#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 0.00 -0.07 -3.83 5.02 -1.26 -4.96 118.16 113.07 1tkv n LYS 3 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1tkv n LYS 3 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1tkv n LYS 3 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1tkv h ASN 4 N 0.00 0.88 0.17 4.39 -1.07 -2.01 -3.36 115.58 114.57 1tkv h ASN 4 Ca 0.00 -0.55 0.00 0.00 0.07 0.00 0.00 56.30 55.82 1tkv h ASN 4 Cb 0.00 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 35.99 1tkv h ASN 4 CO 0.00 1.26 -0.14 -0.29 0.07 0.00 0.00 177.43 178.33 1tkv h ILE 5 N 0.53 0.69 -1.06 6.14 2.10 -1.94 -2.61 117.51 121.35 1tkv h ILE 5 Ca 0.00 0.00 0.28 0.00 1.08 0.00 0.00 64.86 66.23 1tkv h ILE 5 Cb 1.13 0.69 -0.08 0.00 -1.09 0.00 0.00 36.82 37.46 1tkv h ILE 5 CO 0.11 0.00 0.70 0.44 -1.08 0.00 0.00 178.15 178.33 1tkv h ASP 6 N -0.33 0.34 0.06 2.19 5.19 -1.93 0.14 116.42 122.07 1tkv h ASP 6 Ca -0.00 0.06 -0.17 0.00 -0.62 0.00 0.00 57.03 56.30 1tkv h ASP 6 Cb 0.30 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1tkv h ASP 6 CO -0.02 0.06 -0.87 0.74 -3.12 0.00 0.00 179.24 176.03 1tkv h THR 7 N 0.29 1.30 -0.89 0.35 2.02 -1.63 -2.82 112.91 111.53 1tkv h THR 7 Ca 0.58 -2.35 0.15 0.00 0.77 0.00 0.00 66.41 65.56 1tkv h THR 7 Cb 1.67 2.87 -0.15 0.00 -1.74 0.00 0.00 68.15 70.80 1tkv h THR 7 CO -0.23 0.58 -0.30 0.52 0.37 0.00 0.00 175.52 176.47 1tkv n VAL 8 N -4.28 -0.43 -0.30 3.16 0.31 -1.00 -1.95 118.33 113.84 1tkv n VAL 8 Ca -0.21 2.06 0.08 0.00 -0.01 0.00 0.00 64.34 66.27 1tkv n VAL 8 Cb 0.71 -2.78 0.24 0.00 -0.91 0.00 0.00 33.84 31.11 1tkv n VAL 8 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1tkv h ARG 9 N 0.00 0.57 -0.01 5.55 2.43 -0.76 0.20 114.38 122.35 1tkv h ARG 9 Ca 0.36 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.37 1tkv h ARG 9 Cb 0.58 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1tkv h ARG 9 CO -0.90 0.38 -0.48 1.05 -1.51 0.00 0.00 179.97 178.51 1tkv h GLU 10 N 0.58 0.33 -0.00 0.20 4.11 -1.12 -3.10 114.58 115.58 1tkv h GLU 10 Ca 0.48 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1tkv h GLU 10 Cb 0.73 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1tkv h GLU 10 CO -0.39 1.04 0.00 0.82 0.07 0.00 0.00 179.01 180.55 1tkv h ILE 11 N -0.23 0.48 -0.18 -1.06 2.04 -1.24 -2.91 117.51 114.40 1tkv h ILE 11 Ca -0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1tkv h ILE 11 Cb 1.20 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1tkv h ILE 11 CO 0.09 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.75 1tkv h ILE 12 N 0.00 1.09 0.40 -0.67 2.04 -0.54 0.48 117.51 120.31 1tkv h ILE 12 Ca 0.00 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1tkv h ILE 12 Cb 0.01 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1tkv h ILE 12 CO -0.00 0.09 -0.19 0.71 0.00 0.00 0.00 178.15 178.76 1tkv h THR 13 N 0.20 0.59 -1.25 -0.27 1.35 -1.50 -2.26 112.91 109.77 1tkv h THR 13 Ca 0.07 -0.33 0.43 0.00 -0.55 0.00 0.00 66.41 66.02 1tkv h THR 13 Cb 0.05 0.75 -0.12 0.00 -1.73 0.00 0.00 68.15 67.10 1tkv h THR 13 CO -0.01 0.06 0.81 0.52 -0.25 0.00 0.00 175.52 176.65 1tkv n VAL 14 N -5.24 -0.21 0.05 6.82 0.31 -1.14 -1.10 118.33 117.81 1tkv n VAL 14 Ca -0.11 1.59 -0.20 0.00 -0.01 0.00 0.00 64.34 65.61 1tkv n VAL 14 Cb 0.27 -2.61 -0.12 0.00 -0.91 0.00 0.00 33.84 30.48 1tkv n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tkv h ALA 15 N 1.39 0.06 0.00 3.52 0.00 -0.46 -3.03 119.26 120.73 1tkv h ALA 15 Ca 0.79 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tkv h ALA 15 Cb 2.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.42 1tkv h ALA 15 CO -0.40 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 1tkv n SER 16 N -3.96 0.00 0.16 0.00 3.41 -0.26 -2.19 113.62 110.78 1tkv n SER 16 Ca -0.12 0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.47 1tkv n SER 16 Cb 0.85 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.54 -0.16 -1.33 1.08 -1.13 -1.12 117.51 115.39 1tkv h ILE 17 Ca 0.00 -0.68 0.05 0.00 -0.39 0.00 0.00 64.86 63.83 1tkv h ILE 17 Cb 0.18 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1tkv h ILE 17 CO 0.00 0.11 0.16 -0.07 -0.69 0.00 0.00 178.15 177.65 1tkv h LEU 18 N -0.90 0.00 0.00 1.44 4.07 -1.40 0.07 115.31 118.59 1tkv h LEU 18 Ca -0.05 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.77 1tkv h LEU 18 Cb 0.53 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1tkv h LEU 18 CO 0.08 0.00 -0.94 0.40 -1.08 0.00 0.00 178.44 176.90 1tkv h ILE 19 N 0.00 0.80 -0.75 1.22 2.04 -1.43 0.34 117.51 119.74 1tkv h ILE 19 Ca 0.07 -2.26 0.08 0.00 1.00 0.00 0.00 64.86 63.76 1tkv h ILE 19 Cb 0.39 2.31 -0.07 0.00 -0.74 0.00 0.00 36.82 38.71 1tkv h ILE 19 CO -0.00 0.46 0.41 0.50 0.00 0.00 0.00 178.15 179.52 1tkv h LYS 20 N 0.00 0.70 0.00 2.37 3.64 0.32 -3.29 116.57 120.31 1tkv h LYS 20 Ca -0.07 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.09 1tkv h LYS 20 Cb 1.52 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 1tkv h LYS 20 CO 0.06 0.47 -1.01 0.74 -2.27 0.00 0.00 179.45 177.44 1tkv h PHE 21 N 0.72 0.00 -1.43 1.91 0.04 -1.27 -3.48 116.94 113.43 1tkv h PHE 21 Ca 0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.12 1tkv h PHE 21 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1tkv h PHE 21 CO -0.08 0.73 0.00 0.45 -0.60 0.00 0.00 178.31 178.81 1tkv n SER 22 N -3.16 -1.37 -2.43 2.17 2.88 -0.89 -5.02 113.62 105.80 1tkv n SER 22 Ca -0.04 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.37 1tkv n SER 22 Cb 0.86 -0.34 0.03 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.72 2.66 0.00 -1.46 5.12 0.12 -4.79 116.66 117.59 1tkv n ARG 23 Ca 0.00 -3.85 0.12 0.00 -1.93 0.00 0.00 57.85 52.19 1tkv n ARG 23 Cb 0.34 -1.93 0.64 0.00 -1.16 0.00 0.00 32.46 30.35 1tkv n ARG 23 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1tkv n GLU 24 N -0.62 0.40 0.16 5.56 0.00 -1.22 -2.55 120.64 122.37 1tkv n GLU 24 Ca 0.26 0.05 -0.15 0.00 0.00 0.00 0.00 57.16 57.31 1tkv n GLU 24 Cb 0.87 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.73 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 -1.23 -0.58 -1.84 5.19 -1.91 -0.65 116.42 115.40 1tkv h ASP 25 Ca 0.00 0.13 0.11 0.00 -0.62 0.00 0.00 57.03 56.65 1tkv h ASP 25 Cb 0.21 0.45 -0.11 0.00 0.18 0.00 0.00 39.33 40.06 1tkv h ASP 25 CO 0.00 -0.52 -0.23 0.40 -3.12 0.00 0.00 179.24 175.77 1tkv h ILE 26 N -0.72 0.29 -0.05 0.35 2.04 -1.88 -3.10 117.51 114.44 1tkv h ILE 26 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1tkv h ILE 26 Cb 0.71 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1tkv h ILE 26 CO -0.19 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.46 1tkv h VAL 27 N -0.09 0.80 -0.96 1.67 2.07 -1.61 -3.17 116.25 114.96 1tkv h VAL 27 Ca 0.26 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.06 1tkv h VAL 27 Cb 0.50 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1tkv h VAL 27 CO -0.64 0.00 1.11 -1.84 0.02 0.00 0.00 177.57 176.23 1tkv n GLU 28 N -5.20 0.01 -5.21 1.57 0.28 -0.27 -4.33 120.64 107.50 1tkv n GLU 28 Ca -0.05 0.93 -0.32 0.00 -0.16 0.00 0.00 57.16 57.56 1tkv n GLU 28 Cb 0.13 -2.30 -0.16 0.00 1.43 0.00 0.00 31.44 30.54 1tkv n GLU 28 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1tkv s ASN 29 N -3.42 3.17 0.16 -1.84 3.84 -1.20 -4.72 114.94 110.94 1tkv s ASN 29 Ca -0.02 -0.50 -0.18 0.00 0.21 0.00 0.00 52.86 52.36 1tkv s ASN 29 Cb 0.13 -1.05 0.09 0.00 -0.55 0.00 0.00 41.25 39.86 1tkv s ASN 29 CO 0.43 0.22 1.66 -0.09 -2.79 0.00 0.00 177.10 176.53 1tkv h ARG 30 N 6.26 -0.06 -0.25 0.43 2.43 -1.75 -1.69 114.38 119.75 1tkv h ARG 30 Ca -0.28 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.73 1tkv h ARG 30 Cb 1.20 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1tkv h ARG 30 CO 0.48 -0.04 -0.50 0.00 -1.51 0.00 0.00 179.97 178.39 1tkv h ALA 31 N 1.26 0.64 -0.76 2.80 0.00 -1.93 -0.70 119.26 120.57 1tkv h ALA 31 Ca 0.19 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1tkv h ALA 31 Cb 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1tkv h ALA 31 CO -0.42 0.68 0.36 -0.91 0.00 0.00 0.00 179.25 178.96 1tkv h ASN 32 N 0.55 0.98 0.51 0.00 -0.26 -1.81 -0.70 115.58 114.86 1tkv h ASN 32 Ca 0.02 -0.11 -0.02 0.00 -0.56 0.00 0.00 56.30 55.63 1tkv h ASN 32 Cb 1.06 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 1tkv h ASN 32 CO 0.10 0.83 -0.25 0.15 -1.06 0.00 0.00 177.43 177.20 1tkv h PHE 33 N 1.07 -0.66 -0.67 1.19 3.57 -1.00 -0.50 116.94 119.95 1tkv h PHE 33 Ca 0.26 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.85 1tkv h PHE 33 Cb 0.11 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.00 1tkv h PHE 33 CO 0.01 -0.41 0.27 0.82 -2.23 0.00 0.00 178.31 176.77 1tkv h ILE 34 N -0.70 0.75 -0.59 1.41 2.04 -1.00 0.50 117.51 119.93 1tkv h ILE 34 Ca -0.07 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1tkv h ILE 34 Cb 0.54 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1tkv h ILE 34 CO 0.11 0.08 0.31 0.00 0.00 0.00 0.00 178.15 178.65 1tkv h ALA 35 N 1.46 0.75 -0.26 1.87 0.00 -1.04 -1.80 119.26 120.24 1tkv h ALA 35 Ca 0.34 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1tkv h ALA 35 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1tkv h ALA 35 CO -0.33 0.29 0.18 0.35 0.00 0.00 0.00 179.25 179.74 1tkv h PHE 36 N 0.79 0.19 0.07 0.00 3.57 -0.51 -0.20 116.94 120.84 1tkv h PHE 36 Ca 0.20 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1tkv h PHE 36 Cb 0.07 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1tkv h PHE 36 CO -0.01 0.11 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.08 1tkv h LEU 37 N 0.19 -0.08 -0.82 0.59 3.38 -0.18 -0.74 115.31 117.65 1tkv h LEU 37 Ca 0.11 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1tkv h LEU 37 Cb 0.21 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1tkv h LEU 37 CO -0.02 0.21 0.49 0.78 0.09 0.00 0.00 178.44 179.99 1tkv h ASN 38 N -0.37 0.73 0.27 -0.43 2.35 -0.87 0.25 115.58 117.51 1tkv h ASN 38 Ca -0.01 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1tkv h ASN 38 Cb 0.32 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1tkv h ASN 38 CO 0.02 0.45 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.53 1tkv h GLU 39 N 0.86 -0.65 -0.12 0.81 4.39 -1.01 -3.28 114.58 115.58 1tkv h GLU 39 Ca 0.38 0.04 -0.10 0.00 0.34 0.00 0.00 59.36 60.02 1tkv h GLU 39 Cb 0.27 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1tkv h GLU 39 CO -0.21 -0.43 -0.38 -0.84 -1.16 0.00 0.00 179.01 175.98 1tkv h ILE 40 N -0.67 1.30 0.00 3.13 3.07 -0.94 -3.47 117.51 119.92 1tkv h ILE 40 Ca -0.03 -1.46 0.00 0.00 1.55 0.00 0.00 64.86 64.92 1tkv h ILE 40 Cb 0.61 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 1tkv h ILE 40 CO -0.11 0.44 0.00 0.61 -1.05 0.00 0.00 178.15 178.04 1tkv n GLY 41 N -0.23 1.14 3.55 0.16 0.00 0.84 -5.05 105.19 105.61 1tkv n GLY 41 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 3.07 1.05 1.61 1.01 -0.98 -4.97 120.40 119.19 1tkv s VAL 42 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1tkv s VAL 42 Cb 0.00 -3.17 0.17 0.00 0.00 0.00 0.00 36.38 33.37 1tkv s VAL 42 CO 0.00 -0.17 0.73 0.35 0.00 0.00 0.00 175.10 176.02 1tkv n THR 43 N 8.10 0.00 0.00 3.92 -2.24 -1.26 -4.35 114.28 118.45 1tkv n THR 43 Ca 0.37 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1tkv n THR 43 Cb 0.51 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1tkv n THR 43 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1tkv n HIS 44 N -4.41 0.00 0.00 4.78 -0.00 -0.77 -4.85 115.22 109.97 1tkv n HIS 44 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1tkv n HIS 44 Cb 0.55 0.00 0.00 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 0.00 -1.13 1.57 4.71 -1.26 -4.20 120.64 120.32 1tkv n GLU 45 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1tkv n GLU 45 Cb 0.00 -1.08 -0.02 0.00 -1.01 0.00 0.00 31.44 29.33 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 1.15 0.55 3.88 0.62 0.00 -1.26 -5.02 105.19 105.11 1tkv n GLY 46 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1tkv n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tkv s ARG 47 N -2.05 3.61 0.06 1.61 1.81 -1.26 -4.97 118.95 117.76 1tkv s ARG 47 Ca 0.00 -0.01 -0.31 0.00 -1.72 0.00 0.00 55.73 53.69 1tkv s ARG 47 Cb 0.00 -3.10 -0.08 0.00 -0.45 0.00 0.00 34.95 31.32 1tkv s ARG 47 CO 0.00 0.66 1.58 0.15 -0.68 0.00 0.00 175.30 177.01 1tkv s LYS 48 N -1.61 4.22 -0.20 3.54 -0.14 -1.26 -1.84 119.74 122.46 1tkv s LYS 48 Ca 0.26 2.24 -0.29 0.00 -1.36 0.00 0.00 55.97 56.82 1tkv s LYS 48 Cb -0.13 -3.56 -0.01 0.00 -1.68 0.00 0.00 37.83 32.45 1tkv s LYS 48 CO 0.14 -0.68 1.23 -1.17 -0.76 0.00 0.00 175.35 174.11 1tkv s LEU 49 N 2.46 4.12 0.47 3.17 0.20 -1.26 -4.90 118.68 122.94 1tkv s LEU 49 Ca 0.71 1.57 -0.07 0.00 0.69 0.00 0.00 54.13 57.03 1tkv s LEU 49 Cb -0.38 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 41.80 1tkv s LEU 49 CO 0.31 -0.79 0.79 0.20 -0.29 0.00 0.00 176.35 176.57 1tkv s ASN 50 N 1.95 6.32 0.04 3.68 0.01 -1.26 -4.78 114.94 120.90 1tkv s ASN 50 Ca 0.53 0.99 -0.22 0.00 -0.71 0.00 0.00 52.86 53.45 1tkv s ASN 50 Cb -0.20 -2.27 -0.15 0.00 0.41 0.00 0.00 41.25 39.04 1tkv s ASN 50 CO 0.14 -0.55 1.46 1.56 -1.51 0.00 0.00 177.10 178.20 1tkv h GLN 51 N 0.44 0.17 0.96 -0.60 4.20 -1.96 0.81 115.11 119.14 1tkv h GLN 51 Ca -0.47 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.14 1tkv h GLN 51 Cb 1.20 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.97 1tkv h GLN 51 CO 0.62 0.44 -0.46 -2.95 -0.67 0.00 0.00 178.83 175.81 1tkv h ASN 52 N -0.11 -1.09 0.35 1.46 -1.07 -2.00 -3.07 115.58 110.05 1tkv h ASN 52 Ca 0.03 0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.43 1tkv h ASN 52 Cb 0.37 0.28 0.00 0.00 -2.07 0.00 0.00 38.32 36.90 1tkv h ASN 52 CO 0.01 -0.76 0.00 0.28 0.07 0.00 0.00 177.43 177.02 1tkv h SER 53 N -1.32 0.00 0.51 6.14 0.02 -1.97 0.08 113.55 117.00 1tkv h SER 53 Ca -0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1tkv h SER 53 Cb 0.99 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1tkv h SER 53 CO 0.22 0.00 -0.48 0.15 -1.14 0.00 0.00 176.83 175.58 1tkv h PHE 54 N 0.00 -1.33 -0.05 3.45 3.57 -0.88 -3.16 116.94 118.54 1tkv h PHE 54 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1tkv h PHE 54 Cb 0.18 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1tkv h PHE 54 CO 0.00 -0.65 0.14 -0.09 -2.23 0.00 0.00 178.31 175.49 1tkv h ARG 55 N -0.98 0.00 0.34 1.11 2.43 -0.88 -0.28 114.38 116.12 1tkv h ARG 55 Ca -0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1tkv h ARG 55 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1tkv h ARG 55 CO -0.04 0.00 -0.16 1.57 -1.51 0.00 0.00 179.97 179.82 1tkv h LYS 56 N 0.00 -0.44 -0.75 0.20 2.10 -1.57 -3.04 116.57 113.07 1tkv h LYS 56 Ca 0.02 0.03 0.17 0.00 -2.00 0.00 0.00 60.65 58.87 1tkv h LYS 56 Cb 0.31 0.10 -0.12 0.00 -0.90 0.00 0.00 32.23 31.61 1tkv h LYS 56 CO -0.00 -0.11 0.08 -0.84 -2.00 0.00 0.00 179.45 176.58 1tkv h ILE 57 N -0.91 0.40 0.05 0.07 3.07 -1.03 -1.95 117.51 117.22 1tkv h ILE 57 Ca -0.05 -0.06 -0.22 0.00 1.55 0.00 0.00 64.86 66.09 1tkv h ILE 57 Cb 0.53 0.23 0.02 0.00 -0.27 0.00 0.00 36.82 37.33 1tkv h ILE 57 CO 0.08 0.03 -0.90 -0.37 -1.05 0.00 0.00 178.15 175.94 1tkv h VAL 58 N 0.16 1.37 0.03 0.16 -1.51 -1.56 -3.40 116.25 111.50 1tkv h VAL 58 Ca 0.42 -2.28 -0.00 0.00 -1.23 0.00 0.00 66.70 63.60 1tkv h VAL 58 Cb 0.74 2.68 0.00 0.00 -2.13 0.00 0.00 31.29 32.57 1tkv h VAL 58 CO -0.60 0.68 -0.01 0.28 -1.23 0.00 0.00 177.57 176.68 1tkv h SER 59 N 0.05 -0.03 0.00 4.19 0.02 -1.38 -3.37 113.55 113.03 1tkv h SER 59 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1tkv h SER 59 Cb 1.60 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1tkv h SER 59 CO 0.17 0.02 0.00 -1.84 -1.14 0.00 0.00 176.83 174.04 1tkv n GLU 60 N -2.31 0.00 -1.74 3.45 0.28 -0.75 -4.80 120.64 114.76 1tkv n GLU 60 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1tkv n GLU 60 Cb 0.01 -0.97 -0.03 0.00 1.43 0.00 0.00 31.44 31.89 1tkv n GLU 60 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1tkv s LEU 61 N -0.43 4.36 0.70 -1.84 1.43 -1.26 -4.99 118.68 116.65 1tkv s LEU 61 Ca 0.00 2.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.88 1tkv s LEU 61 Cb 0.00 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1tkv s LEU 61 CO 0.00 -0.96 1.06 0.42 0.23 0.00 0.00 176.35 177.10 1tkv s THR 62 N 0.86 4.01 0.29 5.49 -4.23 -1.26 -4.84 115.64 115.97 1tkv s THR 62 Ca 0.72 0.65 0.03 0.00 -1.18 0.00 0.00 61.69 61.91 1tkv s THR 62 Cb -0.49 -3.39 0.31 0.00 1.34 0.00 0.00 72.50 70.26 1tkv s THR 62 CO 0.36 -0.85 1.65 1.56 -0.54 0.00 0.00 174.62 176.80 1tkv h GLN 63 N -0.73 0.23 -0.34 3.99 4.20 -1.99 -0.16 115.11 120.31 1tkv h GLN 63 Ca -0.44 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 1tkv h GLN 63 Cb 1.21 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 1tkv h GLN 63 CO 0.57 0.15 0.15 0.93 -0.67 0.00 0.00 178.83 179.96 1tkv h GLU 64 N 0.24 0.51 -0.91 1.46 3.07 -1.98 -0.62 114.58 116.35 1tkv h GLU 64 Ca 0.56 -0.08 0.04 0.00 -0.50 0.00 0.00 59.36 59.37 1tkv h GLU 64 Cb 1.13 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.89 1tkv h GLU 64 CO -0.63 0.48 0.59 -0.44 -1.40 0.00 0.00 179.01 177.60 1tkv h ASP 65 N 0.42 0.97 0.19 1.42 3.32 -1.61 0.21 116.42 121.34 1tkv h ASP 65 Ca 0.12 -0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.85 1tkv h ASP 65 Cb 0.15 -0.22 0.03 0.00 0.22 0.00 0.00 39.33 39.52 1tkv h ASP 65 CO -0.01 0.66 -1.35 0.11 -1.72 0.00 0.00 179.24 176.93 1tkv h LYS 66 N 1.13 0.59 -0.81 3.56 1.57 -1.02 -1.59 116.57 120.00 1tkv h LYS 66 Ca 0.37 -0.87 0.14 0.00 -1.87 0.00 0.00 60.65 58.42 1tkv h LYS 66 Cb 0.03 0.30 -0.09 0.00 0.08 0.00 0.00 32.23 32.55 1tkv h LYS 66 CO -0.13 1.41 0.38 -0.22 -0.57 0.00 0.00 179.45 180.32 1tkv h LYS 67 N 0.22 0.54 -0.19 3.15 1.63 -1.02 -0.40 116.57 120.49 1tkv h LYS 67 Ca -0.22 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.48 1tkv h LYS 67 Cb 2.03 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 33.52 1tkv h LYS 67 CO 0.25 0.36 -0.20 1.15 -3.45 0.00 0.00 179.45 177.56 1tkv h THR 68 N 0.55 1.23 -0.03 1.00 2.02 -0.15 -1.63 112.91 115.91 1tkv h THR 68 Ca 0.44 -1.06 -0.14 0.00 0.77 0.00 0.00 66.41 66.43 1tkv h THR 68 Cb 0.63 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1tkv h THR 68 CO -0.37 0.33 -0.62 -0.07 0.37 0.00 0.00 175.52 175.16 1tkv h LEU 69 N 0.31 0.13 0.14 2.58 3.38 -0.29 -1.84 115.31 119.73 1tkv h LEU 69 Ca 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1tkv h LEU 69 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1tkv h LEU 69 CO 0.04 0.71 -0.07 0.40 0.09 0.00 0.00 178.44 179.61 1tkv h ILE 70 N 0.08 0.97 -0.61 1.22 2.04 -0.51 0.07 117.51 120.77 1tkv h ILE 70 Ca -0.01 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.75 1tkv h ILE 70 Cb 1.11 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 1tkv h ILE 70 CO 0.09 0.24 0.39 0.44 0.00 0.00 0.00 178.15 179.31 1tkv h ASP 71 N -0.78 0.67 -0.12 1.72 3.32 -1.39 -0.81 116.42 119.02 1tkv h ASP 71 Ca -0.02 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1tkv h ASP 71 Cb 0.54 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1tkv h ASP 71 CO 0.03 0.48 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.43 1tkv h GLU 72 N 0.79 0.40 -1.01 3.56 4.39 -1.40 -3.38 114.58 117.94 1tkv h GLU 72 Ca 0.23 -0.27 -0.57 0.00 0.34 0.00 0.00 59.36 59.10 1tkv h GLU 72 Cb -0.06 0.04 -0.42 0.00 -0.10 0.00 0.00 28.75 28.21 1tkv h GLU 72 CO -0.07 0.87 -0.75 1.19 -1.16 0.00 0.00 179.01 179.10 1tkv n PHE 73 N -4.44 2.97 -0.13 4.33 3.01 0.01 -5.00 117.46 118.22 1tkv n PHE 73 Ca -0.07 -2.52 -0.03 0.00 1.01 0.00 0.00 57.45 55.84 1tkv n PHE 73 Cb 0.46 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.64 -0.32 0.08 4.37 3.02 -0.32 -1.30 115.26 120.16 1tkv n ASN 74 Ca 0.43 0.60 -0.10 0.00 -0.03 0.00 0.00 54.58 55.47 1tkv n ASN 74 Cb 0.86 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.81 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1tkv h GLU 75 N 0.00 0.11 0.13 3.52 5.08 -1.94 -2.94 114.58 118.54 1tkv h GLU 75 Ca 0.05 -0.19 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 1tkv h GLU 75 Cb 0.12 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1tkv h GLU 75 CO -0.28 1.08 -1.10 0.78 -1.00 0.00 0.00 179.01 178.49 1tkv h GLY 76 N 2.39 0.30 1.89 -3.84 0.00 -1.77 -3.12 103.07 98.92 1tkv h GLY 76 Ca -0.06 -0.78 -0.23 0.00 0.00 0.00 0.00 47.33 46.26 1tkv h GLY 76 CO 0.16 0.68 -1.07 -2.75 0.00 0.00 0.00 176.54 173.56 1tkv h PHE 77 N -0.36 0.13 -0.50 5.60 3.04 -1.32 -2.51 116.94 121.02 1tkv h PHE 77 Ca -0.22 -0.09 0.07 0.00 3.98 0.00 0.00 57.97 61.71 1tkv h PHE 77 Cb 1.69 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 40.13 1tkv h PHE 77 CO 0.16 1.07 0.16 0.93 -2.02 0.00 0.00 178.31 178.62 1tkv h GLU 78 N 0.02 0.32 0.31 1.11 5.08 -1.54 0.34 114.58 120.22 1tkv h GLU 78 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1tkv h GLU 78 Cb 1.82 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1tkv h GLU 78 CO 0.15 0.21 -0.15 0.78 -1.00 0.00 0.00 179.01 179.00 1tkv h GLY 79 N 0.33 -0.44 1.71 -3.84 0.00 -1.45 -3.11 103.07 96.27 1tkv h GLY 79 Ca 0.24 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.74 1tkv h GLY 79 CO -0.26 -0.16 0.14 -0.39 0.00 0.00 0.00 176.54 175.87 1tkv h VAL 80 N -1.09 0.09 0.00 4.60 -1.51 -1.55 -1.17 116.25 115.63 1tkv h VAL 80 Ca -0.04 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.32 1tkv h VAL 80 Cb 0.37 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 1tkv h VAL 80 CO 0.07 0.00 -0.49 0.22 -1.23 0.00 0.00 177.57 176.14 1tkv h TYR 81 N 0.00 0.00 -0.71 5.19 3.20 -0.37 0.16 116.97 124.44 1tkv h TYR 81 Ca 0.01 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1tkv h TYR 81 Cb 0.29 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1tkv h TYR 81 CO 0.00 0.49 0.18 0.00 -1.64 0.00 0.00 178.16 177.19 1tkv h ARG 82 N 0.00 1.13 0.00 1.82 2.47 -1.14 -0.49 114.38 118.17 1tkv h ARG 82 Ca -0.00 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1tkv h ARG 82 Cb 0.98 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1tkv h ARG 82 CO 0.06 0.99 0.00 1.88 0.56 0.00 0.00 179.97 183.46 1tkv h TYR 83 N 1.07 0.00 -0.01 3.04 -1.99 -1.42 -1.85 116.97 115.81 1tkv h TYR 83 Ca 0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.95 1tkv h TYR 83 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1tkv h TYR 83 CO 0.03 0.00 -0.44 1.28 -0.00 0.00 0.00 178.16 179.03 1tkv n LEU 84 N -3.04 1.20 0.00 3.88 4.77 0.52 -3.42 117.00 120.92 1tkv n LEU 84 Ca 0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1tkv n LEU 84 Cb 0.36 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1tkv n LEU 84 CO 0.29 0.24 0.00 -0.62 -1.33 0.00 0.00 177.39 175.96 1tkv n GLU 85 N -0.72 0.00 -0.32 3.23 1.02 -0.25 -4.23 120.64 119.37 1tkv n GLU 85 Ca 0.09 0.18 0.16 0.00 -0.02 0.00 0.00 57.16 57.57 1tkv n GLU 85 Cb 0.38 -0.62 0.35 0.00 -0.02 0.00 0.00 31.44 31.53 1tkv n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tkv h MET 86 N 0.00 0.46 0.00 3.49 -0.00 -1.48 0.39 114.93 117.79 1tkv h MET 86 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1tkv h MET 86 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.50 1tkv h MET 86 CO 0.00 0.30 0.00 0.66 -0.00 0.00 0.00 176.91 177.87 1tkv n TYR 87 N -4.98 0.00 -2.93 -0.10 4.01 -1.22 -4.03 117.16 107.90 1tkv n TYR 87 Ca 0.25 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.86 1tkv n TYR 87 Cb 0.71 -0.27 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 -1.27 0.06 -3.99 -0.72 5.66 0.14 -3.62 114.28 110.53 1tkv n THR 88 Ca 0.11 -3.17 -0.35 0.00 -3.05 0.00 0.00 64.05 57.59 1tkv n THR 88 Cb 0.17 0.51 -0.13 0.00 -1.55 0.00 0.00 70.33 69.33 1tkv n THR 88 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1tkv s ASN 89 N -2.07 4.68 0.00 1.09 0.01 -1.05 -4.84 114.94 112.76 1tkv s ASN 89 Ca 0.31 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 1tkv s ASN 89 Cb 0.35 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 40.21 1tkv s ASN 89 CO -0.06 0.02 0.41 0.29 -1.51 0.00 0.00 177.10 176.26