#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opv n GLN 6 N 0.00 -1.98 0.00 1.61 7.27 -1.26 -4.18 117.38 118.84 2opv n GLN 6 Ca 0.00 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.73 2opv n GLN 6 Cb 0.00 -4.99 0.00 0.00 2.41 0.00 0.00 30.24 27.66 2opv n GLN 6 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2opv n PHE 7 N -3.75 0.00 -1.13 3.69 3.72 -1.26 -4.93 117.46 113.80 2opv n PHE 7 Ca -0.10 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.45 2opv n PHE 7 Cb 0.61 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.11 2opv n PHE 7 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2opv n HIS 8 N 0.00 -2.87 -3.53 1.38 -0.00 -1.26 -3.54 115.22 105.40 2opv n HIS 8 Ca 0.00 1.45 -0.41 0.00 0.46 0.00 0.00 57.72 59.23 2opv n HIS 8 Cb 0.00 -2.60 -0.05 0.00 -0.12 0.00 0.00 29.99 27.22 2opv n HIS 8 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2opv s ASP 9 N -6.26 6.19 0.00 0.26 1.01 -1.26 -4.70 116.67 111.92 2opv s ASP 9 Ca 0.00 -3.19 0.00 0.00 0.71 0.00 0.00 52.55 50.07 2opv s ASP 9 Cb 0.00 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2opv s ASP 9 CO 0.00 -0.35 0.00 -3.20 0.21 0.00 0.00 175.17 171.83 2opv n ASN 10 N 3.14 0.00 -3.15 0.27 5.15 -1.26 -5.10 115.26 114.32 2opv n ASN 10 Ca 0.16 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.19 2opv n ASN 10 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2opv s ALA 11 N -0.71 -3.77 -0.19 5.20 0.00 -1.26 -4.76 121.76 116.27 2opv s ALA 11 Ca 0.00 1.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 2opv s ALA 11 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 2opv s ALA 11 CO 0.00 -2.06 1.80 0.54 0.00 0.00 0.00 175.76 176.04 2opv s ASN 12 N 2.92 6.17 0.00 0.00 2.20 -1.23 -4.33 114.94 120.68 2opv s ASN 12 Ca 0.25 1.80 0.00 0.00 -0.94 0.00 0.00 52.86 53.97 2opv s ASN 12 Cb -0.03 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.69 2opv s ASN 12 CO -0.23 -1.40 0.00 0.61 -2.94 0.00 0.00 177.10 173.14 2opv n GLY 13 N 4.92 1.47 0.00 0.45 0.00 -1.26 -4.43 105.19 106.33 2opv n GLY 13 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2opv n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 14 N 0.00 0.18 2.84 -0.02 0.00 -1.26 -4.84 105.19 102.09 2opv n GLY 14 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2opv n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2opv s GLN 15 N 0.00 1.15 0.80 1.61 0.74 -1.26 -4.80 119.66 117.90 2opv s GLN 15 Ca 0.00 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.60 2opv s GLN 15 Cb 0.00 -2.36 0.00 0.00 1.10 0.00 0.00 33.01 31.75 2opv s GLN 15 CO 0.00 -0.67 0.00 0.09 -0.55 0.00 0.00 175.29 174.16 2opv n ASN 16 N 4.82 -5.66 0.00 6.67 5.03 -1.26 -4.97 115.26 119.89 2opv n ASN 16 Ca -0.09 0.73 0.00 0.00 0.87 0.00 0.00 54.58 56.09 2opv n ASN 16 Cb 0.45 -2.05 0.00 0.00 -1.02 0.00 0.00 39.78 37.16 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2opv n GLY 17 N -2.15 -1.96 3.74 7.41 0.00 -0.36 -4.42 105.19 107.44 2opv n GLY 17 Ca 0.00 0.56 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 2opv n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2opv s THR 18 N -0.87 3.59 -0.09 2.61 2.01 0.04 -4.75 115.64 118.18 2opv s THR 18 Ca 0.00 1.34 0.01 0.00 0.31 0.00 0.00 61.69 63.35 2opv s THR 18 Cb 0.00 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.68 2opv s THR 18 CO 0.00 0.22 -0.09 0.54 -0.69 0.00 0.00 174.62 174.60 2opv s VAL 19 N -0.07 1.02 -0.28 3.82 0.11 -1.25 -0.75 120.40 122.99 2opv s VAL 19 Ca 0.53 -0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 59.19 2opv s VAL 19 Cb -0.32 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2opv s VAL 19 CO 0.37 0.35 0.04 -1.10 -3.33 0.00 0.00 175.10 171.43 2opv s GLN 20 N 1.28 2.99 -0.33 1.54 -0.21 -0.27 -4.89 119.66 119.77 2opv s GLN 20 Ca -0.03 -0.91 -0.20 0.00 0.02 0.00 0.00 55.36 54.23 2opv s GLN 20 Cb -0.14 -3.27 -0.00 0.00 1.00 0.00 0.00 33.01 30.60 2opv s GLN 20 CO -0.03 -0.44 0.64 -1.21 -2.12 0.00 0.00 175.29 172.12 2opv s GLU 21 N 1.44 3.80 -0.12 2.91 2.02 -1.24 -1.39 118.70 126.11 2opv s GLU 21 Ca 0.02 0.19 -0.05 0.00 0.02 0.00 0.00 54.97 55.15 2opv s GLU 21 Cb -0.17 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 2opv s GLU 21 CO 0.01 -0.66 0.06 0.42 0.02 0.00 0.00 175.26 175.11 2opv s ILE 22 N 2.68 4.85 -0.81 -1.63 -1.09 -0.26 -4.89 121.20 120.04 2opv s ILE 22 Ca 0.25 -0.03 -0.20 0.00 -2.23 0.00 0.00 60.65 58.44 2opv s ILE 22 Cb -0.15 -3.10 0.11 0.00 -1.58 0.00 0.00 42.46 37.73 2opv s ILE 22 CO 0.13 0.57 1.05 -0.04 -1.23 0.00 0.00 174.94 175.42 2opv s MET 23 N -0.61 3.39 0.01 2.79 -1.94 -1.26 -2.28 119.30 119.39 2opv s MET 23 Ca 0.11 -1.38 -0.30 0.00 -1.71 0.00 0.00 55.69 52.41 2opv s MET 23 Cb -0.12 -4.64 -0.04 0.00 2.01 0.00 0.00 34.83 32.05 2opv s MET 23 CO 0.02 -1.78 1.07 0.42 -0.01 0.00 0.00 175.02 174.74 2opv s ILE 24 N 3.23 4.53 0.00 2.53 -1.09 -0.74 -4.64 121.20 125.03 2opv s ILE 24 Ca 0.28 1.82 -0.35 0.00 -2.23 0.00 0.00 60.65 60.16 2opv s ILE 24 Cb -0.10 -4.17 -0.14 0.00 -1.58 0.00 0.00 42.46 36.47 2opv s ILE 24 CO -0.01 0.12 1.66 -2.65 -1.23 0.00 0.00 174.94 172.82 2opv n PRO 25 N 4.12 1.84 0.19 2.79 -0.02 -1.26 0.07 135.00 142.72 2opv n PRO 25 Ca 0.08 0.67 0.15 0.00 -2.02 0.00 0.00 63.50 62.37 2opv n PRO 25 Cb 0.49 -2.43 0.75 0.00 -0.02 0.00 0.00 33.50 32.29 2opv n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2opv h ALA 26 N 6.91 1.99 0.02 3.55 0.00 -1.94 0.15 119.26 129.94 2opv h ALA 26 Ca -0.47 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 2opv h ALA 26 Cb 1.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2opv h ALA 26 CO 0.90 -0.26 -1.05 0.78 0.00 0.00 0.00 179.25 179.62 2opv h GLY 27 N 0.00 0.04 0.25 0.00 0.00 -1.94 -3.28 103.07 98.15 2opv h GLY 27 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2opv h GLY 27 CO -0.00 0.09 -0.21 0.28 0.00 0.00 0.00 176.54 176.70 2opv n LYS 28 N -3.37 0.91 0.16 4.80 4.76 0.33 -4.08 118.16 121.67 2opv n LYS 28 Ca -0.01 -0.51 0.15 0.00 -2.87 0.00 0.00 58.31 55.06 2opv n LYS 28 Cb 0.95 -1.49 0.71 0.00 -1.84 0.00 0.00 35.03 33.36 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2opv h ALA 29 N 3.75 2.12 0.00 7.82 0.00 -1.08 -0.76 119.26 131.10 2opv h ALA 29 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2opv h ALA 29 Cb 0.48 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2opv h ALA 29 CO 0.00 -0.29 -0.07 0.78 0.00 0.00 0.00 179.25 179.66 2opv h GLY 30 N 0.00 0.00 1.26 0.00 0.00 -1.82 -2.37 103.07 100.14 2opv h GLY 30 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.12 2opv h GLY 30 CO -0.00 0.00 -1.35 1.41 0.00 0.00 0.00 176.54 176.60 2opv h LEU 31 N 0.00 0.86 -0.80 3.11 3.38 -1.44 0.32 115.31 120.75 2opv h LEU 31 Ca -0.00 -0.85 -0.08 0.00 0.09 0.00 0.00 57.88 57.04 2opv h LEU 31 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2opv h LEU 31 CO 0.01 1.65 -0.01 0.58 0.09 0.00 0.00 178.44 180.76 2opv h VAL 32 N 0.22 1.25 -0.15 1.22 2.07 -1.55 -2.66 116.25 116.66 2opv h VAL 32 Ca -0.22 -1.09 -0.15 0.00 0.82 0.00 0.00 66.70 66.06 2opv h VAL 32 Cb 2.03 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2opv h VAL 32 CO 0.25 0.39 -0.51 0.40 0.02 0.00 0.00 177.57 178.12 2opv h ILE 33 N 0.82 1.33 0.00 4.57 2.04 -1.49 -2.97 117.51 121.82 2opv h ILE 33 Ca 0.15 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.24 2opv h ILE 33 Cb 0.51 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2opv h ILE 33 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.33 2opv n GLY 34 N 0.59 1.04 3.47 5.37 0.00 0.51 -2.18 105.19 113.98 2opv n GLY 34 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2opv n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2opv n LYS 35 N -0.04 -4.43 0.00 1.61 4.01 0.84 -3.82 118.16 116.33 2opv n LYS 35 Ca 0.00 0.61 0.00 0.00 -0.51 0.00 0.00 58.31 58.41 2opv n LYS 35 Cb 0.00 -5.42 0.00 0.00 -0.51 0.00 0.00 35.03 29.10 2opv n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2opv n GLY 36 N -1.42 1.37 0.00 0.72 0.00 -1.26 -4.94 105.19 99.65 2opv n GLY 36 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2opv n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 37 N 0.00 0.00 0.29 -0.02 0.00 -1.06 -5.03 105.19 99.38 2opv n GLY 37 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2opv n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2opv h GLU 38 N 0.00 1.03 0.42 1.61 4.39 -1.73 -2.62 114.58 117.67 2opv h GLU 38 Ca 0.00 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 2opv h GLU 38 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2opv h GLU 38 CO 0.00 0.98 -0.20 1.15 -1.16 0.00 0.00 179.01 179.78 2opv h THR 39 N 0.93 0.59 -0.25 1.13 2.02 -1.69 -0.08 112.91 115.55 2opv h THR 39 Ca 0.18 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.20 2opv h THR 39 Cb 0.48 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2opv h THR 39 CO 0.02 0.04 0.17 -0.29 0.37 0.00 0.00 175.52 175.83 2opv h ILE 40 N -0.68 0.94 -0.29 3.11 2.10 -1.27 0.19 117.51 121.61 2opv h ILE 40 Ca -0.06 -0.04 -0.14 0.00 1.08 0.00 0.00 64.86 65.70 2opv h ILE 40 Cb 0.49 0.81 -0.00 0.00 -1.09 0.00 0.00 36.82 37.03 2opv h ILE 40 CO 0.09 0.02 -0.37 0.50 -1.08 0.00 0.00 178.15 177.32 2opv h LYS 41 N 0.12 0.77 -0.34 2.19 3.11 -1.14 -3.12 116.57 118.17 2opv h LYS 41 Ca 0.11 -0.43 -0.14 0.00 -2.81 0.00 0.00 60.65 57.37 2opv h LYS 41 Cb 0.29 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 2opv h LYS 41 CO -0.01 1.06 -0.37 1.96 -2.81 0.00 0.00 179.45 179.28 2opv h GLN 42 N 0.52 0.79 -0.69 1.90 1.08 0.85 -3.16 115.11 116.40 2opv h GLN 42 Ca 0.04 -0.40 0.06 0.00 -1.45 0.00 0.00 58.65 56.91 2opv h GLN 42 Cb 0.96 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.33 2opv h GLN 42 CO 0.09 1.02 0.38 -0.07 -0.95 0.00 0.00 178.83 179.30 2opv h LEU 43 N 0.65 0.55 -1.20 1.46 3.38 -0.71 0.60 115.31 120.04 2opv h LEU 43 Ca 0.06 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2opv h LEU 43 Cb 0.92 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2opv h LEU 43 CO 0.08 0.35 -0.32 1.56 0.09 0.00 0.00 178.44 180.20 2opv h GLN 44 N 0.69 0.13 0.18 1.13 4.20 -1.51 -1.67 115.11 118.26 2opv h GLN 44 Ca 0.31 -0.05 -0.24 0.00 0.06 0.00 0.00 58.65 58.74 2opv h GLN 44 Cb 0.22 -0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.02 2opv h GLN 44 CO -0.20 0.44 -1.05 0.93 -0.67 0.00 0.00 178.83 178.29 2opv h GLU 45 N 0.12 0.38 -0.02 1.46 5.08 -1.32 -2.41 114.58 117.88 2opv h GLU 45 Ca 0.02 -0.65 -0.23 0.00 -1.00 0.00 0.00 59.36 57.50 2opv h GLU 45 Cb 0.63 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2opv h GLU 45 CO 0.05 1.31 -0.93 0.07 -1.00 0.00 0.00 179.01 178.51 2opv h ARG 46 N -0.20 0.47 0.00 2.33 0.11 -0.83 -3.27 114.38 113.00 2opv h ARG 46 Ca -0.18 -0.49 0.00 0.00 0.10 0.00 0.00 59.98 59.41 2opv h ARG 46 Cb 1.82 0.13 0.00 0.00 1.11 0.00 0.00 29.97 33.04 2opv h ARG 46 CO 0.19 1.13 -1.37 0.00 0.10 0.00 0.00 179.97 180.03 2opv n ALA 47 N -2.56 3.13 -0.99 0.08 0.00 -0.64 -4.96 120.51 114.58 2opv n ALA 47 Ca -0.07 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2opv n ALA 47 Cb 0.82 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2opv n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2opv n GLY 48 N 1.30 0.82 3.98 0.00 0.00 -0.91 -4.90 105.19 105.48 2opv n GLY 48 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2opv n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2opv s VAL 49 N -3.30 3.79 -0.23 1.61 -7.23 -1.21 -4.89 120.40 108.94 2opv s VAL 49 Ca 0.00 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.28 2opv s VAL 49 Cb 0.00 -3.34 -0.03 0.00 0.56 0.00 0.00 36.38 33.56 2opv s VAL 49 CO 0.00 -0.18 0.07 -0.75 -0.31 0.00 0.00 175.10 173.94 2opv s LYS 50 N -4.37 3.75 -0.22 4.82 2.20 0.45 -4.25 119.74 122.13 2opv s LYS 50 Ca 0.48 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 2opv s LYS 50 Cb -0.10 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.95 2opv s LYS 50 CO 0.34 -0.06 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.49 2opv s MET 51 N 1.27 2.72 -0.42 4.03 -1.94 -1.26 0.33 119.30 124.04 2opv s MET 51 Ca 0.05 -1.02 -0.10 0.00 -1.71 0.00 0.00 55.69 52.90 2opv s MET 51 Cb -0.15 -2.75 0.07 0.00 2.01 0.00 0.00 34.83 34.02 2opv s MET 51 CO 0.04 -0.36 0.28 -1.50 -0.01 0.00 0.00 175.02 173.46 2opv s ILE 52 N 1.24 4.42 -0.64 2.53 2.07 -0.71 -4.99 121.20 125.12 2opv s ILE 52 Ca -0.00 -1.29 -0.28 0.00 -1.41 0.00 0.00 60.65 57.67 2opv s ILE 52 Cb -0.16 -3.67 0.02 0.00 0.13 0.00 0.00 42.46 38.78 2opv s ILE 52 CO -0.09 -0.49 1.32 -0.76 -1.91 0.00 0.00 174.94 173.00 2opv s LEU 53 N 1.47 3.32 -0.97 8.50 2.01 -1.26 -2.88 118.68 128.87 2opv s LEU 53 Ca 0.03 -0.06 -0.24 0.00 0.01 0.00 0.00 54.13 53.88 2opv s LEU 53 Cb -0.23 -2.87 -0.02 0.00 0.01 0.00 0.00 46.19 43.09 2opv s LEU 53 CO 0.03 -1.73 1.78 -0.63 1.01 0.00 0.00 176.35 176.82 2opv s ILE 54 N 5.75 3.62 -0.22 -0.59 1.01 -0.90 -4.63 121.20 125.24 2opv s ILE 54 Ca 0.43 -0.57 0.11 0.00 0.00 0.00 0.00 60.65 60.62 2opv s ILE 54 Cb -0.09 -4.41 -0.21 0.00 0.01 0.00 0.00 42.46 37.76 2opv s ILE 54 CO 0.21 -1.30 -0.06 0.00 0.00 0.00 0.00 174.94 173.80 2opv n GLN 55 N 8.82 0.72 -0.20 2.79 6.02 -1.26 -4.35 117.38 129.91 2opv n GLN 55 Ca 0.38 0.06 0.11 0.00 -0.01 0.00 0.00 57.00 57.54 2opv n GLN 55 Cb 0.48 -1.51 0.26 0.00 1.02 0.00 0.00 30.24 30.50 2opv n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2opv n ASP 56 N -2.95 2.98 -2.61 1.08 8.00 -1.26 -4.92 116.55 116.87 2opv n ASP 56 Ca -0.38 -1.93 -0.09 0.00 0.71 0.00 0.00 54.79 53.10 2opv n ASP 56 Cb 1.07 -0.26 0.06 0.00 -0.02 0.00 0.00 41.12 41.98 2opv n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2opv n GLY 57 N 1.41 -1.11 1.09 0.44 0.00 -1.26 -5.05 105.19 100.71 2opv n GLY 57 Ca 0.19 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 2opv n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2opv n SER 58 N -3.25 0.01 -0.11 1.61 3.41 -1.26 -4.72 113.62 109.30 2opv n SER 58 Ca 0.05 -1.89 -0.24 0.00 -0.26 0.00 0.00 58.87 56.53 2opv n SER 58 Cb 0.18 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 2opv n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2opv n GLN 59 N 0.20 0.57 -2.15 4.33 10.64 -1.26 -4.74 117.38 124.96 2opv n GLN 59 Ca -0.09 0.47 0.01 0.00 -1.83 0.00 0.00 57.00 55.56 2opv n GLN 59 Cb 0.86 -1.66 0.04 0.00 -0.86 0.00 0.00 30.24 28.62 2opv n GLN 59 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2opv n ASN 60 N -4.38 0.93 0.09 2.61 4.13 -1.26 -4.94 115.26 112.43 2opv n ASN 60 Ca -0.38 -2.03 -0.08 0.00 1.68 0.00 0.00 54.58 53.77 2opv n ASN 60 Cb 0.73 -0.26 -0.02 0.00 -1.54 0.00 0.00 39.78 38.68 2opv n ASN 60 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2opv h THR 61 N 6.02 1.54 -0.00 3.41 2.02 -1.84 -2.88 112.91 121.17 2opv h THR 61 Ca -0.23 -2.78 0.00 0.00 0.77 0.00 0.00 66.41 64.17 2opv h THR 61 Cb 1.54 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.50 2opv h THR 61 CO 0.09 0.80 -0.01 -0.46 0.37 0.00 0.00 175.52 176.31 2opv n ASN 62 N -3.59 0.37 0.00 4.18 0.23 -1.26 -4.83 115.26 110.36 2opv n ASN 62 Ca -0.03 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 2opv n ASN 62 Cb 0.83 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.50 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 2opv n VAL 63 N -0.78 0.00 -1.70 3.53 0.24 -1.09 -5.04 118.33 113.50 2opv n VAL 63 Ca 0.21 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 62.07 2opv n VAL 63 Cb 0.19 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.54 2opv n VAL 63 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2opv n ASP 64 N 0.00 3.19 -4.71 -1.34 9.92 -1.26 -4.35 116.55 118.01 2opv n ASP 64 Ca 0.00 1.14 -0.41 0.00 -0.53 0.00 0.00 54.79 54.99 2opv n ASP 64 Cb 0.00 -1.49 -0.04 0.00 -0.64 0.00 0.00 41.12 38.95 2opv n ASP 64 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2opv s LYS 65 N -0.31 4.46 -0.45 -1.24 -0.14 0.11 -4.62 119.74 117.55 2opv s LYS 65 Ca 0.68 1.08 -0.28 0.00 -1.36 0.00 0.00 55.97 56.09 2opv s LYS 65 Cb -0.59 -3.47 -0.02 0.00 -1.68 0.00 0.00 37.83 32.07 2opv s LYS 65 CO 0.48 -0.03 1.82 -2.14 -0.76 0.00 0.00 175.35 174.72 2opv s PRO 66 N 1.06 3.04 -0.34 -1.68 0.02 -1.26 -1.79 135.00 134.04 2opv s PRO 66 Ca 0.43 1.09 -0.01 0.00 0.02 0.00 0.00 61.00 62.53 2opv s PRO 66 Cb -0.19 -4.27 0.08 0.00 0.02 0.00 0.00 34.50 30.15 2opv s PRO 66 CO 0.21 -2.22 0.08 -1.17 -0.33 0.00 0.00 177.00 173.57 2opv s LEU 67 N 7.80 4.54 -0.47 -5.54 2.96 -0.96 -2.12 118.68 124.89 2opv s LEU 67 Ca 0.75 -1.75 -0.21 0.00 -0.22 0.00 0.00 54.13 52.70 2opv s LEU 67 Cb -0.18 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.82 2opv s LEU 67 CO 0.28 -0.38 0.68 -0.13 -1.32 0.00 0.00 176.35 175.48 2opv s ARG 68 N 1.12 3.25 -0.52 1.98 0.52 -1.14 -1.10 118.95 123.06 2opv s ARG 68 Ca 0.03 -0.49 -0.19 0.00 -0.52 0.00 0.00 55.73 54.56 2opv s ARG 68 Cb -0.21 -4.00 0.07 0.00 0.52 0.00 0.00 34.95 31.33 2opv s ARG 68 CO -0.04 -1.13 0.62 0.42 0.02 0.00 0.00 175.30 175.18 2opv s ILE 69 N 2.93 4.90 -0.17 1.52 1.01 -0.49 -1.75 121.20 129.16 2opv s ILE 69 Ca 0.22 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 2opv s ILE 69 Cb -0.15 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 2opv s ILE 69 CO 0.17 -0.85 -0.06 -0.63 0.00 0.00 0.00 174.94 173.58 2opv s ILE 70 N 2.54 3.58 -1.17 2.92 1.01 0.15 -1.11 121.20 129.13 2opv s ILE 70 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2opv s ILE 70 Cb -0.21 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.69 2opv s ILE 70 CO 0.10 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2opv n GLY 71 N 3.84 -0.76 3.78 6.18 0.00 0.07 -0.41 105.19 117.88 2opv n GLY 71 Ca -0.18 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 2opv n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2opv s ASP 72 N -4.00 7.38 0.23 1.61 1.01 -1.26 -0.78 116.67 120.86 2opv s ASP 72 Ca 0.00 1.64 -0.17 0.00 0.71 0.00 0.00 52.55 54.74 2opv s ASP 72 Cb 0.00 -2.50 0.25 0.00 1.01 0.00 0.00 42.92 41.68 2opv s ASP 72 CO 0.00 0.21 1.56 -0.65 0.21 0.00 0.00 175.17 176.50 2opv h PRO 73 N 4.30 -0.03 0.01 8.23 0.11 -1.90 -0.90 132.00 141.81 2opv h PRO 73 Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 2opv h PRO 73 Cb 1.21 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2opv h PRO 73 CO 0.66 -0.02 -0.90 0.10 -0.21 0.00 0.00 178.00 177.63 2opv h TYR 74 N -0.03 0.32 -0.00 0.65 -0.00 -1.94 -2.61 116.97 113.36 2opv h TYR 74 Ca 0.34 -0.18 -0.13 0.00 0.00 0.00 0.00 58.73 58.76 2opv h TYR 74 Cb 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 36.73 37.28 2opv h TYR 74 CO -0.80 1.00 -0.63 1.57 -0.00 0.00 0.00 178.16 179.31 2opv h LYS 75 N 0.12 0.01 -0.75 0.10 2.10 -1.69 0.93 116.57 117.40 2opv h LYS 75 Ca -0.05 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.55 2opv h LYS 75 Cb 1.54 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.84 2opv h LYS 75 CO 0.14 0.63 0.31 0.28 -2.00 0.00 0.00 179.45 178.81 2opv h VAL 76 N 0.01 1.25 -0.07 0.07 2.07 -1.03 0.29 116.25 118.83 2opv h VAL 76 Ca -0.01 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 2opv h VAL 76 Cb 1.11 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2opv h VAL 76 CO 0.08 0.32 -0.24 -0.61 0.02 0.00 0.00 177.57 177.14 2opv h GLN 77 N 1.07 0.29 -0.91 1.57 5.75 -1.23 0.36 115.11 122.01 2opv h GLN 77 Ca 0.25 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2opv h GLN 77 Cb 0.20 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 2opv h GLN 77 CO -0.02 0.84 0.52 1.96 -2.65 0.00 0.00 178.83 179.48 2opv h GLN 78 N -0.21 1.26 -0.08 1.69 4.20 -0.66 0.43 115.11 121.74 2opv h GLN 78 Ca -0.01 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.42 2opv h GLN 78 Cb 0.87 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2opv h GLN 78 CO 0.05 0.90 -0.59 0.00 -0.67 0.00 0.00 178.83 178.53 2opv h ALA 79 N 1.29 0.86 0.68 3.87 0.00 -0.46 -1.78 119.26 123.72 2opv h ALA 79 Ca 0.32 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2opv h ALA 79 Cb -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2opv h ALA 79 CO -0.06 0.72 -0.33 0.00 0.00 0.00 0.00 179.25 179.58 2opv h GLU 81 N -0.98 0.00 0.01 0.00 4.39 -0.97 0.67 114.58 117.70 2opv h GLU 81 Ca -0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2opv h GLU 81 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2opv h GLU 81 CO 0.15 0.11 -0.00 1.98 -1.16 0.00 0.00 179.01 180.09 2opv h MET 82 N 0.00 -0.01 0.14 2.33 4.05 -1.06 -0.48 114.93 119.91 2opv h MET 82 Ca -0.00 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.11 2opv h MET 82 Cb 0.20 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2opv h MET 82 CO 0.01 0.16 -1.53 -0.39 0.23 0.00 0.00 176.91 175.39 2opv h VAL 83 N -0.17 1.17 -0.43 -5.77 -1.51 -0.70 -3.24 116.25 105.60 2opv h VAL 83 Ca -0.00 -2.78 -0.07 0.00 -1.23 0.00 0.00 66.70 62.62 2opv h VAL 83 Cb 0.17 2.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.10 2opv h VAL 83 CO 0.00 0.83 -0.04 -0.03 -1.23 0.00 0.00 177.57 177.10 2opv h MET 84 N 0.08 0.71 -0.66 5.19 -1.53 0.28 -2.49 114.93 116.51 2opv h MET 84 Ca -0.25 -0.19 -0.03 0.00 -3.44 0.00 0.00 59.70 55.79 2opv h MET 84 Cb 2.03 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 32.97 2opv h MET 84 CO 0.18 0.75 0.31 0.22 0.14 0.00 0.00 176.91 178.50 2opv h ASP 85 N 0.66 0.87 -0.06 1.39 3.58 -1.17 0.46 116.42 122.15 2opv h ASP 85 Ca 0.13 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2opv h ASP 85 Cb 0.46 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2opv h ASP 85 CO 0.02 0.76 0.01 0.40 -2.88 0.00 0.00 179.24 177.55 2opv h ILE 86 N 0.91 1.08 0.05 2.25 2.04 -1.48 0.97 117.51 123.33 2opv h ILE 86 Ca 0.22 -0.29 -0.31 0.00 1.00 0.00 0.00 64.86 65.49 2opv h ILE 86 Cb 0.13 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2opv h ILE 86 CO -0.03 0.10 -1.71 -0.07 0.00 0.00 0.00 178.15 176.44 2opv h LEU 87 N 0.17 0.17 -0.16 1.44 3.38 -0.96 -3.25 115.31 116.09 2opv h LEU 87 Ca 0.04 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2opv h LEU 87 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2opv h LEU 87 CO 0.00 1.29 0.00 -1.14 0.09 0.00 0.00 178.44 178.68 2opv n ARG 88 N -3.24 0.21 0.00 1.13 3.00 0.15 -4.99 116.66 112.93 2opv n ARG 88 Ca -0.20 0.24 0.15 0.00 -0.00 0.00 0.00 57.85 58.05 2opv n ARG 88 Cb 1.04 -1.78 0.82 0.00 0.00 0.00 0.00 32.46 32.54 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72