#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkv n LYS 3 N 0.00 1.43 -0.23 3.52 4.76 -1.26 -4.93 118.16 121.46 1tkv n LYS 3 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1tkv n LYS 3 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1tkv n LYS 3 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1tkv h ASN 4 N 0.00 -0.97 -0.51 4.39 -1.07 -1.99 -2.74 115.58 112.69 1tkv h ASN 4 Ca 0.00 0.22 -0.09 0.00 0.07 0.00 0.00 56.30 56.51 1tkv h ASN 4 Cb 0.00 0.53 -0.02 0.00 -2.07 0.00 0.00 38.32 36.76 1tkv h ASN 4 CO 0.00 -0.28 -0.02 -0.29 0.07 0.00 0.00 177.43 176.91 1tkv h ILE 5 N -0.09 1.27 -0.39 6.14 -0.00 -1.95 -0.45 117.51 122.03 1tkv h ILE 5 Ca 0.28 -1.12 -0.08 0.00 -0.00 0.00 0.00 64.86 63.93 1tkv h ILE 5 Cb 0.54 0.96 -0.02 0.00 -0.00 0.00 0.00 36.82 38.31 1tkv h ILE 5 CO -0.71 0.40 -0.10 0.44 -0.00 0.00 0.00 178.15 178.17 1tkv h ASP 6 N 0.79 0.67 -0.03 2.19 3.32 -1.93 -0.06 116.42 121.37 1tkv h ASP 6 Ca 0.14 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1tkv h ASP 6 Cb 0.55 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.93 1tkv h ASP 6 CO 0.03 0.81 -0.39 0.74 -1.72 0.00 0.00 179.24 178.71 1tkv h THR 7 N 0.63 1.46 -1.06 0.35 2.02 -1.28 -3.13 112.91 111.90 1tkv h THR 7 Ca 0.11 -1.89 0.28 0.00 0.77 0.00 0.00 66.41 65.68 1tkv h THR 7 Cb 0.55 2.52 -0.10 0.00 -1.74 0.00 0.00 68.15 69.38 1tkv h THR 7 CO 0.03 0.54 0.68 0.58 0.37 0.00 0.00 175.52 177.72 1tkv h VAL 8 N -0.23 0.50 1.00 3.16 2.07 -1.00 -2.14 116.25 119.61 1tkv h VAL 8 Ca -0.04 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1tkv h VAL 8 Cb 1.08 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1tkv h VAL 8 CO 0.08 0.07 -0.48 -0.09 0.02 0.00 0.00 177.57 177.17 1tkv h ARG 9 N 0.38 -1.30 -0.05 1.57 2.43 -0.95 0.31 114.38 116.78 1tkv h ARG 9 Ca 0.61 0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.83 1tkv h ARG 9 Cb 1.57 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 31.40 1tkv h ARG 9 CO -0.31 -0.86 -0.17 1.05 -1.51 0.00 0.00 179.97 178.16 1tkv h GLU 10 N -1.35 0.07 0.00 0.20 4.11 -1.46 -2.44 114.58 113.71 1tkv h GLU 10 Ca -0.14 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.13 1tkv h GLU 10 Cb 1.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1tkv h GLU 10 CO 0.23 0.25 -0.68 0.82 0.07 0.00 0.00 179.01 179.69 1tkv h ILE 11 N 0.07 1.48 0.40 -1.06 2.04 -1.26 -2.71 117.51 116.49 1tkv h ILE 11 Ca 0.01 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.51 1tkv h ILE 11 Cb 0.35 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1tkv h ILE 11 CO 0.02 0.67 -0.36 0.40 0.00 0.00 0.00 178.15 178.89 1tkv h ILE 12 N 0.00 0.27 -0.53 -0.67 2.04 -0.45 -0.66 117.51 117.50 1tkv h ILE 12 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1tkv h ILE 12 Cb 1.22 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1tkv h ILE 12 CO 0.09 0.00 0.18 0.71 0.00 0.00 0.00 178.15 179.13 1tkv h THR 13 N -0.77 0.80 -0.87 -0.27 1.35 -1.55 -0.68 112.91 110.92 1tkv h THR 13 Ca -0.03 -0.12 0.06 0.00 -0.55 0.00 0.00 66.41 65.77 1tkv h THR 13 Cb 0.68 0.41 -0.06 0.00 -1.73 0.00 0.00 68.15 67.45 1tkv h THR 13 CO -0.03 0.06 0.57 0.58 -0.25 0.00 0.00 175.52 176.45 1tkv h VAL 14 N 0.35 1.07 -0.05 6.82 2.07 -1.42 -2.11 116.25 122.97 1tkv h VAL 14 Ca 0.26 -0.34 -0.22 0.00 0.82 0.00 0.00 66.70 67.22 1tkv h VAL 14 Cb 0.30 -0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1tkv h VAL 14 CO -0.27 0.18 -0.84 0.00 0.02 0.00 0.00 177.57 176.66 1tkv h ALA 15 N 1.53 0.17 -0.11 1.67 0.00 -0.20 -3.08 119.26 119.24 1tkv h ALA 15 Ca 0.37 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1tkv h ALA 15 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1tkv h ALA 15 CO -0.13 0.59 0.08 0.66 0.00 0.00 0.00 179.25 180.44 1tkv h SER 16 N 0.32 0.10 -0.47 0.00 4.64 -0.95 -0.96 113.55 116.23 1tkv h SER 16 Ca -0.09 -0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1tkv h SER 16 Cb 1.50 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 63.49 1tkv h SER 16 CO 0.17 0.07 0.03 0.40 -0.87 0.00 0.00 176.83 176.64 1tkv h ILE 17 N 0.12 0.67 -0.47 0.95 1.08 -1.34 0.26 117.51 118.78 1tkv h ILE 17 Ca 0.04 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 1tkv h ILE 17 Cb 0.03 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 34.24 1tkv h ILE 17 CO -0.01 0.03 0.20 -0.07 -0.69 0.00 0.00 178.15 177.61 1tkv h LEU 18 N 0.15 0.26 -1.11 1.44 4.07 -1.11 -1.76 115.31 117.24 1tkv h LEU 18 Ca 0.24 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 1tkv h LEU 18 Cb 0.34 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 1tkv h LEU 18 CO -0.36 0.18 0.32 0.40 -1.08 0.00 0.00 178.44 177.90 1tkv h ILE 19 N 0.40 1.21 -0.75 1.22 2.04 -0.99 0.18 117.51 120.84 1tkv h ILE 19 Ca 0.21 -0.60 0.17 0.00 1.00 0.00 0.00 64.86 65.64 1tkv h ILE 19 Cb 0.17 0.36 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 1tkv h ILE 19 CO -0.18 0.25 0.16 0.50 0.00 0.00 0.00 178.15 178.88 1tkv h LYS 20 N 0.94 0.24 -0.16 2.37 3.64 -0.04 -0.77 116.57 122.79 1tkv h LYS 20 Ca 0.23 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1tkv h LYS 20 Cb 0.10 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1tkv h LYS 20 CO -0.03 0.16 0.00 1.19 -2.27 0.00 0.00 179.45 178.50 1tkv n PHE 21 N -5.18 0.21 -2.54 1.91 3.72 -0.70 -4.90 117.46 109.97 1tkv n PHE 21 Ca 0.15 -0.10 -0.20 0.00 -0.05 0.00 0.00 57.45 57.24 1tkv n PHE 21 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 -0.04 -5.66 -2.77 4.37 2.88 -0.29 -4.93 113.62 107.18 1tkv n SER 22 Ca 0.08 -0.09 -0.33 0.00 -1.33 0.00 0.00 58.87 57.20 1tkv n SER 22 Cb 0.16 -4.64 0.01 0.00 -0.75 0.00 0.00 64.21 59.00 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 -3.13 3.29 0.00 -1.46 5.12 0.59 -4.72 116.66 116.35 1tkv n ARG 23 Ca -0.20 -4.17 0.15 0.00 -1.93 0.00 0.00 57.85 51.71 1tkv n ARG 23 Cb 0.66 -2.27 0.85 0.00 -1.16 0.00 0.00 32.46 30.54 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 -0.46 0.78 -0.36 5.56 -0.00 -1.26 -2.94 120.64 121.96 1tkv n GLU 24 Ca 0.45 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.66 1tkv n GLU 24 Cb 0.44 -1.50 0.21 0.00 -0.00 0.00 0.00 31.44 30.60 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 0.95 -0.17 -1.84 3.32 -1.95 -2.16 116.42 114.58 1tkv h ASP 25 Ca 0.00 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1tkv h ASP 25 Cb 0.09 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1tkv h ASP 25 CO 0.00 0.54 -0.41 0.40 -1.72 0.00 0.00 179.24 178.05 1tkv h ILE 26 N 1.04 1.29 -0.17 0.35 2.04 -1.93 -3.23 117.51 116.90 1tkv h ILE 26 Ca 0.47 -1.58 -0.16 0.00 1.00 0.00 0.00 64.86 64.59 1tkv h ILE 26 Cb 0.38 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1tkv h ILE 26 CO -0.23 0.51 -0.57 0.58 0.00 0.00 0.00 178.15 178.44 1tkv h VAL 27 N 0.58 1.33 0.00 1.67 2.07 -1.64 -3.32 116.25 116.94 1tkv h VAL 27 Ca 0.05 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1tkv h VAL 27 Cb 0.95 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1tkv h VAL 27 CO 0.09 0.57 0.00 1.21 0.02 0.00 0.00 177.57 179.45 1tkv n GLU 28 N -3.94 0.00 -3.79 1.57 2.13 -0.85 -4.51 120.64 111.25 1tkv n GLU 28 Ca -0.03 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.66 1tkv n GLU 28 Cb 0.61 -1.40 -0.09 0.00 0.27 0.00 0.00 31.44 30.83 1tkv n GLU 28 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1tkv s ASN 29 N -1.85 -0.17 0.14 4.31 3.84 -1.25 -4.77 114.94 115.18 1tkv s ASN 29 Ca 0.00 0.13 -0.26 0.00 0.21 0.00 0.00 52.86 52.94 1tkv s ASN 29 Cb 0.00 0.35 -0.01 0.00 -0.55 0.00 0.00 41.25 41.04 1tkv s ASN 29 CO 0.00 -0.36 1.60 0.08 -2.79 0.00 0.00 177.10 175.63 1tkv h ARG 30 N 4.35 -0.38 0.24 0.43 0.11 -1.60 -3.18 114.38 114.35 1tkv h ARG 30 Ca -0.29 0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 1tkv h ARG 30 Cb 1.18 0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1tkv h ARG 30 CO 0.38 -0.25 -0.11 0.00 0.10 0.00 0.00 179.97 180.09 1tkv h ALA 31 N 0.40 -0.32 -0.96 0.08 0.00 -1.94 -1.01 119.26 115.53 1tkv h ALA 31 Ca 0.11 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.12 1tkv h ALA 31 Cb 0.57 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1tkv h ALA 31 CO -0.40 -0.57 0.65 -0.91 0.00 0.00 0.00 179.25 178.02 1tkv h ASN 32 N -0.53 0.23 0.03 0.00 4.21 -1.85 0.89 115.58 118.56 1tkv h ASN 32 Ca -0.03 0.03 -0.16 0.00 1.21 0.00 0.00 56.30 57.35 1tkv h ASN 32 Cb 0.39 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.60 1tkv h ASN 32 CO 0.05 0.07 -0.66 0.15 -1.29 0.00 0.00 177.43 175.75 1tkv h PHE 33 N 0.22 0.60 -0.98 1.19 3.57 -1.38 -2.14 116.94 118.01 1tkv h PHE 33 Ca 0.49 -0.35 0.12 0.00 3.53 0.00 0.00 57.97 61.75 1tkv h PHE 33 Cb 1.55 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 40.15 1tkv h PHE 33 CO -0.00 1.19 0.62 0.82 -2.23 0.00 0.00 178.31 178.71 1tkv h ILE 34 N -0.16 0.93 0.10 1.41 2.04 -0.70 0.17 117.51 121.31 1tkv h ILE 34 Ca -0.09 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1tkv h ILE 34 Cb 1.40 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1tkv h ILE 34 CO 0.13 0.18 -0.05 0.00 0.00 0.00 0.00 178.15 178.40 1tkv h ALA 35 N 1.54 -0.14 -0.86 1.87 0.00 -0.80 -1.91 119.26 118.97 1tkv h ALA 35 Ca 0.48 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.48 1tkv h ALA 35 Cb 0.48 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.19 1tkv h ALA 35 CO -0.24 -0.47 0.26 0.35 0.00 0.00 0.00 179.25 179.15 1tkv h PHE 36 N -0.35 0.41 -0.96 0.00 3.57 -1.15 -0.41 116.94 118.05 1tkv h PHE 36 Ca -0.01 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1tkv h PHE 36 Cb 0.29 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 1tkv h PHE 36 CO -0.00 -0.15 0.61 -0.07 -2.23 0.00 0.00 178.31 176.47 1tkv h LEU 37 N 0.27 0.93 0.00 0.59 3.38 0.09 -0.52 115.31 120.04 1tkv h LEU 37 Ca 0.53 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 1tkv h LEU 37 Cb 1.02 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1tkv h LEU 37 CO -0.60 0.56 -0.32 0.78 0.09 0.00 0.00 178.44 178.95 1tkv h ASN 38 N 1.03 0.00 -0.29 -0.43 2.35 -0.86 -0.72 115.58 116.66 1tkv h ASN 38 Ca 0.43 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.05 1tkv h ASN 38 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1tkv h ASN 38 CO -0.19 0.05 -0.33 -0.08 -1.65 0.00 0.00 177.43 175.23 1tkv h GLU 39 N 0.00 0.73 0.00 0.81 4.81 0.11 -3.31 114.58 117.73 1tkv h GLU 39 Ca -0.00 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1tkv h GLU 39 Cb 1.04 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1tkv h GLU 39 CO 0.01 1.02 -1.53 0.44 -0.73 0.00 0.00 179.01 178.22 1tkv n ILE 40 N -4.23 0.35 -1.40 2.32 -0.00 -0.32 -5.03 119.36 111.05 1tkv n ILE 40 Ca -0.04 -0.53 0.00 0.00 -0.00 0.00 0.00 62.75 62.18 1tkv n ILE 40 Cb 0.50 -0.19 0.00 0.00 -0.00 0.00 0.00 39.64 39.95 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 1.23 0.63 3.75 3.28 0.00 -0.40 -5.08 105.19 108.61 1tkv n GLY 41 Ca -0.03 -0.35 -0.40 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 -2.41 4.74 0.28 1.61 1.01 -0.50 -5.02 120.40 120.11 1tkv s VAL 42 Ca 0.00 1.61 0.11 0.00 0.00 0.00 0.00 61.98 63.70 1tkv s VAL 42 Cb 0.00 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1tkv s VAL 42 CO 0.00 0.36 -0.08 0.42 0.00 0.00 0.00 175.10 175.80 1tkv s THR 43 N -0.05 3.01 0.00 3.92 -4.23 -1.26 -4.52 115.64 112.51 1tkv s THR 43 Ca 0.38 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1tkv s THR 43 Cb -0.20 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1tkv s THR 43 CO 0.23 -0.38 0.00 1.57 -0.54 0.00 0.00 174.62 175.50 1tkv n HIS 44 N -0.79 0.00 -1.95 3.99 -0.00 -0.97 -4.64 115.22 110.87 1tkv n HIS 44 Ca -0.06 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.76 1tkv n HIS 44 Cb 0.60 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.46 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 3.57 -0.98 1.57 1.02 -1.26 -4.61 120.64 119.96 1tkv n GLU 45 Ca 0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 57.16 53.76 1tkv n GLU 45 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 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 0.46 0.50 3.46 0.62 0.00 -1.26 -5.02 105.19 103.95 1tkv n GLY 46 Ca 0.53 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.34 1.92 0.08 1.61 0.52 -1.26 -5.03 118.95 116.45 1tkv s ARG 47 Ca 0.00 -1.08 -0.31 0.00 -0.52 0.00 0.00 55.73 53.82 1tkv s ARG 47 Cb 0.00 -2.14 -0.08 0.00 0.52 0.00 0.00 34.95 33.25 1tkv s ARG 47 CO 0.00 0.51 1.55 0.15 0.02 0.00 0.00 175.30 177.53 1tkv s LYS 48 N -1.72 4.24 -0.13 3.54 -0.14 -1.26 -2.28 119.74 121.99 1tkv s LYS 48 Ca 0.16 2.22 -0.24 0.00 -1.36 0.00 0.00 55.97 56.75 1tkv s LYS 48 Cb -0.10 -3.46 -0.03 0.00 -1.68 0.00 0.00 37.83 32.56 1tkv s LYS 48 CO 0.07 -0.63 0.75 -1.17 -0.76 0.00 0.00 175.35 173.61 1tkv s LEU 49 N 2.07 4.23 0.28 3.17 0.20 -1.26 -4.92 118.68 122.44 1tkv s LEU 49 Ca 0.70 1.13 -0.18 0.00 0.69 0.00 0.00 54.13 56.47 1tkv s LEU 49 Cb -0.38 -3.12 -0.09 0.00 -0.43 0.00 0.00 46.19 42.17 1tkv s LEU 49 CO 0.31 -0.27 0.75 0.21 -0.29 0.00 0.00 176.35 177.05 1tkv s ASN 50 N 1.03 6.92 0.17 3.68 3.84 -1.26 -4.86 114.94 124.46 1tkv s ASN 50 Ca 0.37 1.37 -0.16 0.00 0.21 0.00 0.00 52.86 54.65 1tkv s ASN 50 Cb -0.17 -2.41 0.12 0.00 -0.55 0.00 0.00 41.25 38.24 1tkv s ASN 50 CO 0.15 -0.10 1.70 -0.61 -2.79 0.00 0.00 177.10 175.44 1tkv h GLN 51 N 2.79 0.10 0.04 0.43 4.15 -1.95 0.18 115.11 120.85 1tkv h GLN 51 Ca -0.48 -0.01 -0.24 0.00 0.77 0.00 0.00 58.65 58.70 1tkv h GLN 51 Cb 1.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1tkv h GLN 51 CO 0.65 0.07 -1.03 -2.95 -1.93 0.00 0.00 178.83 173.64 1tkv h ASN 52 N 0.11 0.49 1.35 -0.69 7.08 -2.00 -3.07 115.58 118.85 1tkv h ASN 52 Ca 0.20 -0.42 0.00 0.00 -3.08 0.00 0.00 56.30 53.00 1tkv h ASN 52 Cb 0.29 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.38 1tkv h ASN 52 CO -0.34 1.25 -0.01 -1.20 -2.08 0.00 0.00 177.43 175.05 1tkv n SER 53 N -3.68 0.61 0.00 6.14 7.64 -1.14 -2.00 113.62 121.19 1tkv n SER 53 Ca -0.07 0.55 -0.13 0.00 1.01 0.00 0.00 58.87 60.23 1tkv n SER 53 Cb 0.89 -0.71 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.01 -0.05 1.43 3.57 -0.65 -2.93 116.94 118.31 1tkv h PHE 54 Ca 0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1tkv h PHE 54 Cb 0.68 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1tkv h PHE 54 CO 0.00 0.37 -0.29 -0.09 -2.23 0.00 0.00 178.31 176.06 1tkv h ARG 55 N -0.39 0.09 0.57 1.11 2.43 -1.36 -1.81 114.38 115.02 1tkv h ARG 55 Ca -0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1tkv h ARG 55 Cb 0.38 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1tkv h ARG 55 CO 0.00 0.38 -0.30 1.57 -1.51 0.00 0.00 179.97 180.11 1tkv h LYS 56 N 0.08 -0.77 -0.94 0.20 2.10 -1.49 -2.66 116.57 113.09 1tkv h LYS 56 Ca 0.01 0.05 0.27 0.00 -2.00 0.00 0.00 60.65 58.98 1tkv h LYS 56 Cb 0.56 0.17 -0.14 0.00 -0.90 0.00 0.00 32.23 31.92 1tkv h LYS 56 CO 0.04 -0.51 0.41 -0.84 -2.00 0.00 0.00 179.45 176.55 1tkv h ILE 57 N -0.80 0.34 -0.06 0.07 3.07 -1.24 0.31 117.51 119.21 1tkv h ILE 57 Ca -0.08 -0.10 -0.18 0.00 1.55 0.00 0.00 64.86 66.05 1tkv h ILE 57 Cb 0.62 0.01 0.01 0.00 -0.27 0.00 0.00 36.82 37.19 1tkv h ILE 57 CO 0.11 0.06 -0.65 -0.37 -1.05 0.00 0.00 178.15 176.25 1tkv h VAL 58 N 0.30 1.36 -0.02 0.16 -1.51 -1.46 -3.38 116.25 111.70 1tkv h VAL 58 Ca 0.63 -1.99 -0.07 0.00 -1.23 0.00 0.00 66.70 64.04 1tkv h VAL 58 Cb 1.35 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 32.85 1tkv h VAL 58 CO -0.61 0.60 -0.27 -1.28 -1.23 0.00 0.00 177.57 174.78 1tkv h SER 59 N 0.13 0.27 -0.13 4.19 0.87 -0.89 -3.37 113.55 114.62 1tkv h SER 59 Ca -0.07 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 1tkv h SER 59 Cb 1.32 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1tkv h SER 59 CO 0.13 0.96 0.00 -1.84 -0.53 0.00 0.00 176.83 175.55 1tkv n GLU 60 N -4.49 1.30 -1.64 2.24 0.28 0.10 -4.89 120.64 113.53 1tkv n GLU 60 Ca -0.09 -0.46 -0.41 0.00 -0.16 0.00 0.00 57.16 56.04 1tkv n GLU 60 Cb 0.50 -1.11 0.01 0.00 1.43 0.00 0.00 31.44 32.27 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 -0.12 3.21 -4.92 -1.84 4.77 -1.26 -5.00 117.00 111.84 1tkv n LEU 61 Ca 0.04 1.05 -0.28 0.00 -0.03 0.00 0.00 56.01 56.79 1tkv n LEU 61 Cb 0.12 -1.41 0.09 0.00 -2.33 0.00 0.00 43.42 39.89 1tkv n LEU 61 CO 0.03 -1.21 0.73 0.42 -1.33 0.00 0.00 177.39 176.03 1tkv s THR 62 N -1.26 2.11 0.22 -5.08 -4.23 -1.26 -4.93 115.64 101.21 1tkv s THR 62 Ca 0.63 -0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1tkv s THR 62 Cb -0.53 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 70.49 1tkv s THR 62 CO 0.56 0.00 1.78 1.56 -0.54 0.00 0.00 174.62 177.98 1tkv h GLN 63 N -0.93 0.56 -0.83 3.99 4.20 -1.99 -2.62 115.11 117.49 1tkv h GLN 63 Ca -0.45 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 1tkv h GLN 63 Cb 1.31 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 1tkv h GLN 63 CO 0.60 0.37 0.38 0.93 -0.67 0.00 0.00 178.83 180.44 1tkv h GLU 64 N 0.57 1.20 -0.86 1.46 5.08 -1.97 0.33 114.58 120.39 1tkv h GLU 64 Ca 0.34 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1tkv h GLU 64 Cb 0.35 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1tkv h GLU 64 CO -0.27 0.93 0.56 -0.44 -1.00 0.00 0.00 179.01 178.79 1tkv h ASP 65 N 1.18 1.00 0.03 1.42 5.19 -1.87 0.19 116.42 123.56 1tkv h ASP 65 Ca 0.28 -0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.45 1tkv h ASP 65 Cb 0.14 -0.25 0.02 0.00 0.18 0.00 0.00 39.33 39.42 1tkv h ASP 65 CO -0.03 0.73 -0.82 0.11 -3.12 0.00 0.00 179.24 176.11 1tkv h LYS 66 N 1.17 0.50 -0.08 3.56 1.57 -1.11 -2.52 116.57 119.66 1tkv h LYS 66 Ca 0.31 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1tkv h LYS 66 Cb -0.11 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1tkv h LYS 66 CO -0.07 1.21 0.02 0.87 -0.57 0.00 0.00 179.45 180.92 1tkv h LYS 67 N 0.04 0.11 -0.65 3.15 1.79 -0.70 -0.44 116.57 119.87 1tkv h LYS 67 Ca -0.11 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1tkv h LYS 67 Cb 1.52 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 32.12 1tkv h LYS 67 CO 0.16 0.11 0.27 1.15 -1.08 0.00 0.00 179.45 180.06 1tkv h THR 68 N 0.11 1.24 -0.33 -0.16 2.02 -0.40 0.26 112.91 115.64 1tkv h THR 68 Ca 0.03 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 1tkv h THR 68 Cb 0.05 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1tkv h THR 68 CO -0.00 0.29 0.01 -0.07 0.37 0.00 0.00 175.52 176.11 1tkv h LEU 69 N 0.91 0.57 -0.59 2.58 3.38 -1.00 -2.92 115.31 118.25 1tkv h LEU 69 Ca 0.22 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1tkv h LEU 69 Cb 0.19 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1tkv h LEU 69 CO -0.02 0.74 0.36 0.40 0.09 0.00 0.00 178.44 180.00 1tkv h ILE 70 N 0.39 1.06 -0.79 1.22 2.04 -0.86 0.24 117.51 120.81 1tkv h ILE 70 Ca 0.10 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1tkv h ILE 70 Cb 0.44 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1tkv h ILE 70 CO 0.02 0.13 0.44 0.44 0.00 0.00 0.00 178.15 179.17 1tkv h ASP 71 N 0.70 0.62 0.13 1.72 3.32 -0.47 -3.16 116.42 119.27 1tkv h ASP 71 Ca 0.24 0.05 -0.36 0.00 0.02 0.00 0.00 57.03 56.98 1tkv h ASP 71 Cb 0.03 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 1tkv h ASP 71 CO -0.10 0.36 -2.20 -0.62 -1.72 0.00 0.00 179.24 174.95 1tkv n GLU 72 N -4.77 0.68 -2.56 3.56 -0.58 -1.11 -4.62 120.64 111.24 1tkv n GLU 72 Ca 0.13 0.15 -0.27 0.00 -0.42 0.00 0.00 57.16 56.74 1tkv n GLU 72 Cb 0.27 -1.61 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 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 -3.08 3.53 0.00 -0.32 3.01 0.82 -4.98 117.46 116.45 1tkv n PHE 73 Ca -0.33 -3.27 0.00 0.00 1.01 0.00 0.00 57.45 54.86 1tkv n PHE 73 Cb 1.07 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.38 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 -0.44 0.00 0.01 4.37 3.02 -1.20 -1.49 115.26 119.54 1tkv n ASN 74 Ca 0.38 0.85 -0.13 0.00 -0.03 0.00 0.00 54.58 55.65 1tkv n ASN 74 Cb 0.61 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 39.32 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1tkv h GLU 75 N 0.00 -0.07 -0.34 3.52 4.81 -1.93 -3.17 114.58 117.38 1tkv h GLU 75 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1tkv h GLU 75 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1tkv h GLU 75 CO 0.00 0.45 0.10 0.78 -0.73 0.00 0.00 179.01 179.61 1tkv h GLY 76 N -0.64 0.58 0.75 1.92 0.00 -1.99 -3.22 103.07 100.47 1tkv h GLY 76 Ca -0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1tkv h GLY 76 CO 0.01 0.33 -0.21 -2.75 0.00 0.00 0.00 176.54 173.92 1tkv h PHE 77 N 0.40 0.47 -0.87 5.60 3.04 -1.40 -2.40 116.94 121.79 1tkv h PHE 77 Ca 0.11 -0.16 0.14 0.00 3.98 0.00 0.00 57.97 62.04 1tkv h PHE 77 Cb 0.27 -0.09 -0.15 0.00 2.56 0.00 0.00 35.95 38.54 1tkv h PHE 77 CO 0.01 0.82 -0.37 0.93 -2.02 0.00 0.00 178.31 177.68 1tkv h GLU 78 N -0.01 -0.05 0.77 1.11 5.08 -1.59 0.26 114.58 120.14 1tkv h GLU 78 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1tkv h GLU 78 Cb 0.77 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1tkv h GLU 78 CO 0.05 -0.03 -0.37 0.78 -1.00 0.00 0.00 179.01 178.44 1tkv h GLY 79 N -0.05 -1.08 2.00 -3.84 0.00 -1.56 -2.99 103.07 95.55 1tkv h GLY 79 Ca 0.31 0.40 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 1tkv h GLY 79 CO -0.89 -0.39 -0.05 -0.39 0.00 0.00 0.00 176.54 174.82 1tkv h VAL 80 N -1.25 0.14 0.00 4.60 -1.51 -1.16 -2.11 116.25 114.96 1tkv h VAL 80 Ca -0.11 -0.57 -0.07 0.00 -1.23 0.00 0.00 66.70 64.72 1tkv h VAL 80 Cb 0.79 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 1tkv h VAL 80 CO 0.17 0.05 -0.35 0.22 -1.23 0.00 0.00 177.57 176.43 1tkv h TYR 81 N 0.00 0.00 -0.86 5.19 3.20 -0.56 0.05 116.97 124.00 1tkv h TYR 81 Ca -0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1tkv h TYR 81 Cb 0.49 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1tkv h TYR 81 CO 0.00 0.35 0.47 0.00 -1.64 0.00 0.00 178.16 177.34 1tkv h ARG 82 N 0.00 1.19 0.04 1.82 2.47 -1.22 -1.47 114.38 117.21 1tkv h ARG 82 Ca -0.00 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1tkv h ARG 82 Cb 1.19 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1tkv h ARG 82 CO 0.05 0.87 -0.02 1.88 0.56 0.00 0.00 179.97 183.31 1tkv h TYR 83 N 1.19 -0.05 -0.36 3.04 -1.99 -1.48 -2.41 116.97 114.91 1tkv h TYR 83 Ca 0.30 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.05 1tkv h TYR 83 Cb 0.03 0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1tkv h TYR 83 CO 0.01 0.35 0.21 -0.07 -0.00 0.00 0.00 178.16 178.66 1tkv h LEU 84 N -0.46 0.35 -0.37 3.88 3.38 -0.94 -2.72 115.31 118.43 1tkv h LEU 84 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1tkv h LEU 84 Cb 0.42 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1tkv h LEU 84 CO 0.01 0.25 -0.07 -0.33 0.09 0.00 0.00 178.44 178.39 1tkv h GLU 85 N 0.43 0.02 0.00 1.13 5.08 -1.22 -3.14 114.58 116.87 1tkv h GLU 85 Ca 0.14 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1tkv h GLU 85 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1tkv h GLU 85 CO -0.07 0.01 -0.03 0.00 -1.00 0.00 0.00 179.01 177.93 1tkv h MET 86 N 0.02 0.00 -0.01 2.33 -0.00 -1.13 -2.97 114.93 113.17 1tkv h MET 86 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.88 1tkv h MET 86 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 1tkv h MET 86 CO -0.36 0.03 -0.04 0.66 -0.00 0.00 0.00 176.91 177.20 1tkv n TYR 87 N -3.11 0.00 -2.41 -0.10 4.01 -1.08 -2.66 117.16 111.81 1tkv n TYR 87 Ca 0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.61 1tkv n TYR 87 Cb 0.48 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.51 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 -0.15 1.96 -2.80 -0.72 5.66 -1.12 -1.85 114.28 115.26 1tkv n THR 88 Ca 0.18 -3.83 -0.42 0.00 -3.05 0.00 0.00 64.05 56.93 1tkv n THR 88 Cb 0.32 -0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 68.82 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 -3.59 6.85 0.00 1.09 0.02 -1.09 -5.03 114.94 113.18 1tkv s ASN 89 Ca 0.41 0.98 0.23 0.00 -1.02 0.00 0.00 52.86 53.46 1tkv s ASN 89 Cb 0.39 -2.48 1.39 0.00 0.02 0.00 0.00 41.25 40.58 1tkv s ASN 89 CO -0.02 -0.68 1.76 0.29 0.02 0.00 0.00 177.10 178.47