 2.50 -4.94 -1.84 4.77 -1.26 -5.04 117.00 111.20 1tkv n LEU 61 Ca 0.07 0.73 -0.24 0.00 -0.03 0.00 0.00 56.01 56.54 1tkv n LEU 61 Cb 0.16 -1.31 0.05 0.00 -2.33 0.00 0.00 43.42 39.99 1tkv n LEU 61 CO 0.05 -2.40 0.52 0.42 -1.33 0.00 0.00 177.39 174.65 1tkv s THR 62 N -1.67 2.56 0.36 -5.08 -4.23 -1.26 -4.98 115.64 101.33 1tkv s THR 62 Ca 0.73 -0.38 0.17 0.00 -1.18 0.00 0.00 61.69 61.02 1tkv s THR 62 Cb -0.40 -3.05 0.16 0.00 1.34 0.00 0.00 72.50 70.54 1tkv s THR 62 CO 0.51 -0.05 1.89 1.56 -0.54 0.00 0.00 174.62 177.99 1tkv h GLN 63 N -0.32 0.00 -0.76 3.99 1.08 -1.99 -2.85 115.11 114.26 1tkv h GLN 63 Ca -0.44 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.73 1tkv h GLN 63 Cb 1.30 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.70 1tkv h GLN 63 CO 0.58 0.29 0.36 0.93 -0.95 0.00 0.00 178.83 180.04 1tkv h GLU 64 N 0.00 1.08 -0.60 1.46 4.39 -1.98 0.17 114.58 119.10 1tkv h GLU 64 Ca -0.00 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1tkv h GLU 64 Cb 0.58 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1tkv h GLU 64 CO 0.04 0.83 0.27 -0.44 -1.16 0.00 0.00 179.01 178.55 1tkv h ASP 65 N 1.07 0.78 0.81 1.42 3.32 -1.89 -0.15 116.42 121.79 1tkv h ASP 65 Ca 0.26 -0.09 -0.24 0.00 0.02 0.00 0.00 57.03 56.98 1tkv h ASP 65 Cb 0.11 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1tkv h ASP 65 CO -0.03 0.68 -1.21 0.11 -1.72 0.00 0.00 179.24 177.07 1tkv h LYS 66 N 0.86 0.05 -0.53 3.56 1.57 -1.22 -2.44 116.57 118.41 1tkv h LYS 66 Ca 0.21 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1tkv h LYS 66 Cb 0.12 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1tkv h LYS 66 CO -0.02 0.94 0.06 0.87 -0.57 0.00 0.00 179.45 180.72 1tkv h LYS 67 N 0.01 0.86 -0.69 3.15 1.79 -0.62 -0.91 116.57 120.16 1tkv h LYS 67 Ca -0.10 -0.22 0.01 0.00 -2.18 0.00 0.00 60.65 58.17 1tkv h LYS 67 Cb 1.86 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 32.37 1tkv h LYS 67 CO 0.13 0.83 0.45 1.15 -1.08 0.00 0.00 179.45 180.93 1tkv h THR 68 N 0.81 1.16 0.06 -0.16 2.02 -0.87 0.26 112.91 116.20 1tkv h THR 68 Ca 0.16 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1tkv h THR 68 Cb 0.41 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1tkv h THR 68 CO 0.01 0.17 -0.03 -0.07 0.37 0.00 0.00 175.52 175.97 1tkv h LEU 69 N 0.92 -0.07 -0.95 2.58 3.38 -1.31 -2.92 115.31 116.94 1tkv h LEU 69 Ca 0.26 -0.34 0.19 0.00 0.09 0.00 0.00 57.88 58.08 1tkv h LEU 69 Cb -0.08 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.58 1tkv h LEU 69 CO -0.07 0.31 0.54 0.40 0.09 0.00 0.00 178.44 179.72 1tkv h ILE 70 N -0.45 0.68 -0.84 1.22 2.04 -0.93 0.11 117.51 119.34 1tkv h ILE 70 Ca -0.01 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1tkv h ILE 70 Cb 0.40 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 1tkv h ILE 70 CO 0.01 0.12 0.54 0.44 0.00 0.00 0.00 178.15 179.27 1tkv h ASP 71 N 0.68 0.91 0.26 1.72 3.32 -0.40 -3.26 116.42 119.65 1tkv h ASP 71 Ca 0.55 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 57.26 1tkv h ASP 71 Cb 0.87 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 1tkv h ASP 71 CO -0.40 0.64 -2.01 -0.62 -1.72 0.00 0.00 179.24 175.13 1tkv n GLU 72 N -4.54 0.67 -3.34 3.56 1.02 -0.82 -4.67 120.64 112.52 1tkv n GLU 72 Ca 0.10 0.20 -0.26 0.00 -0.02 0.00 0.00 57.16 57.17 1tkv n GLU 72 Cb 0.06 -1.68 -0.07 0.00 -0.02 0.00 0.00 31.44 29.73 1tkv n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tkv n PHE 73 N -3.05 2.78 0.00 -0.32 3.01 0.34 -4.96 117.46 115.25 1tkv n PHE 73 Ca -0.26 -4.02 0.00 0.00 1.01 0.00 0.00 57.45 54.18 1tkv n PHE 73 Cb 1.08 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 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 0.89 0.00 -0.21 4.37 5.03 -1.23 -1.02 115.26 123.09 1tkv n ASN 74 Ca 0.28 0.95 -0.08 0.00 0.87 0.00 0.00 54.58 56.60 1tkv n ASN 74 Cb 0.44 -0.45 0.03 0.00 -1.02 0.00 0.00 39.78 38.77 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1tkv h GLU 75 N 0.00 0.92 0.90 3.52 4.81 -1.93 -3.14 114.58 119.66 1tkv h GLU 75 Ca 0.00 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1tkv h GLU 75 Cb 0.00 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.26 1tkv h GLU 75 CO 0.00 0.83 -0.43 0.78 -0.73 0.00 0.00 179.01 179.46 1tkv h GLY 76 N 0.84 -1.26 0.85 1.92 0.00 -1.95 -3.22 103.07 100.26 1tkv h GLY 76 Ca 0.19 0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.88 1tkv h GLY 76 CO -0.01 -0.46 -0.32 -2.75 0.00 0.00 0.00 176.54 173.01 1tkv h PHE 77 N -1.30 0.65 -0.74 5.60 3.04 -1.21 -3.05 116.94 119.93 1tkv h PHE 77 Ca -0.12 -0.23 0.12 0.00 3.98 0.00 0.00 57.97 61.71 1tkv h PHE 77 Cb 0.92 -0.12 -0.13 0.00 2.56 0.00 0.00 35.95 39.18 1tkv h PHE 77 CO 0.01 0.96 -0.37 0.93 -2.02 0.00 0.00 178.31 177.81 1tkv h GLU 78 N 0.16 -0.11 0.69 1.11 5.08 -1.63 0.36 114.58 120.25 1tkv h GLU 78 Ca 0.01 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1tkv h GLU 78 Cb 0.91 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1tkv h GLU 78 CO 0.07 -0.07 -0.33 0.78 -1.00 0.00 0.00 179.01 178.46 1tkv h GLY 79 N -0.11 -0.97 2.00 -3.84 0.00 -1.62 -3.13 103.07 95.40 1tkv h GLY 79 Ca 0.27 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.94 1tkv h GLY 79 CO -0.79 -0.35 -0.10 -0.39 0.00 0.00 0.00 176.54 174.90 1tkv h VAL 80 N -0.98 0.44 0.00 4.60 -1.51 -1.33 -1.51 116.25 115.97 1tkv h VAL 80 Ca -0.10 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1tkv h VAL 80 Cb 0.71 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1tkv h VAL 80 CO 0.16 0.10 0.00 0.22 -1.23 0.00 0.00 177.57 176.82 1tkv h TYR 81 N 0.00 0.00 -0.41 5.19 3.20 -0.38 0.05 116.97 124.62 1tkv h TYR 81 Ca -0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1tkv h TYR 81 Cb 0.35 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1tkv h TYR 81 CO 0.00 0.00 0.01 0.00 -1.64 0.00 0.00 178.16 176.53 1tkv h ARG 82 N 0.00 0.73 0.35 1.82 2.47 -1.21 -2.92 114.38 115.62 1tkv h ARG 82 Ca 0.00 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.48 1tkv h ARG 82 Cb 0.79 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1tkv h ARG 82 CO 0.00 0.80 -0.17 1.88 0.56 0.00 0.00 179.97 183.05 1tkv h TYR 83 N 0.56 -0.43 -0.07 3.04 -1.99 -1.32 -2.14 116.97 114.61 1tkv h TYR 83 Ca 0.12 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.87 1tkv h TYR 83 Cb 0.47 0.14 -0.06 0.00 2.00 0.00 0.00 36.73 39.28 1tkv h TYR 83 CO 0.04 -0.13 -0.51 -0.07 -0.00 0.00 0.00 178.16 177.49 1tkv h LEU 84 N -0.73 -1.60 -0.88 3.88 3.38 -1.16 -2.45 115.31 115.75 1tkv h LEU 84 Ca -0.05 0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.30 1tkv h LEU 84 Cb 0.50 0.62 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 1tkv h LEU 84 CO 0.08 -0.49 0.42 -0.33 0.09 0.00 0.00 178.44 178.21 1tkv h GLU 85 N -0.61 0.50 0.00 1.13 4.39 -1.39 -0.79 114.58 117.82 1tkv h GLU 85 Ca 0.03 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1tkv h GLU 85 Cb 0.69 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1tkv h GLU 85 CO -0.39 0.33 -0.60 0.00 -1.16 0.00 0.00 179.01 177.19 1tkv h MET 86 N 0.52 0.00 -0.00 2.33 -0.00 -1.20 -3.04 114.93 113.53 1tkv h MET 86 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.21 1tkv h MET 86 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.46 1tkv h MET 86 CO -0.44 0.60 -0.19 0.66 -0.00 0.00 0.00 176.91 177.53 1tkv n TYR 87 N -3.30 0.00 -0.35 -0.10 4.01 -0.39 -2.27 117.16 114.77 1tkv n TYR 87 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1tkv n TYR 87 Cb 0.75 -0.25 0.19 0.00 -0.31 0.00 0.00 39.34 39.72 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 -1.14 1.26 -2.33 -0.72 5.66 -0.68 -3.78 114.28 112.54 1tkv n THR 88 Ca 0.11 -1.17 -0.43 0.00 -3.05 0.00 0.00 64.05 59.51 1tkv n THR 88 Cb 0.31 0.35 -0.02 0.00 -1.55 0.00 0.00 70.33 69.42 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 -1.16 6.28 0.00 1.09 0.01 -0.96 -5.05 114.94 115.14 1tkv s ASN 89 Ca 0.29 0.78 0.28 0.00 -0.71 0.00 0.00 52.86 53.50 1tkv s ASN 89 Cb 0.17 -2.54 1.12 0.00 0.41 0.00 0.00 41.25 40.41 1tkv s ASN 89 CO 0.15 -1.49 1.78 1.17 -1.51 0.00 0.00 177.10 177.21