#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb s VAL 2 N 0.00 3.76 0.21 1.12 0.11 -1.26 -0.37 120.40 123.96 2qbb s VAL 2 Ca 0.00 0.89 0.04 0.00 -2.93 0.00 0.00 61.98 59.98 2qbb s VAL 2 Cb 0.00 -3.66 -0.01 0.00 -1.53 0.00 0.00 36.38 31.18 2qbb s VAL 2 CO 0.00 -0.17 0.13 0.35 -3.33 0.00 0.00 175.10 172.08 2qbb n THR 3 N 5.85 0.00 -3.82 5.04 -2.24 -0.63 -1.21 114.28 117.27 2qbb n THR 3 Ca 0.17 -1.40 -0.28 0.00 -2.27 0.00 0.00 64.05 60.27 2qbb n THR 3 Cb 0.44 0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 2qbb n THR 3 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qbb s ILE 4 N -2.65 0.88 0.27 2.28 1.01 -1.21 -0.98 121.20 120.79 2qbb s ILE 4 Ca 0.19 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2qbb s ILE 4 Cb 0.01 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 2qbb s ILE 4 CO 0.13 -0.07 0.11 -2.11 0.00 0.00 0.00 174.94 173.00 2qbb n ARG 5 N 4.93 0.65 -4.11 2.79 0.00 -1.03 -1.61 116.66 118.28 2qbb n ARG 5 Ca -0.10 -2.28 -0.31 0.00 -0.00 0.00 0.00 57.85 55.15 2qbb n ARG 5 Cb 0.47 1.31 -0.07 0.00 -0.00 0.00 0.00 32.46 34.17 2qbb n ARG 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qbb s LEU 6 N 0.00 3.75 -0.15 2.89 1.02 -1.26 -2.07 118.68 122.86 2qbb s LEU 6 Ca 0.15 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.32 2qbb s LEU 6 Cb 0.01 -2.33 0.02 0.00 0.02 0.00 0.00 46.19 43.91 2qbb s LEU 6 CO 0.11 0.21 -0.13 0.00 0.02 0.00 0.00 176.35 176.57 2qbb s ALA 7 N -1.29 1.78 -0.55 4.21 0.00 -0.85 -4.82 121.76 120.24 2qbb s ALA 7 Ca 0.26 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 2qbb s ALA 7 Cb -0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2qbb s ALA 7 CO 0.18 -0.43 1.96 0.50 0.00 0.00 0.00 175.76 177.96 2qbb s ARG 8 N 1.52 2.61 -0.46 0.00 3.52 -1.26 -0.85 118.95 124.03 2qbb s ARG 8 Ca 0.04 0.87 0.04 0.00 -0.13 0.00 0.00 55.73 56.56 2qbb s ARG 8 Cb -0.13 -4.40 0.42 0.00 -1.56 0.00 0.00 34.95 29.28 2qbb s ARG 8 CO -0.10 -2.73 1.26 0.72 -0.81 0.00 0.00 175.30 173.65 2qbb n HIS 9 N 13.05 3.22 -4.45 5.12 8.25 -1.13 -4.90 115.22 134.37 2qbb n HIS 9 Ca 0.24 -2.83 -0.22 0.00 -0.26 0.00 0.00 57.72 54.65 2qbb n HIS 9 Cb 0.52 -0.31 -0.10 0.00 1.12 0.00 0.00 29.99 31.21 2qbb n HIS 9 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qbb s GLY 10 N -3.21 2.11 0.98 -1.41 0.00 -1.26 -4.58 107.32 99.95 2qbb s GLY 10 Ca 0.50 -1.97 -0.12 0.00 0.00 0.00 0.00 44.72 43.13 2qbb s GLY 10 CO -0.16 -1.81 1.08 0.00 0.00 0.00 0.00 173.10 172.21 2qbb s ALA 11 N -3.31 0.97 0.34 3.20 0.00 -0.31 -4.73 121.76 117.92 2qbb s ALA 11 Ca 0.35 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 2qbb s ALA 11 Cb 0.08 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.91 2qbb s ALA 11 CO 0.15 -2.81 1.40 1.17 0.00 0.00 0.00 175.76 175.67 2qbb n LYS 12 N -4.18 2.36 0.00 0.00 4.81 -1.26 -1.21 118.16 118.67 2qbb n LYS 12 Ca 0.06 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 2qbb n LYS 12 Cb 0.56 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.12 2qbb n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qbb n LYS 13 N 0.87 0.00 -3.79 1.64 5.02 -1.26 -4.81 118.16 115.83 2qbb n LYS 13 Ca 0.05 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.06 2qbb n LYS 13 Cb 0.36 -2.82 -0.12 0.00 -0.02 0.00 0.00 35.03 32.43 2qbb n LYS 13 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qbb s ARG 14 N 0.00 1.97 1.15 1.97 0.52 -0.35 -5.10 118.95 119.12 2qbb s ARG 14 Ca 0.00 -2.86 -0.19 0.00 -0.52 0.00 0.00 55.73 52.16 2qbb s ARG 14 Cb 0.00 -2.91 0.27 0.00 0.52 0.00 0.00 34.95 32.83 2qbb s ARG 14 CO 0.00 -1.27 1.17 -1.25 0.02 0.00 0.00 175.30 173.97 2qbb s PRO 15 N -0.80 -0.84 -0.40 3.54 0.04 -1.23 -1.16 135.00 134.14 2qbb s PRO 15 Ca 0.24 -0.19 0.02 0.00 0.04 0.00 0.00 61.00 61.11 2qbb s PRO 15 Cb -0.08 -1.65 0.27 0.00 0.04 0.00 0.00 34.50 33.07 2qbb s PRO 15 CO -0.13 -3.44 1.11 0.34 0.04 0.00 0.00 177.00 174.93 2qbb n PHE 16 N -4.54 -1.73 -1.70 0.56 -0.00 -1.26 -4.68 117.46 104.11 2qbb n PHE 16 Ca 0.14 -1.19 -0.44 0.00 -0.00 0.00 0.00 57.45 55.97 2qbb n PHE 16 Cb 0.60 1.31 -0.03 0.00 -0.00 0.00 0.00 39.48 41.36 2qbb n PHE 16 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qbb n TYR 17 N 1.42 2.51 -4.05 -5.13 4.02 -1.22 -2.86 117.16 111.86 2qbb n TYR 17 Ca 0.04 0.20 -0.34 0.00 -0.01 0.00 0.00 57.90 57.79 2qbb n TYR 17 Cb 0.68 -2.59 -0.15 0.00 -0.02 0.00 0.00 39.34 37.27 2qbb n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2qbb s GLN 18 N 0.64 3.25 0.35 -0.72 0.74 -0.03 -1.82 119.66 122.06 2qbb s GLN 18 Ca 0.74 -0.70 -0.27 0.00 0.05 0.00 0.00 55.36 55.18 2qbb s GLN 18 Cb -0.59 -2.83 -0.09 0.00 1.10 0.00 0.00 33.01 30.60 2qbb s GLN 18 CO 0.39 -0.17 1.22 0.08 -0.55 0.00 0.00 175.29 176.26 2qbb s VAL 19 N 1.33 2.99 -0.21 1.34 1.01 -0.93 -2.00 120.40 123.93 2qbb s VAL 19 Ca 0.04 0.94 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 2qbb s VAL 19 Cb -0.14 -3.57 0.14 0.00 0.00 0.00 0.00 36.38 32.80 2qbb s VAL 19 CO -0.06 0.17 1.06 0.54 0.00 0.00 0.00 175.10 176.82 2qbb s VAL 20 N -1.24 0.00 -0.32 2.92 0.11 -0.88 -2.61 120.40 118.38 2qbb s VAL 20 Ca 0.51 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.34 2qbb s VAL 20 Cb -0.35 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.50 2qbb s VAL 20 CO 0.46 0.00 0.75 -0.69 -3.33 0.00 0.00 175.10 172.28 2qbb s VAL 21 N -0.69 4.82 0.11 2.04 1.01 0.52 -2.48 120.40 125.73 2qbb s VAL 21 Ca 0.01 1.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.98 2qbb s VAL 21 Cb -0.02 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2qbb s VAL 21 CO -0.02 -0.26 0.13 0.00 0.00 0.00 0.00 175.10 174.95 2qbb s ALA 22 N 2.89 0.24 -0.15 5.51 0.00 -0.15 0.27 121.76 130.38 2qbb s ALA 22 Ca 0.30 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 2qbb s ALA 22 Cb -0.14 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2qbb s ALA 22 CO 0.13 -0.50 1.48 0.34 0.00 0.00 0.00 175.76 177.21 2qbb s ASP 23 N -2.94 6.70 0.21 0.00 -1.08 -1.26 -1.60 116.67 116.69 2qbb s ASP 23 Ca 0.13 1.82 -0.09 0.00 -0.52 0.00 0.00 52.55 53.89 2qbb s ASP 23 Cb 0.06 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.30 2qbb s ASP 23 CO -0.05 -0.96 1.27 -1.54 0.52 0.00 0.00 175.17 174.41 2qbb n SER 24 N 7.29 -0.37 -0.22 -0.34 3.41 0.50 0.31 113.62 124.19 2qbb n SER 24 Ca 0.16 1.41 0.01 0.00 -0.26 0.00 0.00 58.87 60.19 2qbb n SER 24 Cb 0.44 -0.39 0.13 0.00 -0.26 0.00 0.00 64.21 64.14 2qbb n SER 24 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2qbb h ARG 25 N 0.00 0.45 -6.20 4.33 -0.00 -1.91 -3.43 114.38 107.62 2qbb h ARG 25 Ca 0.35 -0.03 -0.65 0.00 -0.50 0.00 0.00 59.98 59.15 2qbb h ARG 25 Cb 0.56 -0.10 0.10 0.00 0.00 0.00 0.00 29.97 30.53 2qbb h ARG 25 CO -0.83 0.29 -0.18 0.09 0.00 0.00 0.00 179.97 179.35 2qbb n ASN 26 N -4.97 -0.01 -4.51 7.04 5.03 0.15 -4.89 115.26 113.10 2qbb n ASN 26 Ca 0.10 1.15 -0.32 0.00 0.87 0.00 0.00 54.58 56.39 2qbb n ASN 26 Cb 0.30 -1.09 0.15 0.00 -1.02 0.00 0.00 39.78 38.13 2qbb n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbb n ALA 27 N 0.35 -2.00 -1.00 5.41 0.00 -1.26 -4.87 120.51 117.14 2qbb n ALA 27 Ca 0.15 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2qbb n ALA 27 Cb 0.26 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2qbb n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbb n ARG 28 N -3.00 0.00 -0.40 0.00 -4.01 -1.26 -1.87 116.66 106.13 2qbb n ARG 28 Ca 0.08 0.20 -0.02 0.00 -1.04 0.00 0.00 57.85 57.07 2qbb n ARG 28 Cb 0.53 -0.72 0.01 0.00 -3.04 0.00 0.00 32.46 29.24 2qbb n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2qbb n ASN 29 N -0.42 4.72 0.00 2.89 3.02 -1.26 -4.82 115.26 119.39 2qbb n ASN 29 Ca 0.00 -2.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 2qbb n ASN 29 Cb 0.00 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 2qbb n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qbb n GLY 30 N 1.06 2.29 3.65 7.41 0.00 -0.78 -5.03 105.19 113.79 2qbb n GLY 30 Ca 0.04 -1.95 -0.51 0.00 0.00 0.00 0.00 46.02 43.60 2qbb n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbb n ARG 31 N 0.00 1.63 -4.32 1.61 0.63 -1.26 -4.94 116.66 110.00 2qbb n ARG 31 Ca 0.00 0.59 -0.18 0.00 -0.92 0.00 0.00 57.85 57.34 2qbb n ARG 31 Cb 0.00 -2.31 -0.14 0.00 0.45 0.00 0.00 32.46 30.45 2qbb n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2qbb s PHE 32 N 1.83 0.85 0.00 -0.14 -0.71 -1.26 -4.45 117.98 114.10 2qbb s PHE 32 Ca 0.87 -0.22 0.00 0.00 -1.04 0.00 0.00 56.93 56.54 2qbb s PHE 32 Cb -0.85 -0.53 0.00 0.00 -1.21 0.00 0.00 43.02 40.43 2qbb s PHE 32 CO 0.49 -0.01 0.99 -0.89 -1.34 0.00 0.00 175.22 174.45 2qbb n ILE 33 N 2.56 0.00 -3.79 -4.49 5.41 0.14 -4.85 119.36 114.35 2qbb n ILE 33 Ca -0.15 1.49 -0.13 0.00 1.00 0.00 0.00 62.75 64.96 2qbb n ILE 33 Cb 0.56 -2.41 -0.12 0.00 -0.71 0.00 0.00 39.64 36.96 2qbb n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2qbb s GLU 34 N -2.94 0.25 -0.11 0.38 -1.05 -0.83 -5.01 118.70 109.39 2qbb s GLU 34 Ca 0.00 0.33 -0.28 0.00 -0.15 0.00 0.00 54.97 54.87 2qbb s GLU 34 Cb 0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.77 2qbb s GLU 34 CO 0.00 -0.05 0.92 0.50 0.95 0.00 0.00 175.26 177.59 2qbb s ARG 35 N 0.24 4.40 -0.31 -4.83 3.00 -1.26 -0.35 118.95 119.84 2qbb s ARG 35 Ca -0.01 1.23 0.01 0.00 -1.00 0.00 0.00 55.73 55.97 2qbb s ARG 35 Cb -0.03 -3.54 0.09 0.00 0.00 0.00 0.00 34.95 31.48 2qbb s ARG 35 CO -0.01 -0.26 0.05 0.54 0.00 0.00 0.00 175.30 175.63 2qbb s VAL 36 N 1.85 1.53 0.47 7.11 0.11 -1.07 -4.92 120.40 125.47 2qbb s VAL 36 Ca 0.45 -1.72 0.00 0.00 -2.93 0.00 0.00 61.98 57.78 2qbb s VAL 36 Cb -0.18 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 2qbb s VAL 36 CO 0.17 -0.53 0.00 0.61 -3.33 0.00 0.00 175.10 172.02 2qbb n GLY 37 N 4.59 -3.24 0.00 6.54 0.00 -1.26 -4.23 105.19 107.59 2qbb n GLY 37 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2qbb n GLY 37 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qbb n PHE 38 N -3.70 0.00 -3.52 1.61 1.16 -1.26 -2.19 117.46 109.56 2qbb n PHE 38 Ca -0.07 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.37 2qbb n PHE 38 Cb 0.51 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.33 2qbb n PHE 38 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 2qbb s PHE 39 N -0.97 -0.52 -0.07 2.97 5.36 -0.75 -1.54 117.98 122.46 2qbb s PHE 39 Ca 0.00 0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 56.68 2qbb s PHE 39 Cb 0.00 0.47 0.03 0.00 -0.34 0.00 0.00 43.02 43.18 2qbb s PHE 39 CO 0.00 -0.57 0.04 1.21 -1.46 0.00 0.00 175.22 174.44 2qbb s ASN 40 N -1.63 1.48 0.33 6.13 3.84 -0.16 -3.37 114.94 121.56 2qbb s ASN 40 Ca -0.04 -0.08 0.19 0.00 0.21 0.00 0.00 52.86 53.14 2qbb s ASN 40 Cb -0.00 -0.27 0.16 0.00 -0.55 0.00 0.00 41.25 40.59 2qbb s ASN 40 CO 0.01 -0.24 1.46 1.55 -2.79 0.00 0.00 177.10 177.09 2qbb h PRO 41 N 8.39 0.00 0.00 0.43 0.13 -1.85 -3.42 132.00 135.69 2qbb h PRO 41 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2qbb h PRO 41 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2qbb h PRO 41 CO 0.21 0.26 0.00 -0.89 -0.23 0.00 0.00 178.00 177.35 2qbb n ILE 42 N -3.13 0.00 -4.97 -3.56 2.08 -1.26 -5.08 119.36 103.44 2qbb n ILE 42 Ca 0.02 0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.53 2qbb n ILE 42 Cb 0.65 -1.13 0.00 0.00 -0.75 0.00 0.00 39.64 38.41 2qbb n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qbb n ALA 43 N -1.80 0.00 -2.53 -1.39 0.00 -1.26 -4.79 120.51 108.74 2qbb n ALA 43 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbb n ALA 43 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2qbb n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qbb n SER 44 N -3.01 -0.20 -3.36 0.00 3.41 -1.26 -4.90 113.62 104.30 2qbb n SER 44 Ca 0.00 -1.14 -0.24 0.00 -0.26 0.00 0.00 58.87 57.24 2qbb n SER 44 Cb 0.00 0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2qbb n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qbb n GLU 45 N -0.15 -3.54 -0.33 4.33 0.00 -1.26 -4.72 120.64 114.96 2qbb n GLU 45 Ca -0.04 0.51 -0.04 0.00 0.00 0.00 0.00 57.16 57.59 2qbb n GLU 45 Cb 0.54 -5.23 -0.05 0.00 0.00 0.00 0.00 31.44 26.70 2qbb n GLU 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2qbb n LYS 46 N -3.78 0.67 0.00 5.31 2.85 -1.26 -4.53 118.16 117.41 2qbb n LYS 46 Ca -0.02 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 2qbb n LYS 46 Cb 0.55 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 2qbb n LYS 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2qbb n GLU 47 N 2.61 0.00 -4.28 -1.58 -0.58 -1.26 -4.78 120.64 110.77 2qbb n GLU 47 Ca 0.13 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.67 2qbb n GLU 47 Cb 0.31 -2.03 -0.08 0.00 -0.57 0.00 0.00 31.44 29.08 2qbb n GLU 47 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2qbb s GLU 48 N 0.00 1.80 0.00 3.49 2.56 -1.26 -5.06 118.70 120.22 2qbb s GLU 48 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 54.97 52.94 2qbb s GLU 48 Cb 0.00 0.33 0.00 0.00 2.00 0.00 0.00 34.13 36.46 2qbb s GLU 48 CO 0.00 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 174.44 2qbb n GLY 49 N -0.64 0.00 3.49 -1.50 0.00 -1.26 -4.58 105.19 100.70 2qbb n GLY 49 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2qbb n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbb s THR 50 N 0.00 0.01 0.22 2.61 2.01 -1.26 -0.99 115.64 118.24 2qbb s THR 50 Ca 0.00 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 2qbb s THR 50 Cb 0.00 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.26 2qbb s THR 50 CO 0.00 -0.06 0.33 -1.14 -0.69 0.00 0.00 174.62 173.06 2qbb n ARG 51 N -0.37 0.47 0.00 4.92 3.00 -0.59 -4.94 116.66 119.16 2qbb n ARG 51 Ca -0.14 -1.65 0.00 0.00 -0.00 0.00 0.00 57.85 56.07 2qbb n ARG 51 Cb 0.64 1.65 0.00 0.00 0.00 0.00 0.00 32.46 34.75 2qbb n ARG 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2qbb n LEU 52 N 0.00 0.00 -3.62 6.15 7.94 -1.26 -4.40 117.00 121.80 2qbb n LEU 52 Ca -0.01 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 2qbb n LEU 52 Cb 0.36 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.37 2qbb n LEU 52 CO 0.18 0.00 0.07 -0.67 -1.11 0.00 0.00 177.39 175.86 2qbb n ASP 53 N -0.71 -2.85 -0.20 1.96 2.03 -1.26 -4.17 116.55 111.34 2qbb n ASP 53 Ca 0.00 -0.70 0.03 0.00 0.52 0.00 0.00 54.79 54.64 2qbb n ASP 53 Cb 0.00 -4.55 0.08 0.00 -0.72 0.00 0.00 41.12 35.92 2qbb n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2qbb n LEU 54 N -4.41 -0.20 -0.33 -2.67 4.77 -1.26 -0.76 117.00 112.13 2qbb n LEU 54 Ca -0.20 0.96 -0.05 0.00 -0.03 0.00 0.00 56.01 56.70 2qbb n LEU 54 Cb 0.63 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2qbb n LEU 54 CO 0.66 -0.92 0.57 -0.78 -1.33 0.00 0.00 177.39 175.60 2qbb h ASP 55 N 0.00 -1.53 -0.35 -1.43 3.58 -2.01 0.18 116.42 114.85 2qbb h ASP 55 Ca 0.27 0.29 -0.15 0.00 0.42 0.00 0.00 57.03 57.86 2qbb h ASP 55 Cb 0.41 0.75 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2qbb h ASP 55 CO -0.57 -0.29 -0.33 0.03 -2.88 0.00 0.00 179.24 175.19 2qbb h ARG 56 N -0.06 0.89 -0.35 0.28 2.47 -1.28 -3.17 114.38 113.16 2qbb h ARG 56 Ca 0.27 -0.44 0.08 0.00 -1.26 0.00 0.00 59.98 58.63 2qbb h ARG 56 Cb 0.56 -0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.79 2qbb h ARG 56 CO -0.89 1.09 -0.19 0.82 0.56 0.00 0.00 179.97 181.36 2qbb h ILE 57 N 0.74 0.44 -0.41 2.04 1.08 -0.48 -2.10 117.51 118.82 2qbb h ILE 57 Ca 0.07 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.62 2qbb h ILE 57 Cb 0.91 0.44 -0.07 0.00 -3.07 0.00 0.00 36.82 35.03 2qbb h ILE 57 CO 0.08 0.00 -0.03 0.00 -0.69 0.00 0.00 178.15 177.51 2qbb h ALA 58 N 1.09 0.35 -0.43 1.87 0.00 -0.87 -2.16 119.26 119.11 2qbb h ALA 58 Ca 0.18 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.27 2qbb h ALA 58 Cb 0.41 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2qbb h ALA 58 CO -0.44 -0.41 -0.51 1.25 0.00 0.00 0.00 179.25 179.14 2qbb h HIS 59 N 0.07 -1.56 -0.22 0.00 -0.00 -1.36 -0.46 115.15 111.63 2qbb h HIS 59 Ca 0.20 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 2qbb h HIS 59 Cb 0.30 0.73 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 2qbb h HIS 59 CO -0.30 -0.43 0.14 -1.49 -0.00 0.00 0.00 177.93 175.85 2qbb h TRP 60 N -0.32 0.28 -0.67 5.26 4.06 -1.42 -2.81 115.95 120.33 2qbb h TRP 60 Ca 0.07 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.14 2qbb h TRP 60 Cb 0.52 -0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 28.50 2qbb h TRP 60 CO -0.75 0.19 0.26 0.28 -3.56 0.00 0.00 178.44 174.85 2qbb h VAL 61 N 0.29 0.72 0.00 1.49 2.07 -0.90 0.29 116.25 120.20 2qbb h VAL 61 Ca 0.08 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2qbb h VAL 61 Cb -0.02 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2qbb h VAL 61 CO -0.02 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.26 2qbb n GLY 62 N -1.31 -1.14 0.96 2.17 0.00 -0.23 -1.97 105.19 103.67 2qbb n GLY 62 Ca 0.11 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2qbb n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qbb n GLN 63 N -1.89 2.31 0.00 1.61 6.02 0.87 -4.91 117.38 121.39 2qbb n GLN 63 Ca 0.03 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.09 2qbb n GLN 63 Cb 0.20 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2qbb n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbb n GLY 64 N 1.37 1.02 3.77 1.08 0.00 -0.83 -5.07 105.19 106.53 2qbb n GLY 64 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qbb n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbb s ALA 65 N -1.99 3.59 -0.75 4.61 0.00 -0.41 -4.73 121.76 122.09 2qbb s ALA 65 Ca 0.00 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 2qbb s ALA 65 Cb 0.00 -3.59 0.19 0.00 0.00 0.00 0.00 23.12 19.72 2qbb s ALA 65 CO 0.00 -0.94 0.59 0.99 0.00 0.00 0.00 175.76 176.41 2qbb s THR 66 N -0.86 4.00 0.09 0.00 2.01 -0.35 -4.57 115.64 115.97 2qbb s THR 66 Ca 0.54 -3.39 -0.36 0.00 0.31 0.00 0.00 61.69 58.80 2qbb s THR 66 Cb -0.45 -3.55 -0.15 0.00 0.01 0.00 0.00 72.50 68.36 2qbb s THR 66 CO 0.57 -0.98 1.46 0.00 -0.69 0.00 0.00 174.62 174.98 2qbb n ILE 67 N 2.95 0.03 -0.62 1.82 0.13 -1.26 -3.36 119.36 119.04 2qbb n ILE 67 Ca 0.14 -0.01 -0.17 0.00 -1.10 0.00 0.00 62.75 61.62 2qbb n ILE 67 Cb 0.38 -1.13 0.15 0.00 -0.84 0.00 0.00 39.64 38.20 2qbb n ILE 67 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 2qbb n SER 68 N 3.07 -2.06 0.01 9.51 3.41 -0.63 -4.82 113.62 122.11 2qbb n SER 68 Ca 0.18 -0.77 -0.01 0.00 -0.26 0.00 0.00 58.87 58.01 2qbb n SER 68 Cb 0.23 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.61 2qbb n SER 68 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qbb h ASP 69 N -2.24 -0.06 -0.82 4.04 3.32 -1.92 -2.81 116.42 115.93 2qbb h ASP 69 Ca -0.23 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.00 2qbb h ASP 69 Cb 0.72 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.17 2qbb h ASP 69 CO 0.15 0.14 0.31 -0.09 -1.72 0.00 0.00 179.24 178.03 2qbb h ARG 70 N -0.44 0.37 -0.32 3.56 9.65 -1.96 -1.18 114.38 124.06 2qbb h ARG 70 Ca -0.01 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 2qbb h ARG 70 Cb 0.05 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2qbb h ARG 70 CO 0.01 0.25 -0.01 -0.24 2.80 0.00 0.00 179.97 182.78 2qbb h VAL 71 N 0.39 1.26 -0.93 0.20 3.04 -1.88 -2.96 116.25 115.36 2qbb h VAL 71 Ca 0.48 -0.97 0.09 0.00 -1.01 0.00 0.00 66.70 65.28 2qbb h VAL 71 Cb 0.83 1.25 -0.07 0.00 -2.01 0.00 0.00 31.29 31.29 2qbb h VAL 71 CO -0.49 0.32 0.58 0.00 -1.01 0.00 0.00 177.57 176.97 2qbb h ALA 72 N 0.84 1.33 -0.89 3.17 0.00 -0.98 -0.94 119.26 121.80 2qbb h ALA 72 Ca 0.09 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2qbb h ALA 72 Cb 0.45 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2qbb h ALA 72 CO 0.02 0.27 0.53 0.00 0.00 0.00 0.00 179.25 180.06 2qbb h ALA 73 N 1.47 1.28 -0.43 0.00 0.00 -1.14 -1.72 119.26 118.72 2qbb h ALA 73 Ca 0.43 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.40 2qbb h ALA 73 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2qbb h ALA 73 CO -0.22 0.16 0.23 -0.07 0.00 0.00 0.00 179.25 179.35 2qbb h LEU 74 N 0.87 0.34 -0.89 0.00 3.38 -1.10 -0.95 115.31 116.96 2qbb h LEU 74 Ca 0.43 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.55 2qbb h LEU 74 Cb 0.38 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 2qbb h LEU 74 CO -0.25 0.24 0.50 0.40 0.09 0.00 0.00 178.44 179.43 2qbb h ILE 75 N 0.46 0.79 -0.11 1.22 2.04 -1.14 -1.81 117.51 118.96 2qbb h ILE 75 Ca 0.18 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 2qbb h ILE 75 Cb 0.07 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2qbb h ILE 75 CO -0.12 0.13 -0.34 0.11 0.00 0.00 0.00 178.15 177.94 2qbb h LYS 76 N 0.74 0.43 -0.66 2.37 1.79 -1.20 -3.27 116.57 116.76 2qbb h LYS 76 Ca 0.47 -0.31 0.10 0.00 -2.18 0.00 0.00 60.65 58.74 2qbb h LYS 76 Cb 0.61 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.23 2qbb h LYS 76 CO -0.33 0.93 0.27 0.93 -1.08 0.00 0.00 179.45 180.18 2qbb h GLU 77 N 0.01 0.45 -6.26 3.15 5.08 -0.55 -3.39 114.58 113.07 2qbb h GLU 77 Ca -0.01 -0.03 -0.55 0.00 -1.00 0.00 0.00 59.36 57.77 2qbb h GLU 77 Cb 0.96 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2qbb h GLU 77 CO 0.07 0.30 0.09 0.54 -1.00 0.00 0.00 179.01 179.01 2qbb s VAL 78 N -6.07 4.72 1.19 3.13 0.11 -0.74 -5.05 120.40 117.69 2qbb s VAL 78 Ca -0.13 1.48 -0.13 0.00 -2.93 0.00 0.00 61.98 60.27 2qbb s VAL 78 Cb 0.18 -4.04 0.30 0.00 -1.53 0.00 0.00 36.38 31.29 2qbb s VAL 78 CO 0.75 0.43 1.02 0.20 -3.33 0.00 0.00 175.10 174.17 2qbb s ASN 79 N -0.41 0.80 0.00 3.54 0.01 -1.26 -4.83 114.94 112.78 2qbb s ASN 79 Ca 0.35 1.45 0.00 0.00 -0.71 0.00 0.00 52.86 53.94 2qbb s ASN 79 Cb -0.20 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.21 2qbb s ASN 79 CO 0.21 -4.30 0.33 0.29 -1.51 0.00 0.00 177.10 172.11