#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqs s GLU 2 N 0.00 1.51 -0.06 0.03 1.03 -1.26 -0.85 118.70 119.11 2oqs s GLU 2 Ca 0.00 -1.66 -0.05 0.00 0.03 0.00 0.00 54.97 53.30 2oqs s GLU 2 Cb 0.00 -1.51 0.02 0.00 -0.80 0.00 0.00 34.13 31.84 2oqs s GLU 2 CO 0.00 0.28 0.15 0.42 -1.33 0.00 0.00 175.26 174.78 2oqs s ILE 3 N -2.56 -0.01 -0.78 1.83 1.09 -0.95 -5.01 121.20 114.81 2oqs s ILE 3 Ca 0.25 0.04 -0.15 0.00 -1.10 0.00 0.00 60.65 59.69 2oqs s ILE 3 Cb -0.04 -0.22 0.20 0.00 -1.06 0.00 0.00 42.46 41.34 2oqs s ILE 3 CO 0.11 0.01 0.73 -0.75 -0.10 0.00 0.00 174.94 174.94 2oqs s LYS 4 N 0.30 3.49 -0.14 2.79 2.20 -1.26 -2.77 119.74 124.34 2oqs s LYS 4 Ca -0.02 -2.30 -0.21 0.00 -0.36 0.00 0.00 55.97 53.08 2oqs s LYS 4 Cb -0.03 -4.42 -0.03 0.00 -1.51 0.00 0.00 37.83 31.84 2oqs s LYS 4 CO -0.01 -1.31 0.63 -0.51 -0.36 0.00 0.00 175.35 173.79 2oqs s LEU 5 N 0.50 4.22 -0.12 5.43 1.43 -0.96 -4.94 118.68 124.24 2oqs s LEU 5 Ca 0.15 0.95 -0.19 0.00 -1.03 0.00 0.00 54.13 54.02 2oqs s LEU 5 Cb -0.14 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2oqs s LEU 5 CO -0.07 -0.18 0.50 -0.51 0.23 0.00 0.00 176.35 176.32 2oqs s ILE 6 N 1.37 5.17 -0.31 -0.59 2.07 -1.26 -0.99 121.20 126.66 2oqs s ILE 6 Ca 0.31 1.00 -0.40 0.00 -1.41 0.00 0.00 60.65 60.15 2oqs s ILE 6 Cb -0.16 -3.84 -0.15 0.00 0.13 0.00 0.00 42.46 38.44 2oqs s ILE 6 CO 0.13 0.31 1.84 1.17 -1.91 0.00 0.00 174.94 176.48 2oqs n LYS 7 N 3.74 1.04 -0.10 3.50 3.00 -0.35 -4.95 118.16 124.04 2oqs n LYS 7 Ca -0.06 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 2oqs n LYS 7 Cb 0.52 -2.11 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2oqs n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2oqs n GLY 8 N 4.80 0.56 1.36 3.14 0.00 -1.26 -4.95 105.19 108.83 2oqs n GLY 8 Ca 0.31 -1.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 2oqs n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oqs n PRO 9 N -0.19 1.19 0.00 1.61 -0.02 -1.26 -4.47 135.00 131.86 2oqs n PRO 9 Ca 0.00 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 2oqs n PRO 9 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2oqs n PRO 9 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2oqs n LYS 10 N 0.67 0.00 -3.60 -0.52 2.85 -1.26 -5.18 118.16 111.12 2oqs n LYS 10 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 2oqs n LYS 10 Cb 0.60 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 2oqs n LYS 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2oqs n GLY 11 N -1.48 -0.75 0.30 2.58 0.00 -1.26 -4.99 105.19 99.60 2oqs n GLY 11 Ca 0.00 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 45.18 2oqs n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2oqs h LEU 12 N 0.00 0.27 -1.88 0.99 3.38 -1.97 -3.16 115.31 112.94 2oqs h LEU 12 Ca 0.00 0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 2oqs h LEU 12 Cb 0.00 0.14 0.10 0.00 0.09 0.00 0.00 40.66 40.98 2oqs h LEU 12 CO 0.00 0.02 -0.44 0.61 0.09 0.00 0.00 178.44 178.71 2oqs n GLY 13 N -1.34 -0.04 1.13 0.83 0.00 -1.26 0.86 105.19 105.37 2oqs n GLY 13 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2oqs n GLY 13 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2oqs n PHE 14 N -2.75 -1.01 -4.49 1.61 1.16 -1.26 0.38 117.46 111.09 2oqs n PHE 14 Ca -0.15 -0.44 -0.24 0.00 -1.87 0.00 0.00 57.45 54.76 2oqs n PHE 14 Cb 0.59 0.21 -0.09 0.00 -1.61 0.00 0.00 39.48 38.58 2oqs n PHE 14 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2oqs s SER 15 N -1.68 2.59 0.30 5.98 1.04 0.15 -4.86 113.70 117.22 2oqs s SER 15 Ca 0.06 -1.50 -0.17 0.00 0.48 0.00 0.00 55.95 54.82 2oqs s SER 15 Cb -0.01 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2oqs s SER 15 CO 0.02 -0.74 0.66 0.27 0.98 0.00 0.00 173.24 174.43 2oqs s ILE 16 N -3.25 0.00 0.17 -1.02 -0.00 -1.26 -2.26 121.20 113.57 2oqs s ILE 16 Ca 0.30 -1.14 0.00 0.00 -0.00 0.00 0.00 60.65 59.82 2oqs s ILE 16 Cb 0.06 -2.29 -0.04 0.00 -0.00 0.00 0.00 42.46 40.18 2oqs s ILE 16 CO 0.14 0.00 0.04 0.00 -0.00 0.00 0.00 174.94 175.13 2oqs s ALA 17 N -3.51 1.19 0.00 2.27 0.00 0.14 -4.74 121.76 117.11 2oqs s ALA 17 Ca 0.16 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2oqs s ALA 17 Cb -0.04 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.88 2oqs s ALA 17 CO 0.09 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2oqs n GLY 18 N -0.21 2.72 0.00 0.00 0.00 -1.08 -1.88 105.19 104.73 2oqs n GLY 18 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2oqs n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqs n GLY 19 N -0.13 2.37 3.77 -0.02 0.00 -0.71 0.45 105.19 110.92 2oqs n GLY 19 Ca 0.00 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 2oqs n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oqs s VAL 20 N -2.92 2.48 0.00 1.61 1.01 -1.26 0.16 120.40 121.49 2oqs s VAL 20 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2oqs s VAL 20 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2oqs s VAL 20 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2oqs n GLY 21 N 0.67 3.04 0.49 4.51 0.00 -1.26 -4.62 105.19 108.01 2oqs n GLY 21 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2oqs n GLY 21 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2oqs n ASN 22 N 0.07 0.76 -4.73 1.61 2.04 -0.99 -5.11 115.26 108.91 2oqs n ASN 22 Ca 0.00 -2.35 -0.38 0.00 -0.44 0.00 0.00 54.58 51.41 2oqs n ASN 22 Cb 0.00 -0.28 0.05 0.00 -2.53 0.00 0.00 39.78 37.02 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2oqs n GLN 23 N -0.36 1.54 0.10 -3.83 6.02 0.12 -2.64 117.38 118.33 2oqs n GLN 23 Ca 0.05 0.57 0.08 0.00 -0.01 0.00 0.00 57.00 57.70 2oqs n GLN 23 Cb 0.73 -2.52 -0.00 0.00 1.02 0.00 0.00 30.24 29.47 2oqs n GLN 23 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2oqs h HIS 24 N 1.24 0.00 -2.76 1.08 -0.00 -1.81 -3.45 115.15 109.45 2oqs h HIS 24 Ca -0.50 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 59.72 2oqs h HIS 24 Cb 1.32 0.00 -0.28 0.00 -0.00 0.00 0.00 27.41 28.45 2oqs h HIS 24 CO 0.44 0.15 -0.36 0.42 -0.00 0.00 0.00 177.93 178.58 2oqs s ILE 25 N -3.23 -0.06 -0.08 6.26 1.01 -1.26 -5.06 121.20 118.78 2oqs s ILE 25 Ca -0.00 0.12 -0.38 0.00 0.00 0.00 0.00 60.65 60.39 2oqs s ILE 25 Cb 0.09 -0.54 -0.15 0.00 0.01 0.00 0.00 42.46 41.87 2oqs s ILE 25 CO 0.78 0.05 1.60 -2.65 0.00 0.00 0.00 174.94 174.72 2oqs n PRO 26 N 4.33 1.38 0.00 2.79 -0.02 -1.26 -2.21 135.00 140.00 2oqs n PRO 26 Ca -0.23 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2oqs n PRO 26 Cb 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2oqs n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oqs n GLY 27 N 3.52 2.66 3.55 -1.23 0.00 -1.26 -4.97 105.19 107.46 2oqs n GLY 27 Ca 0.22 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2oqs n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oqs s ASP 28 N 0.00 6.43 -0.06 1.61 1.01 -0.94 -4.91 116.67 119.82 2oqs s ASP 28 Ca 0.00 -0.06 0.08 0.00 0.71 0.00 0.00 52.55 53.28 2oqs s ASP 28 Cb 0.00 -2.41 0.32 0.00 1.01 0.00 0.00 42.92 41.84 2oqs s ASP 28 CO 0.00 -0.98 1.12 0.59 0.21 0.00 0.00 175.17 176.11 2oqs n ASN 29 N 6.91 2.45 -3.48 0.27 4.13 -1.26 -4.01 115.26 120.26 2oqs n ASN 29 Ca 0.03 -2.23 -0.29 0.00 1.68 0.00 0.00 54.58 53.77 2oqs n ASN 29 Cb 0.48 -0.42 0.25 0.00 -1.54 0.00 0.00 39.78 38.55 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2oqs n SER 30 N 0.33 -2.40 -4.48 6.41 7.64 -1.26 -1.73 113.62 118.13 2oqs n SER 30 Ca 0.11 -1.11 -0.42 0.00 1.01 0.00 0.00 58.87 58.46 2oqs n SER 30 Cb 0.49 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.61 2oqs n SER 30 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oqs s ILE 31 N -2.81 5.22 0.00 0.44 -1.09 -0.82 -4.08 121.20 118.06 2oqs s ILE 31 Ca 0.69 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.66 2oqs s ILE 31 Cb -0.08 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2oqs s ILE 31 CO 0.54 -0.28 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.59 2oqs s TYR 32 N 1.81 2.89 0.14 3.97 1.51 -0.79 0.56 117.35 127.45 2oqs s TYR 32 Ca 0.07 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 55.80 2oqs s TYR 32 Cb -0.18 -1.61 -0.07 0.00 -0.11 0.00 0.00 41.96 39.99 2oqs s TYR 32 CO 0.11 0.37 1.07 0.08 -1.11 0.00 0.00 175.55 176.08 2oqs s VAL 33 N -0.99 4.10 -0.16 0.71 1.01 -1.20 0.23 120.40 124.09 2oqs s VAL 33 Ca 0.17 1.73 0.12 0.00 0.00 0.00 0.00 61.98 63.99 2oqs s VAL 33 Cb -0.11 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 31.99 2oqs s VAL 33 CO 0.07 0.26 0.02 0.35 0.00 0.00 0.00 175.10 175.80 2oqs n THR 34 N 2.77 1.06 -3.65 3.92 -2.24 -0.96 -3.29 114.28 111.89 2oqs n THR 34 Ca 0.04 -0.61 -0.03 0.00 -2.27 0.00 0.00 64.05 61.17 2oqs n THR 34 Cb 0.47 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 2oqs n THR 34 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2oqs s LYS 35 N -2.37 0.54 -0.29 -0.78 1.02 -1.26 -4.96 119.74 111.64 2oqs s LYS 35 Ca -0.11 1.37 -0.16 0.00 0.02 0.00 0.00 55.97 57.09 2oqs s LYS 35 Cb 0.05 0.75 -0.03 0.00 -0.52 0.00 0.00 37.83 38.08 2oqs s LYS 35 CO 0.60 -0.21 0.42 0.42 -0.92 0.00 0.00 175.35 175.67 2oqs s ILE 36 N 2.79 5.13 0.38 2.17 1.01 -1.26 0.32 121.20 131.73 2oqs s ILE 36 Ca -0.05 0.55 -0.25 0.00 0.00 0.00 0.00 60.65 60.90 2oqs s ILE 36 Cb -0.12 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 2oqs s ILE 36 CO -0.18 0.06 1.08 -0.63 0.00 0.00 0.00 174.94 175.28 2oqs s ILE 37 N 2.17 3.56 0.42 2.92 1.09 0.16 -4.93 121.20 126.58 2oqs s ILE 37 Ca 0.17 1.27 -0.26 0.00 -1.10 0.00 0.00 60.65 60.72 2oqs s ILE 37 Cb -0.16 -3.69 -0.10 0.00 -1.06 0.00 0.00 42.46 37.45 2oqs s ILE 37 CO 0.10 0.08 1.38 1.21 -0.10 0.00 0.00 174.94 177.61 2oqs n GLU 38 N 0.14 2.20 -1.84 2.79 2.13 -1.26 -2.17 120.64 122.63 2oqs n GLU 38 Ca 0.04 0.78 -0.19 0.00 0.66 0.00 0.00 57.16 58.45 2oqs n GLU 38 Cb 0.48 -2.53 -0.05 0.00 0.27 0.00 0.00 31.44 29.61 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oqs n GLY 39 N 0.65 1.00 3.98 8.31 0.00 -1.26 -4.99 105.19 112.89 2oqs n GLY 39 Ca 0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 2oqs n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqs s GLY 40 N -2.57 1.86 0.17 -0.02 0.00 -0.92 -4.82 107.32 101.01 2oqs s GLY 40 Ca 0.00 -1.43 -0.26 0.00 0.00 0.00 0.00 44.72 43.03 2oqs s GLY 40 CO 0.00 -1.17 1.57 0.00 0.00 0.00 0.00 173.10 173.50 2oqs h ALA 41 N 0.22 -0.35 -0.01 3.20 0.00 0.50 0.24 119.26 123.06 2oqs h ALA 41 Ca -0.41 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2oqs h ALA 41 Cb 1.29 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 20.04 2oqs h ALA 41 CO 0.50 -0.84 -0.00 0.00 0.00 0.00 0.00 179.25 178.91 2oqs h ALA 42 N 0.59 0.01 -0.51 0.00 0.00 -1.83 -1.52 119.26 116.00 2oqs h ALA 42 Ca 0.17 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2oqs h ALA 42 Cb 0.57 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 2oqs h ALA 42 CO -0.67 -0.31 -0.18 1.25 0.00 0.00 0.00 179.25 179.34 2oqs h HIS 43 N -0.34 -0.43 -0.32 0.00 6.17 -1.67 0.92 115.15 119.47 2oqs h HIS 43 Ca 0.00 0.05 -0.12 0.00 0.71 0.00 0.00 60.37 61.01 2oqs h HIS 43 Cb 0.36 0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.55 2oqs h HIS 43 CO 0.05 -0.27 -0.29 0.87 0.71 0.00 0.00 177.93 179.00 2oqs h LYS 44 N -0.06 0.67 0.19 5.26 1.57 -0.57 -3.21 116.57 120.41 2oqs h LYS 44 Ca 0.24 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2oqs h LYS 44 Cb 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2oqs h LYS 44 CO -0.55 0.88 -0.09 0.22 -0.57 0.00 0.00 179.45 179.33 2oqs h ASP 45 N 0.57 -0.21 0.00 0.86 1.82 -0.09 -3.47 116.42 115.90 2oqs h ASP 45 Ca 0.07 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2oqs h ASP 45 Cb 0.78 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2oqs h ASP 45 CO 0.06 -0.10 0.00 0.61 -1.61 0.00 0.00 179.24 178.21 2oqs n GLY 46 N -1.03 3.10 0.07 -0.78 0.00 0.18 -4.86 105.19 101.87 2oqs n GLY 46 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 2oqs n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2oqs h LYS 47 N 2.21 0.04 -5.51 1.61 1.63 -1.91 -3.44 116.57 111.20 2oqs h LYS 47 Ca 0.00 -0.07 -0.61 0.00 -0.85 0.00 0.00 60.65 59.13 2oqs h LYS 47 Cb 0.00 0.02 -0.11 0.00 -0.60 0.00 0.00 32.23 31.54 2oqs h LYS 47 CO 0.00 1.00 0.14 -1.17 -3.45 0.00 0.00 179.45 175.97 2oqs s LEU 48 N -6.86 4.07 0.01 5.20 0.20 -1.26 -5.06 118.68 114.99 2oqs s LEU 48 Ca 0.00 0.71 0.05 0.00 0.69 0.00 0.00 54.13 55.58 2oqs s LEU 48 Cb 0.10 -2.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.00 2oqs s LEU 48 CO 0.82 -0.35 -0.15 0.00 -0.29 0.00 0.00 176.35 176.38 2oqs s GLN 49 N 2.41 1.14 -0.29 1.98 0.00 -1.26 -4.69 119.66 118.95 2oqs s GLN 49 Ca 0.26 -0.66 -0.42 0.00 -0.00 0.00 0.00 55.36 54.54 2oqs s GLN 49 Cb -0.16 -1.14 -0.17 0.00 0.00 0.00 0.00 33.01 31.54 2oqs s GLN 49 CO 0.09 0.30 1.63 -0.89 0.00 0.00 0.00 175.29 176.42 2oqs n ILE 50 N 2.33 0.18 0.00 3.63 2.08 -1.26 -2.01 119.36 124.31 2oqs n ILE 50 Ca -0.16 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.12 2oqs n ILE 50 Cb 0.55 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.52 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2oqs n GLY 51 N 3.83 2.16 3.74 7.39 0.00 -1.21 -5.04 105.19 116.06 2oqs n GLY 51 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 2oqs n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2oqs s ASP 52 N -1.90 4.39 0.09 1.61 1.47 -0.85 -4.85 116.67 116.63 2oqs s ASP 52 Ca 0.00 2.12 0.06 0.00 1.18 0.00 0.00 52.55 55.91 2oqs s ASP 52 Cb 0.00 -2.56 -0.04 0.00 -0.34 0.00 0.00 42.92 39.98 2oqs s ASP 52 CO 0.00 -2.12 -0.07 -1.59 0.68 0.00 0.00 175.17 172.07 2oqs s LYS 53 N -4.24 2.28 -0.46 2.11 0.00 -1.26 -3.27 119.74 114.90 2oqs s LYS 53 Ca 0.68 -0.94 -0.13 0.00 0.00 0.00 0.00 55.97 55.58 2oqs s LYS 53 Cb -0.23 -2.39 0.08 0.00 0.00 0.00 0.00 37.83 35.29 2oqs s LYS 53 CO 0.47 0.53 0.35 -1.17 0.00 0.00 0.00 175.35 175.54 2oqs s LEU 54 N -2.12 5.49 -0.07 2.77 0.20 0.19 -3.94 118.68 121.20 2oqs s LEU 54 Ca 0.22 -1.42 -0.25 0.00 0.69 0.00 0.00 54.13 53.37 2oqs s LEU 54 Cb -0.11 -2.11 -0.21 0.00 -0.43 0.00 0.00 46.19 43.33 2oqs s LEU 54 CO 0.14 -0.62 0.99 0.25 -0.29 0.00 0.00 176.35 176.81 2oqs h LEU 55 N 8.64 -0.04 -7.12 -0.68 5.85 -0.12 -3.31 115.31 118.53 2oqs h LEU 55 Ca -0.26 -0.61 -0.05 0.00 0.84 0.00 0.00 57.88 57.79 2oqs h LEU 55 Cb 1.10 0.01 -0.16 0.00 0.37 0.00 0.00 40.66 41.98 2oqs h LEU 55 CO 0.84 0.63 0.10 0.00 -0.34 0.00 0.00 178.44 179.68 2oqs s ALA 56 N -3.43 -1.47 -0.13 1.25 0.00 -0.98 0.11 121.76 117.12 2oqs s ALA 56 Ca -0.16 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 2oqs s ALA 56 Cb -0.00 0.42 0.06 0.00 0.00 0.00 0.00 23.12 23.60 2oqs s ALA 56 CO 0.62 -0.54 0.26 0.14 0.00 0.00 0.00 175.76 176.24 2oqs s VAL 57 N -2.50 -0.39 -0.93 0.00 -7.23 0.26 0.95 120.40 110.57 2oqs s VAL 57 Ca -0.05 0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 60.34 2oqs s VAL 57 Cb -0.01 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.51 2oqs s VAL 57 CO -0.02 0.12 0.71 0.59 -0.31 0.00 0.00 175.10 176.19 2oqs n ASN 58 N 5.27 -4.86 0.00 4.85 3.02 -1.07 -2.64 115.26 119.83 2oqs n ASN 58 Ca -0.07 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 2oqs n ASN 58 Cb 0.50 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 2oqs n ASN 58 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2oqs n ASN 59 N -1.42 0.00 -4.88 6.41 5.15 -1.26 -5.02 115.26 114.25 2oqs n ASN 59 Ca -0.01 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.63 2oqs n ASN 59 Cb 0.55 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.75 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2oqs s VAL 60 N -2.02 5.13 -0.03 3.44 -7.23 -1.08 -5.07 120.40 113.54 2oqs s VAL 60 Ca 0.00 0.28 -0.24 0.00 -1.81 0.00 0.00 61.98 60.21 2oqs s VAL 60 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2oqs s VAL 60 CO 0.00 0.20 0.71 0.00 -0.31 0.00 0.00 175.10 175.70 2oqs n LEU 62 N 3.46 6.21 -0.00 0.00 7.94 0.12 -4.35 117.00 130.38 2oqs n LEU 62 Ca -0.02 -3.70 0.02 0.00 -1.11 0.00 0.00 56.01 51.21 2oqs n LEU 62 Cb 0.51 -0.80 -0.04 0.00 0.53 0.00 0.00 43.42 43.62 2oqs n LEU 62 CO 0.47 1.13 -0.56 1.21 -1.11 0.00 0.00 177.39 178.53 2oqs n GLU 63 N -1.13 0.19 -1.91 1.96 2.13 -1.23 -1.94 120.64 118.70 2oqs n GLU 63 Ca 0.54 -0.04 -0.19 0.00 0.66 0.00 0.00 57.16 58.13 2oqs n GLU 63 Cb 1.48 -1.12 0.04 0.00 0.27 0.00 0.00 31.44 32.12 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2oqs n GLU 64 N -1.68 3.23 -4.16 5.31 4.71 -1.26 -4.20 120.64 122.58 2oqs n GLU 64 Ca -0.01 -4.01 -0.11 0.00 -0.01 0.00 0.00 57.16 53.02 2oqs n GLU 64 Cb 0.13 -2.14 -0.10 0.00 -1.01 0.00 0.00 31.44 28.32 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2oqs s VAL 65 N -4.35 0.73 0.09 2.62 -7.23 -1.26 -5.12 120.40 105.88 2oqs s VAL 65 Ca 0.48 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2oqs s VAL 65 Cb 0.40 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.83 2oqs s VAL 65 CO 0.02 -0.77 0.07 0.41 -0.31 0.00 0.00 175.10 174.52 2oqs n THR 66 N 0.19 0.00 -0.04 5.32 -1.04 -1.26 -3.12 114.28 114.33 2oqs n THR 66 Ca -0.14 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.05 61.68 2oqs n THR 66 Cb 0.60 -0.94 -0.06 0.00 -1.82 0.00 0.00 70.33 68.10 2oqs n THR 66 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2oqs h HIS 67 N -1.63 1.07 -0.73 -1.42 2.76 -0.32 -2.83 115.15 112.06 2oqs h HIS 67 Ca -0.03 -0.44 0.14 0.00 -2.20 0.00 0.00 60.37 57.84 2oqs h HIS 67 Cb 0.09 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 28.78 2oqs h HIS 67 CO 0.00 1.27 0.26 0.93 -1.30 0.00 0.00 177.93 179.09 2oqs h GLU 68 N 0.56 0.38 -0.39 5.26 3.07 -1.93 0.68 114.58 122.20 2oqs h GLU 68 Ca -0.03 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 2oqs h GLU 68 Cb 1.32 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 2oqs h GLU 68 CO 0.15 0.25 -0.16 0.93 -1.40 0.00 0.00 179.01 178.78 2oqs h GLU 69 N 0.39 0.73 -0.72 2.33 3.07 -1.90 0.26 114.58 118.74 2oqs h GLU 69 Ca 0.40 -0.26 0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2oqs h GLU 69 Cb 0.61 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 2oqs h GLU 69 CO -0.42 0.85 0.47 0.00 -1.40 0.00 0.00 179.01 178.51 2oqs h ALA 70 N 1.17 0.91 0.18 3.43 0.00 -0.68 0.45 119.26 124.72 2oqs h ALA 70 Ca 0.10 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.67 2oqs h ALA 70 Cb 0.63 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2oqs h ALA 70 CO 0.04 0.32 -1.34 0.28 0.00 0.00 0.00 179.25 178.55 2oqs h VAL 71 N 0.96 1.40 -0.71 0.00 2.07 -0.95 -2.95 116.25 116.08 2oqs h VAL 71 Ca 0.27 -2.90 -0.07 0.00 0.82 0.00 0.00 66.70 64.81 2oqs h VAL 71 Cb -0.10 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 2oqs h VAL 71 CO -0.06 0.86 0.16 0.74 0.02 0.00 0.00 177.57 179.29 2oqs h THR 72 N 0.11 1.26 -0.31 2.57 2.02 -0.29 0.34 112.91 118.60 2oqs h THR 72 Ca -0.19 -0.99 -0.17 0.00 0.77 0.00 0.00 66.41 65.84 2oqs h THR 72 Cb 2.06 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 2oqs h THR 72 CO 0.24 0.38 -0.47 0.00 0.37 0.00 0.00 175.52 176.04 2oqs h ALA 73 N 1.09 0.58 -0.10 6.16 0.00 -1.01 0.29 119.26 126.27 2oqs h ALA 73 Ca 0.22 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 2oqs h ALA 73 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2oqs h ALA 73 CO 0.00 0.68 -0.58 -0.07 0.00 0.00 0.00 179.25 179.28 2oqs h LEU 74 N 0.66 0.35 -0.61 0.00 -0.00 -1.34 -3.02 115.31 111.36 2oqs h LEU 74 Ca 0.04 -0.19 -0.10 0.00 -0.00 0.00 0.00 57.88 57.63 2oqs h LEU 74 Cb 1.05 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.60 2oqs h LEU 74 CO 0.10 0.86 -0.45 0.50 -0.00 0.00 0.00 178.44 179.45 2oqs h LYS 75 N 0.23 0.00 -3.58 1.13 1.63 -0.15 -3.37 116.57 112.47 2oqs h LYS 75 Ca -0.00 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.17 2oqs h LYS 75 Cb 1.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2oqs h LYS 75 CO 0.09 0.45 3.22 -1.71 -3.45 0.00 0.00 179.45 178.05 2oqs n ASN 76 N -3.43 5.78 -4.18 4.20 5.15 0.07 -4.87 115.26 117.98 2oqs n ASN 76 Ca 0.00 -2.62 -0.29 0.00 -0.60 0.00 0.00 54.58 51.07 2oqs n ASN 76 Cb 0.60 -1.45 -0.17 0.00 -0.53 0.00 0.00 39.78 38.24 2oqs n ASN 76 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2oqs s THR 77 N 3.08 1.74 0.00 -0.44 -4.23 -1.26 -5.00 115.64 109.52 2oqs s THR 77 Ca 0.56 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 2oqs s THR 77 Cb 0.15 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.49 2oqs s THR 77 CO -0.04 0.49 0.00 -1.20 -0.54 0.00 0.00 174.62 173.33 2oqs n SER 78 N 3.33 0.00 -0.13 3.99 7.64 -1.26 -5.00 113.62 122.19 2oqs n SER 78 Ca -0.19 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.43 2oqs n SER 78 Cb 0.52 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2oqs n ASP 79 N -1.13 1.93 -4.34 6.43 9.92 -1.26 -4.72 116.55 123.37 2oqs n ASP 79 Ca 0.00 0.37 -0.21 0.00 -0.53 0.00 0.00 54.79 54.42 2oqs n ASP 79 Cb 0.00 -0.86 -0.10 0.00 -0.64 0.00 0.00 41.12 39.52 2oqs n ASP 79 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2oqs s PHE 80 N -2.48 1.80 -0.04 1.24 5.36 -1.26 -1.21 117.98 121.39 2oqs s PHE 80 Ca -0.35 -1.09 -0.02 0.00 -0.96 0.00 0.00 56.93 54.51 2oqs s PHE 80 Cb 0.12 -1.14 0.03 0.00 -0.34 0.00 0.00 43.02 41.68 2oqs s PHE 80 CO 0.51 -0.16 0.08 0.14 -1.46 0.00 0.00 175.22 174.34 2oqs s VAL 81 N -3.42 -0.04 -0.44 3.12 -7.23 -0.16 -4.86 120.40 107.38 2oqs s VAL 81 Ca 0.35 0.14 -0.04 0.00 -1.81 0.00 0.00 61.98 60.62 2oqs s VAL 81 Cb 0.07 -0.15 0.12 0.00 0.56 0.00 0.00 36.38 36.98 2oqs s VAL 81 CO 0.15 0.06 0.25 -0.47 -0.31 0.00 0.00 175.10 174.77 2oqs s TYR 82 N 0.81 3.55 -0.06 2.82 6.14 -1.26 -2.27 117.35 127.07 2oqs s TYR 82 Ca -0.06 -2.36 -0.19 0.00 0.64 0.00 0.00 57.07 55.09 2oqs s TYR 82 Cb -0.09 -3.27 -0.05 0.00 0.42 0.00 0.00 41.96 38.98 2oqs s TYR 82 CO -0.03 -0.97 0.53 -1.17 0.64 0.00 0.00 175.55 174.56 2oqs s LEU 83 N 1.07 4.35 0.01 6.97 0.20 -1.12 -2.59 118.68 127.57 2oqs s LEU 83 Ca 0.09 0.99 0.08 0.00 0.69 0.00 0.00 54.13 55.97 2oqs s LEU 83 Cb -0.23 -2.80 -0.03 0.00 -0.43 0.00 0.00 46.19 42.70 2oqs s LEU 83 CO -0.04 0.05 -0.23 -0.54 -0.29 0.00 0.00 176.35 175.31 2oqs s LYS 84 N 0.21 2.05 -0.02 1.98 -0.14 0.27 -2.25 119.74 121.84 2oqs s LYS 84 Ca 0.29 -0.97 0.05 0.00 -1.36 0.00 0.00 55.97 53.97 2oqs s LYS 84 Cb -0.17 -2.10 -0.01 0.00 -1.68 0.00 0.00 37.83 33.87 2oqs s LYS 84 CO 0.14 0.55 -0.16 0.08 -0.76 0.00 0.00 175.35 175.20 2oqs s VAL 85 N -0.77 1.27 0.17 3.17 1.01 -0.03 0.60 120.40 125.82 2oqs s VAL 85 Ca 0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2oqs s VAL 85 Cb -0.10 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2oqs s VAL 85 CO 0.02 0.36 0.36 0.00 0.00 0.00 0.00 175.10 175.84 2oqs s ALA 86 N -0.27 3.85 -0.61 5.51 0.00 -1.25 -3.08 121.76 125.90 2oqs s ALA 86 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 2oqs s ALA 86 Cb -0.07 -2.00 0.16 0.00 0.00 0.00 0.00 23.12 21.21 2oqs s ALA 86 CO -0.00 0.53 0.41 0.21 0.00 0.00 0.00 175.76 176.91 2oqs s LYS 87 N -3.09 2.46 0.75 0.00 2.36 -1.26 -4.76 119.74 116.21 2oqs s LYS 87 Ca 0.38 -2.60 -0.11 0.00 -2.55 0.00 0.00 55.97 51.10 2oqs s LYS 87 Cb -0.11 -3.64 0.04 0.00 -1.05 0.00 0.00 37.83 33.07 2oqs s LYS 87 CO 0.28 -1.16 1.08 -1.25 1.55 0.00 0.00 175.35 175.85 2oqs s PRO 88 N -0.19 2.43 -0.26 4.03 0.04 -1.26 -5.02 135.00 134.76 2oqs s PRO 88 Ca 0.17 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 2oqs s PRO 88 Cb -0.21 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 2oqs s PRO 88 CO -0.03 -1.51 -0.23 0.25 0.04 0.00 0.00 177.00 175.53 2oqs n THR 89 N -3.42 1.53 -3.94 1.26 -2.24 -1.26 -5.09 114.28 101.11 2oqs n THR 89 Ca 0.09 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2oqs n THR 89 Cb 0.53 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 2oqs n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oqs n GLY 90 N 1.30 0.06 0.12 3.38 0.00 -1.26 -4.49 105.19 104.30 2oqs n GLY 90 Ca -0.48 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 2oqs n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oqs n SER 91 N 2.84 1.95 -0.85 1.61 7.64 -1.26 -5.28 113.62 120.27 2oqs n SER 91 Ca 0.00 0.34 0.12 0.00 1.01 0.00 0.00 58.87 60.34 2oqs n SER 91 Cb 0.00 -0.79 0.19 0.00 -1.01 0.00 0.00 64.21 62.60 2oqs n SER 91 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44