#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc n PHE 2 N 0.00 -3.00 -2.68 1.12 3.72 -1.26 -3.37 117.46 111.98 2qbc n PHE 2 Ca 0.00 1.17 -0.43 0.00 -0.05 0.00 0.00 57.45 58.14 2qbc n PHE 2 Cb 0.00 -3.87 -0.03 0.00 -0.94 0.00 0.00 39.48 34.65 2qbc n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qbc s THR 3 N -2.84 4.39 -0.63 4.37 -4.23 -1.25 -0.28 115.64 115.17 2qbc s THR 3 Ca 0.08 1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 61.76 2qbc s THR 3 Cb -0.02 -4.48 0.16 0.00 1.34 0.00 0.00 72.50 69.50 2qbc s THR 3 CO 0.78 -0.76 0.54 -0.63 -0.54 0.00 0.00 174.62 174.00 2qbc s ILE 4 N 3.97 4.81 0.34 2.99 1.01 0.30 -4.90 121.20 129.72 2qbc s ILE 4 Ca 0.44 -2.16 -0.26 0.00 0.00 0.00 0.00 60.65 58.67 2qbc s ILE 4 Cb -0.10 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 2qbc s ILE 4 CO 0.24 -0.90 0.95 0.54 0.00 0.00 0.00 174.94 175.78 2qbc s ASN 5 N 2.35 7.27 0.00 3.58 4.22 -1.25 0.15 114.94 131.26 2qbc s ASN 5 Ca 0.11 1.84 0.00 0.00 -2.14 0.00 0.00 52.86 52.67 2qbc s ASN 5 Cb -0.21 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.75 2qbc s ASN 5 CO -0.03 -0.12 0.00 0.00 -2.04 0.00 0.00 177.10 174.91 2qbc n ALA 6 N 0.42 0.00 -3.61 3.54 0.00 -0.71 -4.36 120.51 115.80 2qbc n ALA 6 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2qbc n ALA 6 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 2qbc n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2qbc s GLU 7 N 3.63 0.30 0.35 0.00 -1.05 -1.26 -4.34 118.70 116.33 2qbc s GLU 7 Ca 0.00 -0.15 -0.27 0.00 -0.15 0.00 0.00 54.97 54.39 2qbc s GLU 7 Cb 0.00 0.11 -0.09 0.00 -0.44 0.00 0.00 34.13 33.71 2qbc s GLU 7 CO 0.00 -0.14 1.21 0.08 0.95 0.00 0.00 175.26 177.37 2qbc s VAL 8 N -2.35 3.03 0.09 1.83 1.01 -1.26 -0.54 120.40 122.21 2qbc s VAL 8 Ca 0.13 0.97 -0.31 0.00 0.00 0.00 0.00 61.98 62.77 2qbc s VAL 8 Cb 0.03 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 2qbc s VAL 8 CO -0.04 0.18 1.37 -0.13 0.00 0.00 0.00 175.10 176.48 2qbc s ARG 9 N -1.91 4.33 0.08 2.72 1.81 0.22 -4.74 118.95 121.45 2qbc s ARG 9 Ca 0.51 2.01 -0.16 0.00 -1.72 0.00 0.00 55.73 56.38 2qbc s ARG 9 Cb -0.35 -3.33 -0.11 0.00 -0.45 0.00 0.00 34.95 30.71 2qbc s ARG 9 CO 0.45 -0.44 1.37 -0.22 -0.68 0.00 0.00 175.30 175.78 2qbc h LYS 10 N 7.01 0.63 0.00 3.54 3.64 -1.93 -3.48 116.57 125.98 2qbc h LYS 10 Ca -0.41 -0.37 -0.09 0.00 -1.27 0.00 0.00 60.65 58.50 2qbc h LYS 10 Cb 1.20 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2qbc h LYS 10 CO 0.86 0.98 -0.09 0.39 -2.27 0.00 0.00 179.45 179.33 2qbc n GLU 11 N -4.28 0.17 -3.96 1.90 1.02 -1.26 -5.19 120.64 109.05 2qbc n GLU 11 Ca -0.05 -0.65 -0.11 0.00 -0.02 0.00 0.00 57.16 56.33 2qbc n GLU 11 Cb 0.50 0.51 -0.02 0.00 -0.02 0.00 0.00 31.44 32.41 2qbc n GLU 11 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2qbc s GLN 12 N -2.27 1.99 0.00 3.49 1.03 -1.26 -4.84 119.66 117.80 2qbc s GLN 12 Ca 0.07 -1.53 0.00 0.00 0.04 0.00 0.00 55.36 53.94 2qbc s GLN 12 Cb 0.00 0.53 0.00 0.00 0.03 0.00 0.00 33.01 33.57 2qbc s GLN 12 CO 0.05 -0.87 0.00 0.41 -2.54 0.00 0.00 175.29 172.34 2qbc n GLY 13 N -0.52 0.91 0.30 2.60 0.00 -1.26 -4.20 105.19 103.02 2qbc n GLY 13 Ca -0.03 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.30 2qbc n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbc h LYS 14 N 0.00 0.17 0.00 1.61 3.64 -2.01 -1.78 116.57 118.19 2qbc h LYS 14 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qbc h LYS 14 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2qbc h LYS 14 CO 0.00 0.11 0.00 0.41 -2.27 0.00 0.00 179.45 177.70 2qbc n GLY 15 N -1.40 -3.00 0.45 5.01 0.00 -1.26 -1.23 105.19 103.77 2qbc n GLY 15 Ca 0.19 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 2qbc n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc h ALA 16 N -1.90 -0.79 -0.68 4.61 0.00 -1.70 -1.95 119.26 116.85 2qbc h ALA 16 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2qbc h ALA 16 Cb 0.00 1.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 2qbc h ALA 16 CO 0.00 -1.05 -0.19 0.77 0.00 0.00 0.00 179.25 178.78 2qbc h SER 17 N -0.48 -0.69 -0.31 0.00 0.02 -1.41 0.30 113.55 110.98 2qbc h SER 17 Ca 0.06 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2qbc h SER 17 Cb 0.63 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2qbc h SER 17 CO -0.52 -0.24 0.20 -0.09 -1.14 0.00 0.00 176.83 175.05 2qbc h ARG 18 N -0.02 0.42 -0.40 3.45 9.65 -0.58 -1.85 114.38 125.05 2qbc h ARG 18 Ca 0.32 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 59.04 2qbc h ARG 18 Cb 0.51 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2qbc h ARG 18 CO -0.71 0.28 -0.30 0.00 2.80 0.00 0.00 179.97 182.04 2qbc h ARG 19 N 0.43 0.88 -0.30 0.20 3.08 0.27 -3.24 114.38 115.69 2qbc h ARG 19 Ca 0.11 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 2qbc h ARG 19 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2qbc h ARG 19 CO -0.02 1.05 0.17 -0.07 -1.07 0.00 0.00 179.97 180.03 2qbc h LEU 20 N 0.74 0.37 -2.17 3.04 3.38 -0.39 -2.31 115.31 117.97 2qbc h LEU 20 Ca 0.08 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2qbc h LEU 20 Cb 0.86 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2qbc h LEU 20 CO 0.08 0.33 0.18 0.03 0.09 0.00 0.00 178.44 179.15 2qbc h ARG 21 N 0.38 0.00 0.00 1.13 3.08 -1.41 0.40 114.38 117.96 2qbc h ARG 21 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2qbc h ARG 21 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2qbc h ARG 21 CO -0.02 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.79 2qbc h ALA 22 N 1.83 1.22 -0.53 0.04 0.00 -1.44 -1.82 119.26 118.55 2qbc h ALA 22 Ca 0.09 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 2qbc h ALA 22 Cb 0.44 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.02 2qbc h ALA 22 CO -0.00 0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.29 2qbc n ALA 23 N -2.24 4.78 0.00 0.00 0.00 0.14 -4.98 120.51 118.21 2qbc n ALA 23 Ca -0.02 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.12 2qbc n ALA 23 Cb 0.23 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2qbc n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbc n ASN 24 N -1.03 0.00 -4.43 0.00 4.13 -0.69 -4.88 115.26 108.37 2qbc n ASN 24 Ca 0.40 0.00 -0.48 0.00 1.68 0.00 0.00 54.58 56.18 2qbc n ASN 24 Cb 1.01 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 39.15 2qbc n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qbc n LYS 25 N 0.00 0.49 -3.98 3.52 5.02 -1.22 -3.71 118.16 118.28 2qbc n LYS 25 Ca 0.00 0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 2qbc n LYS 25 Cb 0.00 -2.09 -0.08 0.00 -0.02 0.00 0.00 35.03 32.85 2qbc n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qbc s PHE 26 N 8.24 3.40 1.15 2.13 -0.12 -0.85 -3.01 117.98 128.91 2qbc s PHE 26 Ca 1.18 0.32 -0.15 0.00 -0.05 0.00 0.00 56.93 58.23 2qbc s PHE 26 Cb -1.03 -1.98 0.26 0.00 -0.63 0.00 0.00 43.02 39.64 2qbc s PHE 26 CO 0.50 0.47 1.05 -1.25 -0.05 0.00 0.00 175.22 175.94 2qbc s PRO 27 N -0.42 -0.80 0.00 1.99 0.04 -1.25 -3.36 135.00 131.19 2qbc s PRO 27 Ca 0.10 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2qbc s PRO 27 Cb -0.12 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2qbc s PRO 27 CO 0.02 -3.55 0.00 0.00 0.04 0.00 0.00 177.00 173.51 2qbc n ALA 28 N -4.73 0.00 -2.89 8.56 0.00 -1.04 -3.98 120.51 116.43 2qbc n ALA 28 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 2qbc n ALA 28 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 2qbc n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qbc s ILE 29 N -2.08 0.06 -0.11 0.00 -5.25 -1.22 -3.19 121.20 109.40 2qbc s ILE 29 Ca 0.00 -1.14 -0.03 0.00 -0.99 0.00 0.00 60.65 58.49 2qbc s ILE 29 Cb 0.00 -1.68 0.04 0.00 2.95 0.00 0.00 42.46 43.78 2qbc s ILE 29 CO 0.00 -0.28 0.05 -0.63 -1.79 0.00 0.00 174.94 172.29 2qbc s ILE 30 N -3.92 0.13 0.13 8.37 1.01 -0.72 -1.46 121.20 124.74 2qbc s ILE 30 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 2qbc s ILE 30 Cb 0.02 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 2qbc s ILE 30 CO -0.03 -0.00 0.20 -0.72 0.00 0.00 0.00 174.94 174.39 2qbc s TYR 31 N 2.05 0.40 0.00 3.97 -0.85 -0.84 -0.85 117.35 121.23 2qbc s TYR 31 Ca 0.03 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.78 2qbc s TYR 31 Cb -0.14 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.05 2qbc s TYR 31 CO -0.06 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.77 2qbc n GLY 32 N -0.13 0.70 0.00 5.49 0.00 -1.26 -2.04 105.19 107.95 2qbc n GLY 32 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2qbc n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLY 33 N 0.00 -0.45 0.12 -0.02 0.00 -1.26 -3.92 105.19 99.66 2qbc n GLY 33 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 2qbc n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbc n LYS 34 N 0.00 0.58 -2.20 1.61 5.02 -1.26 -4.98 118.16 116.92 2qbc n LYS 34 Ca 0.00 0.14 -0.35 0.00 -2.02 0.00 0.00 58.31 56.07 2qbc n LYS 34 Cb 0.00 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.56 2qbc n LYS 34 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2qbc s GLU 35 N -2.46 3.32 0.65 1.97 -1.05 -1.26 -5.02 118.70 114.85 2qbc s GLU 35 Ca -0.31 1.68 -0.13 0.00 -0.15 0.00 0.00 54.97 56.06 2qbc s GLU 35 Cb 0.08 -2.03 -0.01 0.00 -0.44 0.00 0.00 34.13 31.72 2qbc s GLU 35 CO 0.53 -0.89 1.05 0.00 0.95 0.00 0.00 175.26 176.90 2qbc s ALA 36 N -1.70 2.77 -0.61 -0.84 0.00 -1.26 -4.62 121.76 115.49 2qbc s ALA 36 Ca 0.73 0.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 2qbc s ALA 36 Cb -0.26 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 2qbc s ALA 36 CO 0.29 -0.99 2.43 -2.30 0.00 0.00 0.00 175.76 175.19 2qbc n PRO 37 N -2.69 0.67 -2.32 0.00 -0.02 -1.25 -4.85 135.00 124.53 2qbc n PRO 37 Ca 0.08 0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 61.22 2qbc n PRO 37 Cb 0.53 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 2qbc n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qbc s LEU 38 N 9.39 4.23 -0.51 2.45 2.96 -0.03 -4.76 118.68 132.41 2qbc s LEU 38 Ca 1.15 1.86 -0.24 0.00 -0.22 0.00 0.00 54.13 56.68 2qbc s LEU 38 Cb -0.80 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 42.39 2qbc s LEU 38 CO 0.42 -0.78 0.90 0.00 -1.32 0.00 0.00 176.35 175.57 2qbc s ALA 39 N 3.40 3.21 0.48 5.97 0.00 -1.26 -1.76 121.76 131.80 2qbc s ALA 39 Ca 0.60 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2qbc s ALA 39 Cb -0.25 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 2qbc s ALA 39 CO 0.19 -2.21 0.26 0.96 0.00 0.00 0.00 175.76 174.96 2qbc s ILE 40 N 3.73 1.90 -0.43 0.00 -0.00 -1.19 0.69 121.20 125.90 2qbc s ILE 40 Ca 0.31 -1.63 0.07 0.00 -0.00 0.00 0.00 60.65 59.40 2qbc s ILE 40 Cb -0.12 -2.53 0.25 0.00 -0.00 0.00 0.00 42.46 40.05 2qbc s ILE 40 CO 0.21 0.00 0.67 -1.84 -0.00 0.00 0.00 174.94 173.99 2qbc n GLU 41 N -1.48 0.74 -0.94 0.37 0.28 0.30 -2.50 120.64 117.40 2qbc n GLU 41 Ca -0.04 -2.60 -0.31 0.00 -0.16 0.00 0.00 57.16 54.06 2qbc n GLU 41 Cb 0.65 -1.32 0.14 0.00 1.43 0.00 0.00 31.44 32.33 2qbc n GLU 41 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2qbc s LEU 42 N -0.97 2.85 0.54 -1.84 2.34 -1.21 -4.38 118.68 116.00 2qbc s LEU 42 Ca 0.34 1.99 -0.17 0.00 0.06 0.00 0.00 54.13 56.35 2qbc s LEU 42 Cb 0.19 -4.49 -0.06 0.00 -0.56 0.00 0.00 46.19 41.27 2qbc s LEU 42 CO -0.17 -2.68 1.03 -0.62 -1.06 0.00 0.00 176.35 172.85 2qbc s ASP 43 N -3.00 6.20 -0.01 1.48 -1.08 -1.26 -2.01 116.67 116.98 2qbc s ASP 43 Ca 0.64 1.78 -0.00 0.00 -0.52 0.00 0.00 52.55 54.45 2qbc s ASP 43 Cb -0.20 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.72 2qbc s ASP 43 CO 0.57 -0.88 -0.01 -0.74 0.52 0.00 0.00 175.17 174.64 2qbc h HIS 44 N 0.92 0.00 -0.63 -5.34 -0.00 -1.92 -3.19 115.15 105.00 2qbc h HIS 44 Ca -0.48 0.00 0.26 0.00 -0.00 0.00 0.00 60.37 60.15 2qbc h HIS 44 Cb 1.21 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.51 2qbc h HIS 44 CO 0.60 0.00 0.31 -0.25 -0.00 0.00 0.00 177.93 178.58 2qbc n ASP 45 N -2.37 0.19 0.00 3.26 8.00 -1.26 0.58 116.55 124.95 2qbc n ASP 45 Ca -0.00 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.55 2qbc n ASP 45 Cb 0.01 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 2qbc n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qbc n LYS 46 N -4.46 0.00 -0.26 -1.24 4.01 -1.26 -3.91 118.16 111.04 2qbc n LYS 46 Ca 0.23 0.47 0.27 0.00 -0.51 0.00 0.00 58.31 58.77 2qbc n LYS 46 Cb 0.78 -1.06 0.64 0.00 -0.51 0.00 0.00 35.03 34.88 2qbc n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qbc h VAL 47 N 0.00 0.53 -0.27 -0.18 2.07 -1.28 0.18 116.25 117.30 2qbc h VAL 47 Ca 0.00 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2qbc h VAL 47 Cb 0.00 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2qbc h VAL 47 CO 0.00 0.03 0.21 -0.03 0.02 0.00 0.00 177.57 177.80 2qbc h MET 48 N 0.17 0.00 0.09 1.57 -1.53 0.00 -2.23 114.93 113.00 2qbc h MET 48 Ca 0.51 0.00 -0.36 0.00 -3.44 0.00 0.00 59.70 56.40 2qbc h MET 48 Cb 1.69 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.71 2qbc h MET 48 CO -0.11 0.00 -2.07 0.09 0.14 0.00 0.00 176.91 174.96 2qbc n ASN 49 N -4.30 1.98 -0.26 1.39 3.02 0.61 -4.04 115.26 113.67 2qbc n ASN 49 Ca 0.04 0.16 0.08 0.00 -0.03 0.00 0.00 54.58 54.83 2qbc n ASN 49 Cb 0.37 -0.70 0.33 0.00 -0.61 0.00 0.00 39.78 39.18 2qbc n ASN 49 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2qbc h MET 50 N 0.05 0.78 0.00 3.52 2.86 -1.17 0.91 114.93 121.88 2qbc h MET 50 Ca -0.44 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.11 2qbc h MET 50 Cb 2.01 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.49 2qbc h MET 50 CO 0.06 0.51 -0.16 -0.56 1.06 0.00 0.00 176.91 177.82 2qbc h GLN 51 N 0.80 0.00 -0.94 1.72 -0.00 -1.59 -3.03 115.11 112.07 2qbc h GLN 51 Ca 0.40 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 59.12 2qbc h GLN 51 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 27.87 2qbc h GLN 51 CO -0.17 0.16 0.60 0.00 -0.00 0.00 0.00 178.83 179.42 2qbc h ALA 52 N 1.84 1.31 -2.01 0.06 0.00 -0.95 -3.39 119.26 116.12 2qbc h ALA 52 Ca -0.00 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 2qbc h ALA 52 Cb 0.59 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2qbc h ALA 52 CO 0.02 0.36 0.84 0.21 0.00 0.00 0.00 179.25 180.68 2qbc s LYS 53 N -6.04 4.14 0.56 0.00 2.36 -1.14 -4.90 119.74 114.71 2qbc s LYS 53 Ca -0.12 1.23 0.41 0.00 -2.55 0.00 0.00 55.97 54.93 2qbc s LYS 53 Cb 0.20 -3.71 1.59 0.00 -1.05 0.00 0.00 37.83 34.85 2qbc s LYS 53 CO 0.80 -0.80 1.69 0.00 1.55 0.00 0.00 175.35 178.60 2qbc h ALA 54 N 7.92 3.37 -0.07 3.13 0.00 -1.87 0.38 119.26 132.12 2qbc h ALA 54 Ca -0.21 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2qbc h ALA 54 Cb 1.06 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qbc h ALA 54 CO 1.01 -1.83 0.15 0.93 0.00 0.00 0.00 179.25 179.51 2qbc h GLU 55 N 0.00 0.00 0.00 0.00 3.07 -1.90 0.15 114.58 115.90 2qbc h GLU 55 Ca 0.69 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 2qbc h GLU 55 Cb 2.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.75 2qbc h GLU 55 CO -0.01 0.00 0.00 0.35 -1.40 0.00 0.00 179.01 177.95 2qbc h PHE 56 N 0.00 0.00 -0.27 4.33 3.57 -0.45 -1.50 116.94 122.62 2qbc h PHE 56 Ca 0.03 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2qbc h PHE 56 Cb 0.33 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 2qbc h PHE 56 CO 0.00 0.00 -0.11 0.66 -2.23 0.00 0.00 178.31 176.63 2qbc n TYR 57 N -3.04 0.84 0.00 0.41 4.02 0.04 -4.59 117.16 114.84 2qbc n TYR 57 Ca -0.01 -1.43 0.00 0.00 -0.01 0.00 0.00 57.90 56.45 2qbc n TYR 57 Cb 0.18 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 2qbc n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qbc n SER 58 N -1.05 0.00 -4.95 7.72 7.64 -0.91 -4.97 113.62 117.10 2qbc n SER 58 Ca 0.28 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.93 2qbc n SER 58 Cb 0.94 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.12 2qbc n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qbc s GLU 59 N -1.00 3.47 -1.20 1.43 -6.30 -0.61 -5.01 118.70 109.48 2qbc s GLU 59 Ca 0.00 -0.50 -0.20 0.00 -2.50 0.00 0.00 54.97 51.77 2qbc s GLU 59 Cb 0.00 -2.78 0.05 0.00 0.00 0.00 0.00 34.13 31.40 2qbc s GLU 59 CO 0.00 0.30 1.69 0.08 0.02 0.00 0.00 175.26 177.34 2qbc s VAL 60 N -2.11 3.99 0.32 3.70 1.01 -1.26 -4.73 120.40 121.31 2qbc s VAL 60 Ca 0.37 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 2qbc s VAL 60 Cb -0.10 -5.06 -0.16 0.00 0.00 0.00 0.00 36.38 31.06 2qbc s VAL 60 CO 0.32 -1.87 0.34 0.18 0.00 0.00 0.00 175.10 174.07 2qbc n LEU 61 N 9.27 -1.79 -4.13 3.92 4.77 -0.07 -4.45 117.00 124.51 2qbc n LEU 61 Ca 0.44 0.96 -0.38 0.00 -0.03 0.00 0.00 56.01 57.00 2qbc n LEU 61 Cb 0.47 -0.94 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 2qbc n LEU 61 CO 0.73 -3.49 0.11 0.42 -1.33 0.00 0.00 177.39 173.82 2qbc s THR 62 N -1.36 4.02 -0.10 -5.08 -4.23 0.62 0.09 115.64 109.60 2qbc s THR 62 Ca 0.62 -2.90 -0.28 0.00 -1.18 0.00 0.00 61.69 57.95 2qbc s THR 62 Cb -0.76 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 69.47 2qbc s THR 62 CO 0.59 -0.91 0.91 -0.63 -0.54 0.00 0.00 174.62 174.05 2qbc s ILE 63 N -0.06 4.86 -0.28 2.99 1.09 -1.26 0.11 121.20 128.65 2qbc s ILE 63 Ca 0.17 1.84 -0.02 0.00 -1.10 0.00 0.00 60.65 61.55 2qbc s ILE 63 Cb -0.19 -4.23 0.04 0.00 -1.06 0.00 0.00 42.46 37.03 2qbc s ILE 63 CO -0.04 0.07 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.15 2qbc s VAL 64 N 1.73 2.96 0.07 2.92 1.01 0.40 -2.36 120.40 127.13 2qbc s VAL 64 Ca 0.44 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2qbc s VAL 64 Cb -0.18 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2qbc s VAL 64 CO 0.18 0.00 -0.06 0.68 0.00 0.00 0.00 175.10 175.90 2qbc s VAL 65 N 1.28 0.54 0.00 2.92 -7.23 -1.26 -1.74 120.40 114.92 2qbc s VAL 65 Ca -0.03 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2qbc s VAL 65 Cb -0.19 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.62 2qbc s VAL 65 CO -0.02 -0.66 0.00 -0.67 -0.31 0.00 0.00 175.10 173.44 2qbc n ASP 66 N 0.69 0.00 0.00 4.85 -0.08 -1.26 -1.82 116.55 118.93 2qbc n ASP 66 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 2qbc n ASP 66 Cb 0.58 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.31 2qbc n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qbc n GLY 67 N -1.63 1.97 0.00 0.27 0.00 -1.26 -5.08 105.19 99.45 2qbc n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbc n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbc n LYS 68 N -0.06 3.56 -3.57 1.61 2.85 -0.76 -5.12 118.16 116.68 2qbc n LYS 68 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 2qbc n LYS 68 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2qbc n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2qbc s GLU 69 N 1.03 1.39 0.08 -1.58 1.03 -1.26 -4.09 118.70 115.31 2qbc s GLU 69 Ca 0.00 -0.62 0.00 0.00 0.03 0.00 0.00 54.97 54.38 2qbc s GLU 69 Cb 0.00 0.57 0.00 0.00 -0.80 0.00 0.00 34.13 33.90 2qbc s GLU 69 CO 0.00 -0.62 0.00 0.44 -1.33 0.00 0.00 175.26 173.75 2qbc n ILE 70 N -0.40 0.00 -2.51 1.83 -0.00 -0.99 -4.97 119.36 112.32 2qbc n ILE 70 Ca -0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.58 2qbc n ILE 70 Cb 0.63 -0.45 -0.04 0.00 -0.00 0.00 0.00 39.64 39.78 2qbc n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qbc n LYS 71 N -2.76 -4.13 -4.33 6.28 5.02 -1.26 -4.92 118.16 112.06 2qbc n LYS 71 Ca 0.00 3.17 -0.21 0.00 -2.02 0.00 0.00 58.31 59.24 2qbc n LYS 71 Cb 0.00 -4.77 -0.08 0.00 -0.02 0.00 0.00 35.03 30.16 2qbc n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qbc s VAL 72 N -0.70 0.10 0.41 -0.18 -7.23 0.11 -4.82 120.40 108.09 2qbc s VAL 72 Ca -0.24 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 57.98 2qbc s VAL 72 Cb 0.02 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2qbc s VAL 72 CO 0.73 0.00 0.57 -0.54 -0.31 0.00 0.00 175.10 175.55 2qbc s LYS 73 N -3.46 2.94 -0.72 4.82 1.02 0.16 -0.89 119.74 123.61 2qbc s LYS 73 Ca 0.37 -0.98 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 2qbc s LYS 73 Cb 0.02 -2.72 0.19 0.00 -0.52 0.00 0.00 37.83 34.79 2qbc s LYS 73 CO 0.26 -0.19 0.67 0.00 -0.92 0.00 0.00 175.35 175.17 2qbc s ALA 74 N -2.36 3.92 0.00 5.17 0.00 -1.26 -1.14 121.76 126.09 2qbc s ALA 74 Ca 0.50 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 49.42 2qbc s ALA 74 Cb -0.10 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2qbc s ALA 74 CO 0.34 -2.18 0.31 1.04 0.00 0.00 0.00 175.76 175.26 2qbc n GLN 75 N 4.43 0.00 -3.92 0.00 1.13 0.11 -4.96 117.38 114.18 2qbc n GLN 75 Ca 0.04 0.03 -0.23 0.00 -1.94 0.00 0.00 57.00 54.89 2qbc n GLN 75 Cb 0.44 -0.81 -0.05 0.00 0.11 0.00 0.00 30.24 29.94 2qbc n GLN 75 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2qbc n ASP 76 N -0.34 2.94 -3.69 1.08 4.64 -1.21 -4.97 116.55 115.02 2qbc n ASP 76 Ca 0.00 -2.60 -0.14 0.00 -1.38 0.00 0.00 54.79 50.67 2qbc n ASP 76 Cb 0.00 0.27 -0.08 0.00 -1.04 0.00 0.00 41.12 40.27 2qbc n ASP 76 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2qbc s VAL 77 N -2.33 0.02 -0.50 5.18 0.11 -1.26 -1.77 120.40 119.85 2qbc s VAL 77 Ca 0.01 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2qbc s VAL 77 Cb 0.00 -0.73 0.14 0.00 -1.53 0.00 0.00 36.38 34.26 2qbc s VAL 77 CO 0.00 -0.10 0.28 -1.10 -3.33 0.00 0.00 175.10 170.86 2qbc s GLN 78 N -0.68 1.71 0.92 1.54 -0.21 0.21 -4.99 119.66 118.15 2qbc s GLN 78 Ca -0.08 -2.44 -0.14 0.00 0.02 0.00 0.00 55.36 52.73 2qbc s GLN 78 Cb -0.03 -2.85 0.18 0.00 1.00 0.00 0.00 33.01 31.30 2qbc s GLN 78 CO 0.04 -1.16 1.27 -0.98 -2.12 0.00 0.00 175.29 172.34 2qbc s ARG 79 N -0.15 0.89 0.40 2.91 1.70 -1.26 -0.15 118.95 123.29 2qbc s ARG 79 Ca 0.19 -0.47 -0.23 0.00 -0.47 0.00 0.00 55.73 54.74 2qbc s ARG 79 Cb -0.22 -1.92 -0.09 0.00 -0.57 0.00 0.00 34.95 32.15 2qbc s ARG 79 CO -0.03 -2.22 1.03 -1.58 -1.08 0.00 0.00 175.30 171.42 2qbc s HIS 80 N -3.76 3.28 0.39 5.89 5.65 0.24 -4.71 115.29 122.27 2qbc s HIS 80 Ca 0.72 1.65 0.14 0.00 0.25 0.00 0.00 55.06 57.81 2qbc s HIS 80 Cb -0.05 -3.07 0.97 0.00 -1.18 0.00 0.00 32.58 29.25 2qbc s HIS 80 CO 0.51 -0.52 1.84 -1.35 -0.65 0.00 0.00 174.74 174.58 2qbc h PRO 81 N 2.40 0.51 0.00 2.88 0.11 -1.96 -3.35 132.00 132.59 2qbc h PRO 81 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qbc h PRO 81 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qbc h PRO 81 CO 0.62 0.34 0.00 2.48 -0.21 0.00 0.00 178.00 181.23 2qbc n TYR 82 N -4.56 0.00 -4.25 0.65 0.18 -1.26 -5.09 117.16 102.82 2qbc n TYR 82 Ca 0.20 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.64 2qbc n TYR 82 Cb 0.63 0.02 -0.11 0.00 -0.38 0.00 0.00 39.34 39.50 2qbc n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qbc s LYS 83 N 0.00 3.76 -1.01 -3.48 1.02 -1.26 -5.01 119.74 113.76 2qbc s LYS 83 Ca 0.00 -0.44 -0.26 0.00 0.02 0.00 0.00 55.97 55.29 2qbc s LYS 83 Cb 0.00 -3.02 -0.23 0.00 -0.52 0.00 0.00 37.83 34.05 2qbc s LYS 83 CO 0.00 0.28 2.05 -2.30 -0.92 0.00 0.00 175.35 174.46 2qbc n PRO 84 N 3.45 0.08 -3.60 -1.68 -0.02 -1.26 -3.96 135.00 128.01 2qbc n PRO 84 Ca -0.17 -1.61 -0.04 0.00 -2.02 0.00 0.00 63.50 59.66 2qbc n PRO 84 Cb 0.52 -3.78 -0.02 0.00 -0.02 0.00 0.00 33.50 30.21 2qbc n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbc s LYS 85 N 8.36 0.67 0.59 -0.52 -2.85 -1.26 -5.03 119.74 119.70 2qbc s LYS 85 Ca 0.78 -0.31 0.07 0.00 -1.00 0.00 0.00 55.97 55.51 2qbc s LYS 85 Cb -0.04 0.27 0.09 0.00 -2.06 0.00 0.00 37.83 36.09 2qbc s LYS 85 CO 0.19 -0.30 0.82 -0.51 0.10 0.00 0.00 175.35 175.64 2qbc s LEU 86 N -2.59 3.13 0.00 2.77 1.43 -1.26 0.83 118.68 122.99 2qbc s LEU 86 Ca 0.09 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2qbc s LEU 86 Cb 0.00 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2qbc s LEU 86 CO -0.04 -1.41 0.00 0.00 0.23 0.00 0.00 176.35 175.13 2qbc n GLN 87 N -2.35 0.00 -3.43 1.70 6.02 0.79 -4.60 117.38 115.52 2qbc n GLN 87 Ca 0.15 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.15 2qbc n GLN 87 Cb 0.61 -0.42 -0.05 0.00 1.02 0.00 0.00 30.24 31.41 2qbc n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qbc s HIS 88 N -1.00 -0.57 0.03 1.08 5.04 -1.14 -3.97 115.29 114.76 2qbc s HIS 88 Ca 0.00 1.01 0.06 0.00 -1.54 0.00 0.00 55.06 54.59 2qbc s HIS 88 Cb 0.00 0.34 -0.03 0.00 0.04 0.00 0.00 32.58 32.93 2qbc s HIS 88 CO 0.00 -0.28 -0.15 0.96 -2.34 0.00 0.00 174.74 172.93 2qbc s ILE 89 N 2.16 3.00 -0.48 0.89 -5.25 -1.26 -0.62 121.20 119.64 2qbc s ILE 89 Ca -0.04 -1.08 -0.17 0.00 -0.99 0.00 0.00 60.65 58.38 2qbc s ILE 89 Cb -0.05 -2.28 0.06 0.00 2.95 0.00 0.00 42.46 43.15 2qbc s ILE 89 CO -0.17 0.35 0.47 -1.81 -1.79 0.00 0.00 174.94 172.00 2qbc s ASP 90 N -1.43 6.17 -0.29 4.36 1.11 -0.73 -3.39 116.67 122.48 2qbc s ASP 90 Ca 0.15 -1.16 -0.15 0.00 0.18 0.00 0.00 52.55 51.57 2qbc s ASP 90 Cb -0.11 -2.22 -0.03 0.00 1.07 0.00 0.00 42.92 41.63 2qbc s ASP 90 CO 0.06 -0.72 0.39 -0.36 1.18 0.00 0.00 175.17 175.72 2qbc s PHE 91 N 1.99 3.24 -0.00 4.23 2.99 -0.54 0.07 117.98 129.96 2qbc s PHE 91 Ca 0.08 0.34 0.08 0.00 0.00 0.00 0.00 56.93 57.42 2qbc s PHE 91 Cb -0.22 -2.62 -0.02 0.00 0.00 0.00 0.00 43.02 40.15 2qbc s PHE 91 CO 0.09 -0.29 -0.24 0.08 -0.00 0.00 0.00 175.22 174.86 2qbc s VAL 92 N 2.10 2.30 0.71 -0.44 1.01 -0.29 -1.99 120.40 123.80 2qbc s VAL 92 Ca 0.15 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2qbc s VAL 92 Cb -0.16 -1.85 0.14 0.00 0.00 0.00 0.00 36.38 34.51 2qbc s VAL 92 CO 0.10 0.51 0.97 0.54 0.00 0.00 0.00 175.10 177.23 2qbc n ARG 93 N 2.19 0.00 0.00 2.72 1.74 -0.86 0.36 116.66 122.81 2qbc n ARG 93 Ca -0.16 -2.81 0.13 0.00 -0.77 0.00 0.00 57.85 54.23 2qbc n ARG 93 Cb 0.51 -0.60 0.23 0.00 -1.02 0.00 0.00 32.46 31.58 2qbc n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11