#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 2.79 -0.32 2.12 1.03 -1.26 -0.24 118.70 122.82 2oqs s GLU 2 Ca 0.00 -0.69 -0.00 0.00 0.03 0.00 0.00 54.97 54.30 2oqs s GLU 2 Cb 0.00 -2.68 0.13 0.00 -0.80 0.00 0.00 34.13 30.78 2oqs s GLU 2 CO 0.00 0.58 0.25 0.42 -1.33 0.00 0.00 175.26 175.18 2oqs s ILE 3 N -1.29 -0.17 0.04 1.83 1.09 0.23 -4.93 121.20 118.00 2oqs s ILE 3 Ca 0.26 -0.97 -0.12 0.00 -1.10 0.00 0.00 60.65 58.72 2oqs s ILE 3 Cb -0.12 -0.95 -0.06 0.00 -1.06 0.00 0.00 42.46 40.28 2oqs s ILE 3 CO 0.18 -0.69 0.39 -1.59 -0.10 0.00 0.00 174.94 173.13 2oqs s LYS 4 N 1.78 3.81 0.26 2.79 -2.85 -1.26 -2.15 119.74 122.11 2oqs s LYS 4 Ca 0.13 0.26 -0.11 0.00 -1.00 0.00 0.00 55.97 55.25 2oqs s LYS 4 Cb -0.17 -3.10 -0.01 0.00 -2.06 0.00 0.00 37.83 32.50 2oqs s LYS 4 CO -0.19 0.62 0.46 -0.51 0.10 0.00 0.00 175.35 175.83 2oqs s LEU 5 N -1.53 0.45 0.05 2.77 1.02 -1.09 -5.00 118.68 115.34 2oqs s LEU 5 Ca 0.28 -1.03 -0.19 0.00 0.02 0.00 0.00 54.13 53.22 2oqs s LEU 5 Cb -0.15 1.65 -0.06 0.00 0.02 0.00 0.00 46.19 47.65 2oqs s LEU 5 CO 0.15 -1.15 0.54 -0.51 0.02 0.00 0.00 176.35 175.41 2oqs s ILE 6 N -3.89 4.81 -0.16 -0.59 2.07 -1.26 -2.78 121.20 119.40 2oqs s ILE 6 Ca 0.24 1.15 -0.08 0.00 -1.41 0.00 0.00 60.65 60.56 2oqs s ILE 6 Cb -0.00 -3.87 -0.04 0.00 0.13 0.00 0.00 42.46 38.68 2oqs s ILE 6 CO 0.10 0.54 0.11 -0.75 -1.91 0.00 0.00 174.94 173.03 2oqs s LYS 7 N -0.98 3.77 0.39 3.50 2.36 0.38 -4.95 119.74 124.21 2oqs s LYS 7 Ca 0.28 -0.23 0.08 0.00 -2.55 0.00 0.00 55.97 53.55 2oqs s LYS 7 Cb -0.19 -3.24 -0.04 0.00 -1.05 0.00 0.00 37.83 33.32 2oqs s LYS 7 CO 0.18 0.50 0.25 0.20 1.55 0.00 0.00 175.35 178.03 2oqs s GLY 8 N -0.25 2.14 -1.21 5.54 0.00 -1.26 -4.78 107.32 107.50 2oqs s GLY 8 Ca 0.10 -1.94 -0.21 0.00 0.00 0.00 0.00 44.72 42.67 2oqs s GLY 8 CO 0.01 -1.78 1.89 -1.05 0.00 0.00 0.00 173.10 172.17 2oqs n PRO 9 N -1.34 2.03 0.00 2.90 -0.02 -1.26 -4.06 135.00 133.25 2oqs n PRO 9 Ca 0.00 -2.67 0.00 0.00 -2.02 0.00 0.00 63.50 58.81 2oqs n PRO 9 Cb 0.62 -3.64 0.00 0.00 -0.02 0.00 0.00 33.50 30.46 2oqs n PRO 9 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2oqs n LYS 10 N 8.24 0.00 -3.34 -0.52 4.81 -1.26 -5.19 118.16 120.90 2oqs n LYS 10 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 2oqs n LYS 10 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 2oqs n LYS 10 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2oqs n GLY 11 N -0.65 -1.51 0.23 3.14 0.00 -1.26 -5.01 105.19 100.13 2oqs n GLY 11 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 0.81 0.00 0.99 3.38 -1.94 -3.43 115.31 115.12 2oqs h LEU 12 Ca 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2oqs h LEU 12 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2oqs h LEU 12 CO 0.00 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.35 2oqs n GLY 13 N 0.37 1.09 2.53 0.83 0.00 -1.26 -0.19 105.19 108.55 2oqs n GLY 13 Ca -0.04 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.46 -1.79 -4.54 1.61 1.16 -1.26 0.60 117.46 110.78 2oqs n PHE 14 Ca 0.00 -1.34 -0.25 0.00 -1.87 0.00 0.00 57.45 53.99 2oqs n PHE 14 Cb 0.18 0.59 -0.10 0.00 -1.61 0.00 0.00 39.48 38.54 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 -2.43 2.99 0.25 5.98 1.04 0.19 -4.93 113.70 116.79 2oqs s SER 15 Ca 0.13 -1.46 -0.17 0.00 0.48 0.00 0.00 55.95 54.92 2oqs s SER 15 Cb -0.03 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.13 2oqs s SER 15 CO 0.09 -0.66 0.59 0.27 0.98 0.00 0.00 173.24 174.52 2oqs s ILE 16 N -3.10 0.00 0.18 -1.02 -0.00 -1.26 -2.67 121.20 113.33 2oqs s ILE 16 Ca 0.30 -1.10 0.01 0.00 -0.00 0.00 0.00 60.65 59.87 2oqs s ILE 16 Cb 0.07 -1.98 -0.05 0.00 -0.00 0.00 0.00 42.46 40.50 2oqs s ILE 16 CO 0.14 -0.02 0.02 0.00 -0.00 0.00 0.00 174.94 175.08 2oqs s ALA 17 N -3.95 1.32 0.00 2.27 0.00 0.48 -4.74 121.76 117.13 2oqs s ALA 17 Ca 0.15 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2oqs s ALA 17 Cb -0.03 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2oqs s ALA 17 CO 0.06 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2oqs n GLY 18 N -0.24 2.66 0.00 0.00 0.00 -1.08 -1.97 105.19 104.56 2oqs n GLY 18 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.16 2.51 3.77 -0.02 0.00 -1.13 0.09 105.19 110.26 2oqs n GLY 19 Ca 0.00 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.57 2.44 0.00 1.61 1.01 -1.26 0.17 120.40 121.80 2oqs s VAL 20 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2oqs s VAL 20 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.10 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 0.71 2.78 0.90 4.51 0.00 -1.26 -4.66 105.19 108.17 2oqs n GLY 21 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.31 -4.73 1.61 6.94 -0.93 -5.13 115.26 113.33 2oqs n ASN 22 Ca 0.00 -1.92 -0.35 0.00 -0.02 0.00 0.00 54.58 52.29 2oqs n ASN 22 Cb 0.00 -0.19 0.08 0.00 -2.36 0.00 0.00 39.78 37.30 2oqs n ASN 22 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2oqs s GLN 23 N 0.00 2.40 -0.00 -3.83 -0.21 0.13 -2.64 119.66 115.51 2oqs s GLN 23 Ca 0.12 1.85 0.14 0.00 0.02 0.00 0.00 55.36 57.49 2oqs s GLN 23 Cb 0.14 -1.85 -0.20 0.00 1.00 0.00 0.00 33.01 32.10 2oqs s GLN 23 CO -0.06 -1.66 0.74 1.25 -2.12 0.00 0.00 175.29 173.44 2oqs h HIS 24 N 0.14 0.00 -2.95 0.91 -0.00 -1.83 -3.45 115.15 107.98 2oqs h HIS 24 Ca -0.49 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 59.67 2oqs h HIS 24 Cb 1.31 0.00 -0.31 0.00 -0.00 0.00 0.00 27.41 28.40 2oqs h HIS 24 CO 0.45 0.87 -0.52 0.42 -0.00 0.00 0.00 177.93 179.16 2oqs s ILE 25 N -2.70 -0.24 0.11 6.26 1.01 -1.26 -5.08 121.20 119.31 2oqs s ILE 25 Ca -0.04 0.23 -0.36 0.00 0.00 0.00 0.00 60.65 60.48 2oqs s ILE 25 Cb 0.08 -0.40 -0.16 0.00 0.01 0.00 0.00 42.46 41.99 2oqs s ILE 25 CO 0.82 0.09 1.42 -2.65 0.00 0.00 0.00 174.94 174.62 2oqs n PRO 26 N 4.84 1.47 0.00 2.79 -0.02 -1.26 -2.29 135.00 140.52 2oqs n PRO 26 Ca -0.15 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2oqs n PRO 26 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.81 2.79 3.48 -1.23 0.00 -1.26 -4.97 105.19 106.81 2oqs n GLY 27 Ca 0.18 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 2oqs n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oqs s ASP 28 N 0.00 6.27 -0.06 1.61 -1.08 -0.97 -4.92 116.67 117.53 2oqs s ASP 28 Ca 0.00 -0.64 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 2oqs s ASP 28 Cb 0.00 -2.33 0.22 0.00 -1.46 0.00 0.00 42.92 39.36 2oqs s ASP 28 CO 0.00 -0.93 0.89 0.59 0.52 0.00 0.00 175.17 176.24 2oqs n ASN 29 N 6.47 2.17 -4.89 -0.34 3.02 -1.26 -4.22 115.26 116.20 2oqs n ASN 29 Ca -0.03 -2.23 -0.29 0.00 -0.03 0.00 0.00 54.58 52.00 2oqs n ASN 29 Cb 0.46 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2oqs s SER 30 N -0.32 6.35 -0.01 6.41 0.01 -1.26 -2.83 113.70 122.04 2oqs s SER 30 Ca 0.15 1.06 -0.30 0.00 1.31 0.00 0.00 55.95 58.17 2oqs s SER 30 Cb 0.11 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2oqs s SER 30 CO 0.05 -0.56 1.21 -0.63 0.41 0.00 0.00 173.24 173.73 2oqs s ILE 31 N -2.67 4.14 0.12 1.44 -1.09 -0.96 -4.59 121.20 117.60 2oqs s ILE 31 Ca 0.50 1.50 0.10 0.00 -2.23 0.00 0.00 60.65 60.52 2oqs s ILE 31 Cb -0.10 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2oqs s ILE 31 CO 0.41 0.04 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.62 2oqs s TYR 32 N 1.83 2.06 -0.27 3.97 1.51 -0.83 0.14 117.35 125.76 2oqs s TYR 32 Ca 0.57 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.96 2oqs s TYR 32 Cb -0.27 -1.11 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2oqs s TYR 32 CO 0.25 0.29 0.98 0.08 -1.11 0.00 0.00 175.55 176.04 2oqs s VAL 33 N -1.20 4.66 -0.16 0.71 1.01 -1.21 -0.39 120.40 123.83 2oqs s VAL 33 Ca 0.11 1.75 0.19 0.00 0.00 0.00 0.00 61.98 64.03 2oqs s VAL 33 Cb -0.10 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 2oqs s VAL 33 CO 0.06 -0.27 0.91 0.00 0.00 0.00 0.00 175.10 175.80 2oqs h THR 34 N 5.56 0.32 -1.78 3.92 1.03 -1.80 -3.32 112.91 116.83 2oqs h THR 34 Ca -0.21 -1.63 0.07 0.00 -0.01 0.00 0.00 66.41 64.64 2oqs h THR 34 Cb 1.07 1.84 -0.23 0.00 -1.07 0.00 0.00 68.15 69.76 2oqs h THR 34 CO 0.97 0.18 0.11 -0.54 -0.01 0.00 0.00 175.52 176.22 2oqs s LYS 35 N -3.09 0.56 -0.18 0.00 1.02 -1.26 -4.98 119.74 111.82 2oqs s LYS 35 Ca -0.02 1.07 -0.06 0.00 0.02 0.00 0.00 55.97 56.99 2oqs s LYS 35 Cb 0.09 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.65 2oqs s LYS 35 CO 0.80 -0.14 0.02 0.42 -0.92 0.00 0.00 175.35 175.53 2oqs s ILE 36 N 1.87 4.28 0.38 2.17 1.01 -1.26 0.55 121.20 130.18 2oqs s ILE 36 Ca -0.08 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 2oqs s ILE 36 Cb -0.06 -2.92 -0.10 0.00 0.01 0.00 0.00 42.46 39.40 2oqs s ILE 36 CO -0.18 0.46 0.83 -0.63 0.00 0.00 0.00 174.94 175.42 2oqs s ILE 37 N 0.57 4.56 0.65 2.92 1.09 0.20 -4.97 121.20 126.22 2oqs s ILE 37 Ca 0.00 1.18 -0.18 0.00 -1.10 0.00 0.00 60.65 60.55 2oqs s ILE 37 Cb -0.14 -3.61 -0.01 0.00 -1.06 0.00 0.00 42.46 37.64 2oqs s ILE 37 CO 0.02 -0.26 1.28 -0.62 -0.10 0.00 0.00 174.94 175.25 2oqs n GLU 38 N -0.54 1.10 -1.36 2.79 4.71 -1.26 -2.41 120.64 123.68 2oqs n GLU 38 Ca 0.05 0.43 -0.14 0.00 -0.01 0.00 0.00 57.16 57.50 2oqs n GLU 38 Cb 0.54 -2.52 -0.06 0.00 -1.01 0.00 0.00 31.44 28.39 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2oqs n GLY 39 N 0.94 1.29 3.92 0.62 0.00 -1.26 -4.95 105.19 105.76 2oqs n GLY 39 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.21 1.67 0.16 -0.02 0.00 -1.01 -4.76 107.32 101.15 2oqs s GLY 40 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 44.72 43.65 2oqs s GLY 40 CO 0.00 -0.45 1.61 0.00 0.00 0.00 0.00 173.10 174.27 2oqs h ALA 41 N -0.63 -0.09 0.13 3.20 0.00 -0.85 0.43 119.26 121.45 2oqs h ALA 41 Ca -0.45 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2oqs h ALA 41 Cb 1.31 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2oqs h ALA 41 CO 0.61 -0.67 -0.06 0.00 0.00 0.00 0.00 179.25 179.13 2oqs h ALA 42 N 0.87 -0.18 -0.90 0.00 0.00 -1.89 -0.97 119.26 116.18 2oqs h ALA 42 Ca 0.17 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.03 2oqs h ALA 42 Cb 0.49 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 42 CO -0.48 -0.38 0.50 1.25 0.00 0.00 0.00 179.25 180.13 2oqs h HIS 43 N -0.62 0.88 0.07 0.00 6.17 -1.74 0.12 115.15 120.03 2oqs h HIS 43 Ca -0.02 0.03 -0.28 0.00 0.71 0.00 0.00 60.37 60.82 2oqs h HIS 43 Cb 0.47 -0.25 0.02 0.00 2.52 0.00 0.00 27.41 30.17 2oqs h HIS 43 CO 0.06 0.22 -1.14 0.87 0.71 0.00 0.00 177.93 178.65 2oqs h LYS 44 N 0.69 0.58 0.44 5.26 1.79 -0.18 -3.35 116.57 121.81 2oqs h LYS 44 Ca 0.50 -0.72 -0.02 0.00 -2.18 0.00 0.00 60.65 58.23 2oqs h LYS 44 Cb 0.71 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2oqs h LYS 44 CO -0.36 1.31 -0.21 0.22 -1.08 0.00 0.00 179.45 179.32 2oqs h ASP 45 N 0.28 -0.50 0.00 0.86 3.58 -0.43 -3.48 116.42 116.74 2oqs h ASP 45 Ca -0.15 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2oqs h ASP 45 Cb 1.81 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.99 2oqs h ASP 45 CO 0.21 -0.19 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 2oqs n GLY 46 N -0.67 2.78 0.26 -0.78 0.00 0.34 -4.90 105.19 102.21 2oqs n GLY 46 Ca -0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 2oqs n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oqs h LYS 47 N 0.00 0.82 -5.70 1.61 6.56 -1.93 -3.40 116.57 114.53 2oqs h LYS 47 Ca 0.00 -0.05 -0.58 0.00 -1.06 0.00 0.00 60.65 58.96 2oqs h LYS 47 Cb 0.00 -0.19 -0.09 0.00 -0.57 0.00 0.00 32.23 31.39 2oqs h LYS 47 CO 0.00 0.54 -0.01 -1.17 -2.06 0.00 0.00 179.45 176.75 2oqs s LEU 48 N -10.16 4.21 -0.01 2.94 0.20 -1.26 -5.06 118.68 109.53 2oqs s LEU 48 Ca -0.13 0.83 -0.06 0.00 0.69 0.00 0.00 54.13 55.46 2oqs s LEU 48 Cb 0.14 -2.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.10 2oqs s LEU 48 CO 0.76 -0.14 0.14 0.00 -0.29 0.00 0.00 176.35 176.82 2oqs s GLN 49 N 1.26 0.39 0.09 1.98 0.00 -1.26 -4.54 119.66 117.58 2oqs s GLN 49 Ca 0.28 -0.23 -0.28 0.00 -0.00 0.00 0.00 55.36 55.13 2oqs s GLN 49 Cb -0.16 0.16 -0.15 0.00 0.00 0.00 0.00 33.01 32.86 2oqs s GLN 49 CO 0.11 -0.09 0.64 -0.89 0.00 0.00 0.00 175.29 175.06 2oqs n ILE 50 N 1.91 0.95 0.00 3.63 -0.00 -1.26 -2.09 119.36 122.49 2oqs n ILE 50 Ca -0.20 -0.24 0.00 0.00 -0.00 0.00 0.00 62.75 62.32 2oqs n ILE 50 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.20 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2oqs n GLY 51 N 1.49 1.50 3.81 7.39 0.00 -1.25 -5.04 105.19 113.09 2oqs n GLY 51 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.67 7.03 0.05 1.61 1.47 -0.89 -4.94 116.67 119.33 2oqs s ASP 52 Ca 0.00 1.71 0.02 0.00 1.18 0.00 0.00 52.55 55.46 2oqs s ASP 52 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2oqs s ASP 52 CO 0.00 -0.28 0.05 -1.59 0.68 0.00 0.00 175.17 174.03 2oqs s LYS 53 N -2.90 2.83 -0.51 2.11 0.00 -1.24 -3.30 119.74 116.72 2oqs s LYS 53 Ca 0.59 -0.67 -0.19 0.00 0.00 0.00 0.00 55.97 55.70 2oqs s LYS 53 Cb -0.11 -2.70 0.07 0.00 0.00 0.00 0.00 37.83 35.08 2oqs s LYS 53 CO 0.16 0.59 0.60 -1.17 0.00 0.00 0.00 175.35 175.53 2oqs s LEU 54 N -2.08 5.13 0.00 2.77 0.20 0.38 -0.98 118.68 124.10 2oqs s LEU 54 Ca 0.25 -1.05 -0.25 0.00 0.69 0.00 0.00 54.13 53.78 2oqs s LEU 54 Cb -0.12 -2.39 -0.17 0.00 -0.43 0.00 0.00 46.19 43.08 2oqs s LEU 54 CO 0.17 -0.89 1.25 0.25 -0.29 0.00 0.00 176.35 176.85 2oqs h LEU 55 N 9.60 -0.23 -7.26 -0.68 6.46 0.17 -3.31 115.31 120.06 2oqs h LEU 55 Ca -0.28 -0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.25 2oqs h LEU 55 Cb 1.10 0.06 -0.11 0.00 -0.73 0.00 0.00 40.66 40.98 2oqs h LEU 55 CO 0.97 0.15 0.25 0.00 -0.62 0.00 0.00 178.44 179.20 2oqs s ALA 56 N -4.70 -1.53 -0.19 1.25 0.00 0.21 -0.77 121.76 116.03 2oqs s ALA 56 Ca -0.14 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 2oqs s ALA 56 Cb 0.02 0.82 0.09 0.00 0.00 0.00 0.00 23.12 24.06 2oqs s ALA 56 CO 0.58 -0.84 0.37 0.14 0.00 0.00 0.00 175.76 176.02 2oqs s VAL 57 N -3.71 -0.58 -0.85 0.00 -7.23 0.26 0.86 120.40 109.15 2oqs s VAL 57 Ca 0.04 0.15 -0.03 0.00 -1.81 0.00 0.00 61.98 60.33 2oqs s VAL 57 Cb -0.02 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 2oqs s VAL 57 CO -0.07 0.04 0.74 0.59 -0.31 0.00 0.00 175.10 176.09 2oqs n ASN 58 N 5.38 -6.93 0.00 4.85 3.02 -1.17 -2.59 115.26 117.82 2oqs n ASN 58 Ca -0.07 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2oqs n ASN 58 Cb 0.50 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 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 -2.25 0.00 -4.85 6.41 2.85 -1.26 -4.94 115.26 111.22 2oqs n ASN 59 Ca -0.07 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.03 2oqs n ASN 59 Cb 0.56 -0.32 -0.06 0.00 1.24 0.00 0.00 39.78 41.20 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2oqs s VAL 60 N -0.24 5.17 0.11 3.44 -7.23 -1.07 -5.07 120.40 115.51 2oqs s VAL 60 Ca 0.00 0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 60.54 2oqs s VAL 60 Cb 0.00 -3.62 -0.06 0.00 0.56 0.00 0.00 36.38 33.26 2oqs s VAL 60 CO 0.00 0.59 0.86 0.00 -0.31 0.00 0.00 175.10 176.23 2oqs n LEU 62 N 2.43 5.48 -0.05 0.00 7.94 0.05 -4.40 117.00 128.46 2oqs n LEU 62 Ca -0.01 -3.13 0.02 0.00 -1.11 0.00 0.00 56.01 51.78 2oqs n LEU 62 Cb 0.49 -0.69 -0.16 0.00 0.53 0.00 0.00 43.42 43.59 2oqs n LEU 62 CO 0.49 0.76 -0.92 -0.62 -1.11 0.00 0.00 177.39 175.98 2oqs n GLU 63 N -0.04 0.68 -3.10 1.96 1.02 -1.24 -2.25 120.64 117.66 2oqs n GLU 63 Ca 0.33 -0.12 -0.24 0.00 -0.02 0.00 0.00 57.16 57.11 2oqs n GLU 63 Cb 1.22 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 31.08 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2oqs n GLU 64 N -2.46 2.16 -3.76 3.49 1.02 -1.26 -4.04 120.64 115.79 2oqs n GLU 64 Ca -0.16 -4.19 -0.13 0.00 -0.02 0.00 0.00 57.16 52.66 2oqs n GLU 64 Cb 0.81 -1.97 -0.08 0.00 -0.02 0.00 0.00 31.44 30.18 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2oqs s VAL 65 N -3.25 0.07 1.01 2.62 -7.23 -1.26 -5.09 120.40 107.28 2oqs s VAL 65 Ca 0.44 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.92 2oqs s VAL 65 Cb 0.28 -0.76 0.20 0.00 0.56 0.00 0.00 36.38 36.66 2oqs s VAL 65 CO -0.10 -0.31 1.08 0.42 -0.31 0.00 0.00 175.10 175.87 2oqs s THR 66 N -1.86 2.23 0.32 5.32 -4.23 -1.26 -3.46 115.64 112.69 2oqs s THR 66 Ca -0.10 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2oqs s THR 66 Cb -0.03 -2.27 0.29 0.00 1.34 0.00 0.00 72.50 71.83 2oqs s THR 66 CO 0.01 -0.10 1.89 -0.74 -0.54 0.00 0.00 174.62 175.14 2oqs h HIS 67 N -2.08 0.98 -0.78 3.99 2.76 -0.66 -1.33 115.15 118.03 2oqs h HIS 67 Ca -0.53 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 57.79 2oqs h HIS 67 Cb 1.30 -0.32 -0.09 0.00 1.55 0.00 0.00 27.41 29.86 2oqs h HIS 67 CO 0.37 0.45 0.37 1.05 -1.30 0.00 0.00 177.93 178.88 2oqs h GLU 68 N 0.91 0.56 -0.46 5.26 4.11 -1.91 0.27 114.58 123.32 2oqs h GLU 68 Ca 0.42 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.77 2oqs h GLU 68 Cb 0.41 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2oqs h GLU 68 CO -0.19 0.37 0.07 0.93 0.07 0.00 0.00 179.01 180.27 2oqs h GLU 69 N 0.57 0.72 -0.82 1.06 3.07 -1.58 0.45 114.58 118.05 2oqs h GLU 69 Ca 0.41 -0.15 0.01 0.00 -0.50 0.00 0.00 59.36 59.13 2oqs h GLU 69 Cb 0.54 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 2oqs h GLU 69 CO -0.34 0.68 0.54 0.00 -1.40 0.00 0.00 179.01 178.50 2oqs h ALA 70 N 1.39 1.05 0.19 3.43 0.00 -0.72 0.74 119.26 125.34 2oqs h ALA 70 Ca 0.15 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.69 2oqs h ALA 70 Cb 0.32 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2oqs h ALA 70 CO 0.00 0.44 -1.42 0.28 0.00 0.00 0.00 179.25 178.55 2oqs h VAL 71 N 1.10 1.33 -0.26 0.00 2.07 -0.97 -2.86 116.25 116.66 2oqs h VAL 71 Ca 0.30 -2.84 -0.05 0.00 0.82 0.00 0.00 66.70 64.94 2oqs h VAL 71 Cb -0.11 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2oqs h VAL 71 CO -0.07 0.85 -0.03 0.74 0.02 0.00 0.00 177.57 179.07 2oqs h THR 72 N 0.11 1.18 0.16 2.57 2.02 0.13 0.25 112.91 119.34 2oqs h THR 72 Ca -0.22 -0.73 -0.29 0.00 0.77 0.00 0.00 66.41 65.94 2oqs h THR 72 Cb 2.08 1.02 0.02 0.00 -1.74 0.00 0.00 68.15 69.53 2oqs h THR 72 CO 0.23 0.24 -1.30 0.00 0.37 0.00 0.00 175.52 175.07 2oqs h ALA 73 N 1.58 0.03 -0.08 6.16 0.00 -0.94 -1.56 119.26 124.46 2oqs h ALA 73 Ca 0.09 -0.86 -0.17 0.00 0.00 0.00 0.00 54.91 53.96 2oqs h ALA 73 Cb 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2oqs h ALA 73 CO 0.01 0.87 -0.67 -0.07 0.00 0.00 0.00 179.25 179.40 2oqs h LEU 74 N 0.11 0.38 0.00 0.00 -0.00 -1.25 -3.11 115.31 111.44 2oqs h LEU 74 Ca -0.17 -0.23 -0.09 0.00 -0.00 0.00 0.00 57.88 57.39 2oqs h LEU 74 Cb 2.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 42.54 2oqs h LEU 74 CO 0.22 0.94 -0.44 0.07 -0.00 0.00 0.00 178.44 179.24 2oqs h LYS 75 N 0.23 0.00 -3.54 1.13 2.10 -0.56 -3.38 116.57 112.55 2oqs h LYS 75 Ca -0.02 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 57.92 2oqs h LYS 75 Cb 1.21 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.50 2oqs h LYS 75 CO 0.11 0.42 3.08 -1.71 -2.00 0.00 0.00 179.45 179.36 2oqs n ASN 76 N -3.20 5.68 -4.14 7.07 5.15 -0.59 -4.90 115.26 120.34 2oqs n ASN 76 Ca 0.02 -2.84 -0.27 0.00 -0.60 0.00 0.00 54.58 50.89 2oqs n ASN 76 Cb 0.71 -1.58 -0.16 0.00 -0.53 0.00 0.00 39.78 38.21 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 2.11 1.53 0.00 -0.44 -4.23 -1.26 -4.95 115.64 108.39 2oqs s THR 77 Ca 0.52 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 2oqs s THR 77 Cb 0.15 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.66 2oqs s THR 77 CO -0.07 0.44 0.00 -0.24 -0.54 0.00 0.00 174.62 174.21 2oqs n SER 78 N 3.29 0.00 -0.19 3.99 2.88 -1.26 -4.98 113.62 117.35 2oqs n SER 78 Ca -0.19 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.33 2oqs n SER 78 Cb 0.53 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.04 2oqs n SER 78 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2oqs h ASP 79 N 0.00 -0.52 -2.57 -3.46 5.19 -1.99 -3.41 116.42 109.66 2oqs h ASP 79 Ca 0.00 0.17 -0.62 0.00 -0.62 0.00 0.00 57.03 55.96 2oqs h ASP 79 Cb 0.00 0.35 -0.16 0.00 0.18 0.00 0.00 39.33 39.70 2oqs h ASP 79 CO 0.00 -0.19 -0.78 -0.36 -3.12 0.00 0.00 179.24 174.79 2oqs s PHE 80 N -6.23 2.29 -0.06 4.55 0.40 -1.26 -0.47 117.98 117.19 2oqs s PHE 80 Ca -0.14 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.82 2oqs s PHE 80 Cb 0.18 -1.04 0.04 0.00 0.51 0.00 0.00 43.02 42.71 2oqs s PHE 80 CO 0.73 0.64 0.12 0.54 0.70 0.00 0.00 175.22 177.94 2oqs s VAL 81 N -2.22 -0.15 -0.59 -0.44 0.11 -1.12 -4.89 120.40 111.10 2oqs s VAL 81 Ca 0.27 0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 59.47 2oqs s VAL 81 Cb -0.06 -0.22 0.14 0.00 -1.53 0.00 0.00 36.38 34.71 2oqs s VAL 81 CO 0.13 0.13 0.56 -0.47 -3.33 0.00 0.00 175.10 172.12 2oqs s TYR 82 N 1.83 3.31 0.03 1.54 6.14 -1.26 -2.69 117.35 126.25 2oqs s TYR 82 Ca -0.01 -1.37 -0.17 0.00 0.64 0.00 0.00 57.07 56.16 2oqs s TYR 82 Cb -0.12 -3.82 -0.06 0.00 0.42 0.00 0.00 41.96 38.38 2oqs s TYR 82 CO -0.05 -1.04 0.50 -1.17 0.64 0.00 0.00 175.55 174.43 2oqs s LEU 83 N 1.47 4.48 -0.24 6.97 2.96 -0.92 -3.03 118.68 130.38 2oqs s LEU 83 Ca 0.06 1.10 0.01 0.00 -0.22 0.00 0.00 54.13 55.09 2oqs s LEU 83 Cb -0.27 -2.76 0.04 0.00 0.50 0.00 0.00 46.19 43.71 2oqs s LEU 83 CO 0.01 0.27 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.65 2oqs s LYS 84 N -0.93 2.56 -0.09 1.98 1.02 0.25 0.74 119.74 125.27 2oqs s LYS 84 Ca 0.27 -1.13 0.04 0.00 0.02 0.00 0.00 55.97 55.17 2oqs s LYS 84 Cb -0.18 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.31 2oqs s LYS 84 CO 0.16 -0.44 -0.24 0.08 -0.92 0.00 0.00 175.35 173.99 2oqs s VAL 85 N 1.20 2.07 0.35 3.17 1.01 0.67 0.86 120.40 129.72 2oqs s VAL 85 Ca -0.03 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 2oqs s VAL 85 Cb -0.17 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 2oqs s VAL 85 CO -0.07 0.56 0.77 0.00 0.00 0.00 0.00 175.10 176.36 2oqs s ALA 86 N 0.26 3.28 -0.28 5.51 0.00 -0.15 -1.56 121.76 128.83 2oqs s ALA 86 Ca -0.17 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 2oqs s ALA 86 Cb -0.17 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 2oqs s ALA 86 CO 0.08 0.28 0.18 0.21 0.00 0.00 0.00 175.76 176.50 2oqs s LYS 87 N -3.08 3.92 0.12 0.00 2.20 -1.26 -3.71 119.74 117.92 2oqs s LYS 87 Ca 0.55 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 55.52 2oqs s LYS 87 Cb -0.10 -3.62 -0.07 0.00 -1.51 0.00 0.00 37.83 32.52 2oqs s LYS 87 CO 0.18 -0.18 1.30 -1.25 -0.36 0.00 0.00 175.35 175.03 2oqs s PRO 88 N 1.74 4.38 0.11 4.03 0.04 -1.26 -4.91 135.00 139.14 2oqs s PRO 88 Ca 0.07 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2oqs s PRO 88 Cb -0.16 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2oqs s PRO 88 CO 0.10 -0.32 0.00 2.41 0.04 0.00 0.00 177.00 179.23 2oqs n THR 89 N 3.59 0.40 0.00 1.26 -1.04 -1.26 -5.17 114.28 112.06 2oqs n THR 89 Ca 0.09 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 2oqs n THR 89 Cb 0.44 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 2oqs n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oqs n GLY 90 N 2.58 3.38 0.09 3.41 0.00 -1.26 -5.01 105.19 108.38 2oqs n GLY 90 Ca 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2oqs n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2oqs h SER 91 N 0.00 0.17 -0.01 1.61 0.02 -2.03 -3.57 113.55 109.74 2oqs h SER 91 Ca 0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2oqs h SER 91 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2oqs h SER 91 CO 0.00 0.61 0.00 1.41 -1.14 0.00 0.00 176.83 177.71