#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n PHE 2 N 0.00 -2.98 -2.68 1.12 3.72 -1.26 -3.33 117.46 112.05 2qba n PHE 2 Ca 0.00 1.17 -0.43 0.00 -0.05 0.00 0.00 57.45 58.14 2qba n PHE 2 Cb 0.00 -3.84 -0.03 0.00 -0.94 0.00 0.00 39.48 34.68 2qba n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qba s THR 3 N -2.83 4.38 -0.65 4.37 -4.23 -1.25 -0.14 115.64 115.29 2qba s THR 3 Ca 0.08 1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 61.74 2qba s THR 3 Cb -0.02 -4.49 0.17 0.00 1.34 0.00 0.00 72.50 69.50 2qba s THR 3 CO 0.78 -0.78 0.56 -0.63 -0.54 0.00 0.00 174.62 174.00 2qba s ILE 4 N 4.00 4.86 0.34 2.99 1.01 0.32 -4.89 121.20 129.83 2qba s ILE 4 Ca 0.44 -2.21 -0.25 0.00 0.00 0.00 0.00 60.65 58.63 2qba s ILE 4 Cb -0.10 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 2qba s ILE 4 CO 0.25 -0.91 0.95 0.54 0.00 0.00 0.00 174.94 175.77 2qba s ASN 5 N 2.30 7.26 0.00 3.58 4.22 -1.25 0.16 114.94 131.21 2qba s ASN 5 Ca 0.12 1.83 0.00 0.00 -2.14 0.00 0.00 52.86 52.67 2qba s ASN 5 Cb -0.20 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.76 2qba s ASN 5 CO -0.04 -0.12 0.00 0.00 -2.04 0.00 0.00 177.10 174.90 2qba n ALA 6 N 0.39 0.00 -3.61 3.54 0.00 -0.68 -4.37 120.51 115.78 2qba n ALA 6 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 2qba n ALA 6 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 2qba n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2qba s GLU 7 N 3.67 0.31 0.37 0.00 -1.05 -1.26 -4.34 118.70 116.40 2qba s GLU 7 Ca 0.00 -0.15 -0.27 0.00 -0.15 0.00 0.00 54.97 54.40 2qba s GLU 7 Cb 0.00 0.12 -0.09 0.00 -0.44 0.00 0.00 34.13 33.72 2qba s GLU 7 CO 0.00 -0.14 1.22 0.08 0.95 0.00 0.00 175.26 177.37 2qba s VAL 8 N -2.36 3.00 0.09 1.83 1.01 -1.26 -0.38 120.40 122.33 2qba s VAL 8 Ca 0.13 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.71 2qba s VAL 8 Cb 0.03 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 2qba s VAL 8 CO -0.04 0.15 1.34 -0.13 0.00 0.00 0.00 175.10 176.42 2qba s ARG 9 N -2.04 4.34 0.09 2.72 1.81 0.18 -4.73 118.95 121.31 2qba s ARG 9 Ca 0.53 1.99 -0.15 0.00 -1.72 0.00 0.00 55.73 56.37 2qba s ARG 9 Cb -0.34 -3.31 -0.11 0.00 -0.45 0.00 0.00 34.95 30.73 2qba s ARG 9 CO 0.44 -0.41 1.37 -0.22 -0.68 0.00 0.00 175.30 175.80 2qba h LYS 10 N 6.93 0.66 0.00 3.54 3.64 -1.93 -3.48 116.57 125.93 2qba h LYS 10 Ca -0.41 -0.40 -0.12 0.00 -1.27 0.00 0.00 60.65 58.45 2qba h LYS 10 Cb 1.21 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2qba h LYS 10 CO 0.86 1.01 -0.12 0.39 -2.27 0.00 0.00 179.45 179.32 2qba n GLU 11 N -4.24 0.17 -3.97 1.90 1.02 -1.26 -5.19 120.64 109.07 2qba n GLU 11 Ca -0.05 -0.84 -0.11 0.00 -0.02 0.00 0.00 57.16 56.14 2qba n GLU 11 Cb 0.52 0.67 -0.02 0.00 -0.02 0.00 0.00 31.44 32.58 2qba n GLU 11 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2qba s GLN 12 N -2.34 1.92 0.00 3.49 1.03 -1.26 -4.84 119.66 117.66 2qba s GLN 12 Ca 0.10 -1.50 0.00 0.00 0.04 0.00 0.00 55.36 53.99 2qba s GLN 12 Cb 0.00 0.51 0.00 0.00 0.03 0.00 0.00 33.01 33.56 2qba s GLN 12 CO 0.07 -0.84 0.00 0.41 -2.54 0.00 0.00 175.29 172.39 2qba n GLY 13 N -0.51 1.13 0.30 2.60 0.00 -1.26 -4.23 105.19 103.22 2qba n GLY 13 Ca -0.03 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.27 2qba n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qba h LYS 14 N 0.00 0.24 0.00 1.61 3.64 -2.01 -1.76 116.57 118.28 2qba h LYS 14 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qba h LYS 14 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2qba h LYS 14 CO 0.00 0.16 0.00 0.41 -2.27 0.00 0.00 179.45 177.75 2qba n GLY 15 N -1.37 -2.97 0.44 5.01 0.00 -1.26 -1.28 105.19 103.76 2qba n GLY 15 Ca 0.20 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 2qba n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba h ALA 16 N -1.91 -0.70 -0.65 4.61 0.00 -1.71 -1.87 119.26 117.03 2qba h ALA 16 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2qba h ALA 16 Cb 0.00 1.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 2qba h ALA 16 CO 0.00 -1.00 -0.16 0.77 0.00 0.00 0.00 179.25 178.85 2qba h SER 17 N -0.44 -0.61 -0.41 0.00 0.02 -1.41 0.21 113.55 110.91 2qba h SER 17 Ca 0.08 0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2qba h SER 17 Cb 0.62 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2qba h SER 17 CO -0.53 -0.22 0.26 -0.09 -1.14 0.00 0.00 176.83 175.11 2qba h ARG 18 N -0.00 0.56 -0.46 3.45 9.65 -0.57 -1.95 114.38 125.06 2qba h ARG 18 Ca 0.31 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 59.03 2qba h ARG 18 Cb 0.48 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 2qba h ARG 18 CO -0.67 0.39 -0.19 0.00 2.80 0.00 0.00 179.97 182.30 2qba h ARG 19 N 0.57 0.91 -0.31 0.20 3.08 0.14 -3.22 114.38 115.75 2qba h ARG 19 Ca 0.15 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2qba h ARG 19 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2qba h ARG 19 CO -0.03 1.01 0.18 -0.07 -1.07 0.00 0.00 179.97 179.99 2qba h LEU 20 N 0.79 0.38 -2.13 3.04 3.38 -0.45 -2.32 115.31 118.00 2qba h LEU 20 Ca 0.11 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2qba h LEU 20 Cb 0.73 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2qba h LEU 20 CO 0.06 0.34 0.19 0.03 0.09 0.00 0.00 178.44 179.14 2qba h ARG 21 N 0.39 0.00 0.00 1.13 3.08 -1.41 0.39 114.38 117.96 2qba h ARG 21 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2qba h ARG 21 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2qba h ARG 21 CO -0.02 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.79 2qba h ALA 22 N 1.83 1.27 -0.55 0.04 0.00 -1.44 -1.66 119.26 118.74 2qba h ALA 22 Ca 0.10 -0.08 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 2qba h ALA 22 Cb 0.47 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.04 2qba h ALA 22 CO -0.00 0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.31 2qba n ALA 23 N -2.26 4.82 0.00 0.00 0.00 0.14 -4.98 120.51 118.23 2qba n ALA 23 Ca -0.02 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.12 2qba n ALA 23 Cb 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2qba n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qba n ASN 24 N -1.03 0.00 -4.43 0.00 4.13 -0.63 -4.87 115.26 108.43 2qba n ASN 24 Ca 0.41 0.00 -0.48 0.00 1.68 0.00 0.00 54.58 56.19 2qba n ASN 24 Cb 1.02 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 39.16 2qba n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qba n LYS 25 N 0.00 0.47 -3.98 3.52 5.02 -1.22 -3.73 118.16 118.24 2qba n LYS 25 Ca 0.00 0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 2qba n LYS 25 Cb 0.00 -2.06 -0.08 0.00 -0.02 0.00 0.00 35.03 32.87 2qba n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qba s PHE 26 N 8.22 3.39 1.15 2.13 -0.12 -0.85 -3.01 117.98 128.90 2qba s PHE 26 Ca 1.19 0.31 -0.15 0.00 -0.05 0.00 0.00 56.93 58.23 2qba s PHE 26 Cb -1.04 -1.99 0.27 0.00 -0.63 0.00 0.00 43.02 39.62 2qba s PHE 26 CO 0.50 0.45 1.05 -1.25 -0.05 0.00 0.00 175.22 175.93 2qba s PRO 27 N -0.38 -0.81 -0.00 1.99 0.04 -1.26 -3.36 135.00 131.23 2qba s PRO 27 Ca 0.10 0.45 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 2qba s PRO 27 Cb -0.12 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2qba s PRO 27 CO 0.02 -3.55 0.00 0.00 0.04 0.00 0.00 177.00 173.51 2qba n ALA 28 N -4.74 -0.01 -2.86 8.56 0.00 -1.04 -3.98 120.51 116.44 2qba n ALA 28 Ca 0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 2qba n ALA 28 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 2qba n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qba s ILE 29 N -2.10 0.07 -0.11 0.00 -5.25 -1.22 -3.19 121.20 109.40 2qba s ILE 29 Ca 0.00 -1.12 -0.03 0.00 -0.99 0.00 0.00 60.65 58.51 2qba s ILE 29 Cb -0.00 -1.62 0.04 0.00 2.95 0.00 0.00 42.46 43.83 2qba s ILE 29 CO -0.00 -0.32 0.04 -0.63 -1.79 0.00 0.00 174.94 172.24 2qba s ILE 30 N -3.91 0.19 0.13 8.37 1.01 -0.75 -1.47 121.20 124.77 2qba s ILE 30 Ca 0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 2qba s ILE 30 Cb 0.02 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 2qba s ILE 30 CO -0.04 0.03 0.22 -0.72 0.00 0.00 0.00 174.94 174.43 2qba s TYR 31 N 2.03 0.37 0.00 3.97 -0.85 -0.83 -0.86 117.35 121.18 2qba s TYR 31 Ca 0.03 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 2qba s TYR 31 Cb -0.14 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.09 2qba s TYR 31 CO -0.06 -0.63 0.00 0.41 -1.52 0.00 0.00 175.55 173.75 2qba n GLY 32 N -0.14 0.71 0.00 5.49 0.00 -1.26 -2.01 105.19 107.98 2qba n GLY 32 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2qba n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 33 N 0.00 -0.44 0.13 -0.02 0.00 -1.26 -3.92 105.19 99.69 2qba n GLY 33 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 2qba n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qba n LYS 34 N 0.00 0.55 -2.15 1.61 5.02 -1.26 -4.99 118.16 116.95 2qba n LYS 34 Ca 0.00 0.14 -0.35 0.00 -2.02 0.00 0.00 58.31 56.08 2qba n LYS 34 Cb 0.00 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 2qba n LYS 34 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2qba s GLU 35 N -2.45 3.18 0.65 1.97 -1.05 -1.26 -5.01 118.70 114.73 2qba s GLU 35 Ca -0.31 1.71 -0.12 0.00 -0.15 0.00 0.00 54.97 56.10 2qba s GLU 35 Cb 0.09 -1.97 -0.02 0.00 -0.44 0.00 0.00 34.13 31.79 2qba s GLU 35 CO 0.50 -1.01 1.05 0.00 0.95 0.00 0.00 175.26 176.75 2qba s ALA 36 N -1.69 2.80 -0.62 -0.84 0.00 -1.26 -4.62 121.76 115.53 2qba s ALA 36 Ca 0.75 0.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 2qba s ALA 36 Cb -0.27 -3.16 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 2qba s ALA 36 CO 0.30 -0.97 2.43 -2.30 0.00 0.00 0.00 175.76 175.22 2qba n PRO 37 N -2.76 0.66 -2.34 0.00 -0.02 -1.25 -4.85 135.00 124.44 2qba n PRO 37 Ca 0.07 0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 2qba n PRO 37 Cb 0.54 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 2qba n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qba s LEU 38 N 9.44 4.22 -0.50 2.45 2.96 -0.04 -4.76 118.68 132.44 2qba s LEU 38 Ca 1.15 1.82 -0.24 0.00 -0.22 0.00 0.00 54.13 56.63 2qba s LEU 38 Cb -0.80 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 42.39 2qba s LEU 38 CO 0.42 -0.78 0.91 0.00 -1.32 0.00 0.00 176.35 175.58 2qba s ALA 39 N 3.51 3.21 0.47 5.97 0.00 -1.26 -1.81 121.76 131.85 2qba s ALA 39 Ca 0.59 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.59 2qba s ALA 39 Cb -0.24 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 2qba s ALA 39 CO 0.18 -2.18 0.23 0.96 0.00 0.00 0.00 175.76 174.96 2qba s ILE 40 N 3.76 1.95 -0.43 0.00 -0.00 -1.19 0.49 121.20 125.78 2qba s ILE 40 Ca 0.33 -1.66 0.07 0.00 -0.00 0.00 0.00 60.65 59.39 2qba s ILE 40 Cb -0.11 -2.61 0.24 0.00 -0.00 0.00 0.00 42.46 39.98 2qba s ILE 40 CO 0.23 0.00 0.65 -1.84 -0.00 0.00 0.00 174.94 173.97 2qba n GLU 41 N -1.42 0.70 -1.03 0.37 0.28 0.49 -2.50 120.64 117.52 2qba n GLU 41 Ca -0.04 -2.67 -0.31 0.00 -0.16 0.00 0.00 57.16 53.99 2qba n GLU 41 Cb 0.65 -1.33 0.12 0.00 1.43 0.00 0.00 31.44 32.31 2qba n GLU 41 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2qba s LEU 42 N -0.89 2.97 0.56 -1.84 2.34 -1.21 -4.35 118.68 116.25 2qba s LEU 42 Ca 0.34 1.99 -0.17 0.00 0.06 0.00 0.00 54.13 56.35 2qba s LEU 42 Cb 0.18 -4.54 -0.05 0.00 -0.56 0.00 0.00 46.19 41.21 2qba s LEU 42 CO -0.16 -2.48 1.04 -0.62 -1.06 0.00 0.00 176.35 173.06 2qba s ASP 43 N -3.06 6.08 -0.01 1.48 -1.08 -1.26 -2.00 116.67 116.83 2qba s ASP 43 Ca 0.64 1.78 -0.00 0.00 -0.52 0.00 0.00 52.55 54.44 2qba s ASP 43 Cb -0.20 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2qba s ASP 43 CO 0.56 -0.96 -0.00 -0.74 0.52 0.00 0.00 175.17 174.55 2qba h HIS 44 N 0.76 0.00 -0.63 -5.34 -0.00 -1.92 -3.19 115.15 104.82 2qba h HIS 44 Ca -0.47 0.00 0.26 0.00 -0.00 0.00 0.00 60.37 60.16 2qba h HIS 44 Cb 1.21 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.51 2qba h HIS 44 CO 0.59 0.00 0.33 -0.25 -0.00 0.00 0.00 177.93 178.61 2qba n ASP 45 N -2.31 0.21 0.00 3.26 8.00 -1.26 0.58 116.55 125.03 2qba n ASP 45 Ca -0.00 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.55 2qba n ASP 45 Cb 0.01 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 2qba n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qba n LYS 46 N -4.44 0.00 -0.26 -1.24 4.01 -1.26 -3.91 118.16 111.06 2qba n LYS 46 Ca 0.24 0.47 0.26 0.00 -0.51 0.00 0.00 58.31 58.77 2qba n LYS 46 Cb 0.81 -1.05 0.63 0.00 -0.51 0.00 0.00 35.03 34.91 2qba n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qba h VAL 47 N 0.00 0.54 -0.35 -0.18 2.07 -1.28 0.16 116.25 117.22 2qba h VAL 47 Ca 0.00 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2qba h VAL 47 Cb 0.00 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2qba h VAL 47 CO 0.00 0.03 0.25 -0.03 0.02 0.00 0.00 177.57 177.85 2qba h MET 48 N 0.19 0.00 0.10 1.57 -1.53 -0.01 -2.20 114.93 113.05 2qba h MET 48 Ca 0.50 0.00 -0.36 0.00 -3.44 0.00 0.00 59.70 56.40 2qba h MET 48 Cb 1.64 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.67 2qba h MET 48 CO -0.12 0.00 -2.04 0.09 0.14 0.00 0.00 176.91 174.98 2qba n ASN 49 N -4.40 2.01 -0.19 1.39 3.02 0.53 -4.02 115.26 113.60 2qba n ASN 49 Ca 0.05 0.18 0.10 0.00 -0.03 0.00 0.00 54.58 54.89 2qba n ASN 49 Cb 0.43 -0.74 0.40 0.00 -0.61 0.00 0.00 39.78 39.26 2qba n ASN 49 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2qba h MET 50 N 0.06 0.62 0.00 3.52 2.86 -1.16 0.13 114.93 120.95 2qba h MET 50 Ca -0.43 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.14 2qba h MET 50 Cb 2.02 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.54 2qba h MET 50 CO 0.07 0.41 -0.14 -0.56 1.06 0.00 0.00 176.91 177.75 2qba h GLN 51 N 0.64 0.00 -0.99 1.72 -0.00 -1.58 -3.09 115.11 111.82 2qba h GLN 51 Ca 0.36 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 59.05 2qba h GLN 51 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.95 2qba h GLN 51 CO -0.13 0.14 0.65 0.00 -0.00 0.00 0.00 178.83 179.49 2qba h ALA 52 N 1.86 1.33 -1.99 0.06 0.00 -0.87 -3.39 119.26 116.26 2qba h ALA 52 Ca -0.00 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 2qba h ALA 52 Cb 0.66 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2qba h ALA 52 CO 0.02 0.51 0.84 0.21 0.00 0.00 0.00 179.25 180.83 2qba s LYS 53 N -6.07 4.11 0.56 0.00 2.36 -1.17 -4.90 119.74 114.64 2qba s LYS 53 Ca -0.13 1.15 0.41 0.00 -2.55 0.00 0.00 55.97 54.86 2qba s LYS 53 Cb 0.19 -3.71 1.58 0.00 -1.05 0.00 0.00 37.83 34.84 2qba s LYS 53 CO 0.81 -0.83 1.68 0.00 1.55 0.00 0.00 175.35 178.56 2qba h ALA 54 N 7.94 3.38 -0.03 3.13 0.00 -1.87 0.41 119.26 132.23 2qba h ALA 54 Ca -0.20 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2qba h ALA 54 Cb 1.06 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qba h ALA 54 CO 1.02 -1.86 0.12 0.93 0.00 0.00 0.00 179.25 179.46 2qba h GLU 55 N 0.00 0.00 0.00 0.00 3.07 -1.90 0.18 114.58 115.93 2qba h GLU 55 Ca 0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 2qba h GLU 55 Cb 2.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.80 2qba h GLU 55 CO -0.01 0.00 0.00 0.35 -1.40 0.00 0.00 179.01 177.95 2qba h PHE 56 N 0.00 0.00 -0.26 4.33 3.57 -0.37 -1.77 116.94 122.44 2qba h PHE 56 Ca 0.01 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2qba h PHE 56 Cb 0.26 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 2qba h PHE 56 CO 0.00 0.00 -0.13 0.66 -2.23 0.00 0.00 178.31 176.61 2qba n TYR 57 N -2.98 0.82 0.00 0.41 4.02 0.05 -4.59 117.16 114.89 2qba n TYR 57 Ca -0.00 -1.44 0.00 0.00 -0.01 0.00 0.00 57.90 56.44 2qba n TYR 57 Cb 0.21 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 2qba n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qba n SER 58 N -1.06 0.00 -4.95 7.72 7.64 -0.99 -4.97 113.62 117.01 2qba n SER 58 Ca 0.28 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.93 2qba n SER 58 Cb 0.93 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 2qba n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qba s GLU 59 N -1.00 3.45 -1.24 1.43 -6.30 -0.70 -5.01 118.70 109.33 2qba s GLU 59 Ca 0.00 -0.50 -0.19 0.00 -2.50 0.00 0.00 54.97 51.78 2qba s GLU 59 Cb 0.00 -2.74 0.07 0.00 0.00 0.00 0.00 34.13 31.46 2qba s GLU 59 CO 0.00 0.23 1.68 0.08 0.02 0.00 0.00 175.26 177.27 2qba s VAL 60 N -2.21 4.08 0.31 3.70 1.01 -1.26 -4.72 120.40 121.30 2qba s VAL 60 Ca 0.38 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 2qba s VAL 60 Cb -0.09 -5.17 -0.16 0.00 0.00 0.00 0.00 36.38 30.96 2qba s VAL 60 CO 0.34 -2.01 0.28 0.18 0.00 0.00 0.00 175.10 173.89 2qba n LEU 61 N 8.52 -2.14 -4.13 3.92 4.77 -0.10 -4.43 117.00 123.41 2qba n LEU 61 Ca 0.46 0.95 -0.38 0.00 -0.03 0.00 0.00 56.01 57.01 2qba n LEU 61 Cb 0.47 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 2qba n LEU 61 CO 0.75 -3.65 0.11 0.42 -1.33 0.00 0.00 177.39 173.68 2qba s THR 62 N -1.37 4.03 -0.10 -5.08 -4.23 0.81 0.02 115.64 109.72 2qba s THR 62 Ca 0.61 -2.91 -0.28 0.00 -1.18 0.00 0.00 61.69 57.94 2qba s THR 62 Cb -0.77 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 69.46 2qba s THR 62 CO 0.60 -0.91 0.91 -0.63 -0.54 0.00 0.00 174.62 174.05 2qba s ILE 63 N -0.07 4.86 -0.28 2.99 1.09 -1.26 0.12 121.20 128.65 2qba s ILE 63 Ca 0.17 1.85 -0.02 0.00 -1.10 0.00 0.00 60.65 61.55 2qba s ILE 63 Cb -0.18 -4.23 0.04 0.00 -1.06 0.00 0.00 42.46 37.03 2qba s ILE 63 CO -0.04 0.07 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.16 2qba s VAL 64 N 1.70 2.98 0.06 2.92 1.01 0.43 -2.43 120.40 127.08 2qba s VAL 64 Ca 0.45 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2qba s VAL 64 Cb -0.18 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2qba s VAL 64 CO 0.18 -0.00 -0.07 0.68 0.00 0.00 0.00 175.10 175.89 2qba s VAL 65 N 1.28 0.55 0.00 2.92 -7.23 -1.26 -1.69 120.40 114.98 2qba s VAL 65 Ca -0.03 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2qba s VAL 65 Cb -0.19 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.70 2qba s VAL 65 CO -0.02 -0.62 0.00 -0.67 -0.31 0.00 0.00 175.10 173.48 2qba n ASP 66 N 0.81 0.00 0.00 4.85 -0.08 -1.26 -1.87 116.55 119.00 2qba n ASP 66 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2qba n ASP 66 Cb 0.57 -0.84 0.00 0.00 2.34 0.00 0.00 41.12 43.19 2qba n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qba n GLY 67 N -1.76 1.86 0.00 0.27 0.00 -1.26 -5.08 105.19 99.22 2qba n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qba n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qba n LYS 68 N -0.15 3.54 -3.57 1.61 2.85 -0.78 -5.11 118.16 116.54 2qba n LYS 68 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 2qba n LYS 68 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2qba n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2qba s GLU 69 N 0.72 1.40 0.08 -1.58 1.03 -1.26 -4.07 118.70 115.02 2qba s GLU 69 Ca 0.00 -0.62 0.00 0.00 0.03 0.00 0.00 54.97 54.38 2qba s GLU 69 Cb 0.00 0.58 0.00 0.00 -0.80 0.00 0.00 34.13 33.91 2qba s GLU 69 CO 0.00 -0.63 0.00 0.44 -1.33 0.00 0.00 175.26 173.74 2qba n ILE 70 N -0.40 0.00 -2.48 1.83 -0.00 -1.02 -4.97 119.36 112.33 2qba n ILE 70 Ca -0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.57 2qba n ILE 70 Cb 0.63 -0.45 -0.04 0.00 -0.00 0.00 0.00 39.64 39.78 2qba n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qba n LYS 71 N -2.76 -4.16 -4.31 6.28 5.02 -1.26 -4.92 118.16 112.06 2qba n LYS 71 Ca 0.00 3.18 -0.20 0.00 -2.02 0.00 0.00 58.31 59.27 2qba n LYS 71 Cb 0.00 -4.66 -0.08 0.00 -0.02 0.00 0.00 35.03 30.27 2qba n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qba s VAL 72 N -0.59 0.04 0.40 -0.18 -7.23 0.10 -4.81 120.40 108.14 2qba s VAL 72 Ca -0.27 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 57.96 2qba s VAL 72 Cb 0.02 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2qba s VAL 72 CO 0.72 0.00 0.57 -0.54 -0.31 0.00 0.00 175.10 175.53 2qba s LYS 73 N -3.44 2.94 -0.73 4.82 1.02 0.14 -0.92 119.74 123.57 2qba s LYS 73 Ca 0.39 -1.00 -0.15 0.00 0.02 0.00 0.00 55.97 55.24 2qba s LYS 73 Cb 0.02 -2.73 0.19 0.00 -0.52 0.00 0.00 37.83 34.79 2qba s LYS 73 CO 0.27 -0.19 0.67 0.00 -0.92 0.00 0.00 175.35 175.19 2qba s ALA 74 N -2.35 3.93 0.00 5.17 0.00 -1.26 -1.18 121.76 126.07 2qba s ALA 74 Ca 0.50 -3.05 0.00 0.00 0.00 0.00 0.00 51.96 49.42 2qba s ALA 74 Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2qba s ALA 74 CO 0.33 -2.19 0.32 1.04 0.00 0.00 0.00 175.76 175.27 2qba n GLN 75 N 4.43 0.00 -3.80 0.00 1.13 0.11 -4.95 117.38 114.29 2qba n GLN 75 Ca 0.04 0.04 -0.22 0.00 -1.94 0.00 0.00 57.00 54.92 2qba n GLN 75 Cb 0.44 -0.82 -0.05 0.00 0.11 0.00 0.00 30.24 29.93 2qba n GLN 75 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2qba n ASP 76 N -0.36 2.90 -3.68 1.08 4.64 -1.20 -4.97 116.55 114.95 2qba n ASP 76 Ca 0.00 -2.50 -0.14 0.00 -1.38 0.00 0.00 54.79 50.76 2qba n ASP 76 Cb 0.00 0.25 -0.08 0.00 -1.04 0.00 0.00 41.12 40.25 2qba n ASP 76 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2qba s VAL 77 N -2.25 0.02 -0.51 5.18 0.11 -1.26 -1.83 120.40 119.87 2qba s VAL 77 Ca 0.00 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2qba s VAL 77 Cb 0.00 -0.73 0.14 0.00 -1.53 0.00 0.00 36.38 34.26 2qba s VAL 77 CO 0.00 -0.09 0.28 -1.10 -3.33 0.00 0.00 175.10 170.87 2qba s GLN 78 N -0.59 1.71 0.93 1.54 -0.21 0.05 -4.99 119.66 118.09 2qba s GLN 78 Ca -0.07 -2.44 -0.14 0.00 0.02 0.00 0.00 55.36 52.73 2qba s GLN 78 Cb -0.03 -2.85 0.19 0.00 1.00 0.00 0.00 33.01 31.31 2qba s GLN 78 CO 0.04 -1.16 1.28 -0.98 -2.12 0.00 0.00 175.29 172.34 2qba s ARG 79 N -0.16 0.79 0.39 2.91 1.70 -1.26 -0.22 118.95 123.10 2qba s ARG 79 Ca 0.19 -0.51 -0.24 0.00 -0.47 0.00 0.00 55.73 54.70 2qba s ARG 79 Cb -0.21 -1.92 -0.09 0.00 -0.57 0.00 0.00 34.95 32.15 2qba s ARG 79 CO -0.03 -2.27 1.01 -1.58 -1.08 0.00 0.00 175.30 171.35 2qba s HIS 80 N -3.78 3.34 0.40 5.89 5.65 0.22 -4.71 115.29 122.30 2qba s HIS 80 Ca 0.73 1.66 0.16 0.00 0.25 0.00 0.00 55.06 57.86 2qba s HIS 80 Cb -0.04 -3.05 1.03 0.00 -1.18 0.00 0.00 32.58 29.34 2qba s HIS 80 CO 0.52 -0.41 1.85 -1.35 -0.65 0.00 0.00 174.74 174.70 2qba h PRO 81 N 2.49 0.45 0.00 2.88 0.11 -1.96 -3.35 132.00 132.62 2qba h PRO 81 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qba h PRO 81 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2qba h PRO 81 CO 0.62 0.30 0.00 2.48 -0.21 0.00 0.00 178.00 181.19 2qba n TYR 82 N -4.53 0.00 -4.26 0.65 0.18 -1.26 -5.09 117.16 102.85 2qba n TYR 82 Ca 0.19 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.63 2qba n TYR 82 Cb 0.66 0.02 -0.11 0.00 -0.38 0.00 0.00 39.34 39.53 2qba n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qba s LYS 83 N 0.00 3.76 -1.02 -3.48 1.02 -1.26 -5.01 119.74 113.75 2qba s LYS 83 Ca 0.00 -0.45 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 2qba s LYS 83 Cb 0.00 -3.02 -0.23 0.00 -0.52 0.00 0.00 37.83 34.06 2qba s LYS 83 CO 0.00 0.27 2.06 -2.30 -0.92 0.00 0.00 175.35 174.46 2qba n PRO 84 N 3.47 0.08 -3.61 -1.68 -0.02 -1.26 -3.96 135.00 128.02 2qba n PRO 84 Ca -0.17 -1.62 -0.04 0.00 -2.02 0.00 0.00 63.50 59.65 2qba n PRO 84 Cb 0.52 -3.79 -0.01 0.00 -0.02 0.00 0.00 33.50 30.20 2qba n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qba s LYS 85 N 8.38 0.67 0.59 -0.52 -2.85 -1.26 -5.03 119.74 119.72 2qba s LYS 85 Ca 0.78 -0.32 0.07 0.00 -1.00 0.00 0.00 55.97 55.51 2qba s LYS 85 Cb -0.04 0.27 0.09 0.00 -2.06 0.00 0.00 37.83 36.08 2qba s LYS 85 CO 0.18 -0.30 0.82 -0.51 0.10 0.00 0.00 175.35 175.64 2qba s LEU 86 N -2.62 3.12 0.00 2.77 1.43 -1.26 0.70 118.68 122.82 2qba s LEU 86 Ca 0.10 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2qba s LEU 86 Cb 0.00 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2qba s LEU 86 CO -0.04 -1.40 0.00 0.00 0.23 0.00 0.00 176.35 175.14 2qba n GLN 87 N -2.33 0.00 -3.38 1.70 6.02 0.69 -4.60 117.38 115.48 2qba n GLN 87 Ca 0.15 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.16 2qba n GLN 87 Cb 0.61 -0.40 -0.04 0.00 1.02 0.00 0.00 30.24 31.43 2qba n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qba s HIS 88 N -1.00 -0.52 0.02 1.08 5.04 -1.15 -3.99 115.29 114.78 2qba s HIS 88 Ca 0.00 0.92 0.05 0.00 -1.54 0.00 0.00 55.06 54.49 2qba s HIS 88 Cb 0.00 0.31 -0.03 0.00 0.04 0.00 0.00 32.58 32.90 2qba s HIS 88 CO 0.00 -0.26 -0.13 0.96 -2.34 0.00 0.00 174.74 172.97 2qba s ILE 89 N 2.24 3.17 -0.48 0.89 -5.25 -1.26 -0.77 121.20 119.75 2qba s ILE 89 Ca -0.03 -1.00 -0.17 0.00 -0.99 0.00 0.00 60.65 58.46 2qba s ILE 89 Cb -0.05 -2.36 0.06 0.00 2.95 0.00 0.00 42.46 43.06 2qba s ILE 89 CO -0.17 0.36 0.48 -1.81 -1.79 0.00 0.00 174.94 172.01 2qba s ASP 90 N -1.44 6.18 -0.27 4.36 1.11 -0.76 -3.42 116.67 122.43 2qba s ASP 90 Ca 0.16 -1.10 -0.14 0.00 0.18 0.00 0.00 52.55 51.65 2qba s ASP 90 Cb -0.11 -2.22 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 2qba s ASP 90 CO 0.06 -0.72 0.35 -0.36 1.18 0.00 0.00 175.17 175.69 2qba s PHE 91 N 2.05 3.24 0.00 4.23 2.99 -0.54 0.09 117.98 130.03 2qba s PHE 91 Ca 0.09 0.37 0.08 0.00 0.00 0.00 0.00 56.93 57.47 2qba s PHE 91 Cb -0.22 -2.55 -0.02 0.00 0.00 0.00 0.00 43.02 40.23 2qba s PHE 91 CO 0.09 -0.22 -0.26 0.08 -0.00 0.00 0.00 175.22 174.91 2qba s VAL 92 N 2.04 2.10 0.73 -0.44 1.01 -0.32 -1.96 120.40 123.55 2qba s VAL 92 Ca 0.14 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.93 2qba s VAL 92 Cb -0.16 -1.75 0.14 0.00 0.00 0.00 0.00 36.38 34.61 2qba s VAL 92 CO 0.10 0.51 1.00 -0.13 0.00 0.00 0.00 175.10 176.58 2qba s ARG 93 N -0.83 1.60 0.00 2.72 0.52 -0.85 0.26 118.95 122.37 2qba s ARG 93 Ca 0.11 -1.31 0.25 0.00 -0.52 0.00 0.00 55.73 54.26 2qba s ARG 93 Cb -0.10 -2.36 0.49 0.00 0.52 0.00 0.00 34.95 33.50 2qba s ARG 93 CO 0.00 -1.50 1.43 0.00 0.02 0.00 0.00 175.30 175.25