#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 1.34 -0.13 0.03 1.03 -1.26 -1.21 118.70 118.50 2oqs s GLU 2 Ca 0.00 -1.55 -0.04 0.00 0.03 0.00 0.00 54.97 53.41 2oqs s GLU 2 Cb 0.00 -1.24 0.07 0.00 -0.80 0.00 0.00 34.13 32.16 2oqs s GLU 2 CO 0.00 0.22 0.24 0.42 -1.33 0.00 0.00 175.26 174.81 2oqs s ILE 3 N -2.65 -0.37 0.08 1.83 1.09 0.10 -4.92 121.20 116.36 2oqs s ILE 3 Ca 0.21 0.23 0.09 0.00 -1.10 0.00 0.00 60.65 60.08 2oqs s ILE 3 Cb -0.03 -0.45 -0.04 0.00 -1.06 0.00 0.00 42.46 40.88 2oqs s ILE 3 CO 0.07 0.07 -0.20 -0.75 -0.10 0.00 0.00 174.94 174.04 2oqs s LYS 4 N 2.38 1.84 0.25 2.79 2.20 -1.26 -0.35 119.74 127.59 2oqs s LYS 4 Ca 0.03 -1.12 -0.11 0.00 -0.36 0.00 0.00 55.97 54.40 2oqs s LYS 4 Cb -0.13 -2.10 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 2oqs s LYS 4 CO -0.09 0.50 0.44 -0.51 -0.36 0.00 0.00 175.35 175.33 2oqs s LEU 5 N -1.77 0.45 -0.11 5.43 1.43 -1.03 -5.01 118.68 118.07 2oqs s LEU 5 Ca 0.15 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.16 2oqs s LEU 5 Cb -0.10 1.59 -0.04 0.00 0.03 0.00 0.00 46.19 47.66 2oqs s LEU 5 CO 0.07 -1.12 0.18 -0.51 0.23 0.00 0.00 176.35 175.21 2oqs s ILE 6 N -3.98 5.42 0.23 -0.59 2.07 -1.26 -2.61 121.20 120.49 2oqs s ILE 6 Ca 0.25 0.31 -0.32 0.00 -1.41 0.00 0.00 60.65 59.49 2oqs s ILE 6 Cb 0.00 -3.46 -0.13 0.00 0.13 0.00 0.00 42.46 39.01 2oqs s ILE 6 CO 0.10 0.60 1.54 1.17 -1.91 0.00 0.00 174.94 176.44 2oqs n LYS 7 N 2.08 2.34 0.00 3.50 3.00 -0.33 -4.98 118.16 123.77 2oqs n LYS 7 Ca -0.19 0.84 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 2oqs n LYS 7 Cb 0.54 -2.58 0.00 0.00 0.00 0.00 0.00 35.03 32.99 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 2.72 1.71 0.00 3.14 0.00 -1.26 -5.06 105.19 106.44 2oqs n GLY 8 Ca 0.13 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 0.00 0.09 1.61 -0.02 -1.26 -4.67 135.00 130.75 2oqs n PRO 9 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2oqs n PRO 9 Cb 0.00 -0.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.94 2oqs n PRO 9 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2oqs h LYS 10 N 0.00 -0.23 0.00 -0.52 1.79 -1.98 -3.50 116.57 112.13 2oqs h LYS 10 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2oqs h LYS 10 Cb 0.00 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2oqs h LYS 10 CO 0.00 -0.15 0.00 0.41 -1.08 0.00 0.00 179.45 178.63 2oqs n GLY 11 N -0.83 -0.99 0.09 3.86 0.00 -1.26 -5.03 105.19 101.03 2oqs n GLY 11 Ca -0.03 0.68 -0.16 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 -0.31 0.99 3.38 -1.96 -3.39 115.31 114.01 2oqs h LEU 12 Ca 0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 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 1.52 0.81 2.00 0.83 0.00 -1.26 0.53 105.19 109.63 2oqs n GLY 13 Ca -0.21 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.82 -1.69 -4.45 1.61 1.16 -1.26 0.71 117.46 110.71 2oqs n PHE 14 Ca 0.00 -1.01 -0.23 0.00 -1.87 0.00 0.00 57.45 54.34 2oqs n PHE 14 Cb 0.39 0.49 -0.09 0.00 -1.61 0.00 0.00 39.48 38.66 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 -2.11 2.33 0.27 5.98 1.04 0.18 -4.90 113.70 116.49 2oqs s SER 15 Ca 0.09 -1.54 -0.17 0.00 0.48 0.00 0.00 55.95 54.81 2oqs s SER 15 Cb -0.03 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.38 2oqs s SER 15 CO 0.07 -0.81 0.60 0.27 0.98 0.00 0.00 173.24 174.35 2oqs s ILE 16 N -3.35 0.00 0.16 -1.02 -0.00 -1.26 -2.33 121.20 113.41 2oqs s ILE 16 Ca 0.31 -1.20 0.02 0.00 -0.00 0.00 0.00 60.65 59.77 2oqs s ILE 16 Cb 0.05 -2.13 -0.05 0.00 -0.00 0.00 0.00 42.46 40.33 2oqs s ILE 16 CO 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 174.94 175.09 2oqs s ALA 17 N -3.91 1.30 0.00 2.27 0.00 0.90 -4.70 121.76 117.62 2oqs s ALA 17 Ca 0.17 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2oqs s ALA 17 Cb -0.03 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2oqs s ALA 17 CO 0.08 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2oqs n GLY 18 N -0.22 2.72 0.00 0.00 0.00 -0.66 -2.02 105.19 105.01 2oqs n GLY 18 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.22 2.54 3.75 -0.02 0.00 -1.14 -0.54 105.19 109.56 2oqs n GLY 19 Ca 0.00 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.65 2.48 0.00 1.61 1.01 -1.26 0.12 120.40 121.72 2oqs s VAL 20 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2oqs s VAL 20 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2oqs s VAL 20 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2oqs n GLY 21 N 1.71 3.05 1.08 4.51 0.00 -1.26 -4.64 105.19 109.65 2oqs n GLY 21 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 0.59 -4.82 1.61 0.23 -0.91 -5.12 115.26 106.84 2oqs n ASN 22 Ca 0.00 -2.00 -0.31 0.00 -0.53 0.00 0.00 54.58 51.74 2oqs n ASN 22 Cb 0.00 -0.26 0.06 0.00 -2.08 0.00 0.00 39.78 37.50 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oqs s GLN 23 N -0.00 2.81 0.07 -3.83 0.00 0.33 -1.66 119.66 117.38 2oqs s GLN 23 Ca 0.20 0.93 0.16 0.00 -0.00 0.00 0.00 55.36 56.65 2oqs s GLN 23 Cb 0.23 -1.98 -0.13 0.00 0.00 0.00 0.00 33.01 31.13 2oqs s GLN 23 CO -0.10 -1.18 0.85 1.25 0.00 0.00 0.00 175.29 176.11 2oqs h HIS 24 N -0.78 0.00 -3.10 9.60 -0.00 -1.81 -3.43 115.15 115.64 2oqs h HIS 24 Ca -0.44 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 59.73 2oqs h HIS 24 Cb 1.22 0.00 -0.29 0.00 -0.00 0.00 0.00 27.41 28.34 2oqs h HIS 24 CO 0.60 0.60 -0.49 0.42 -0.00 0.00 0.00 177.93 179.06 2oqs s ILE 25 N -2.90 -0.03 0.12 6.26 1.01 -1.26 -5.06 121.20 119.34 2oqs s ILE 25 Ca -0.03 0.11 -0.34 0.00 0.00 0.00 0.00 60.65 60.40 2oqs s ILE 25 Cb 0.09 -0.34 -0.13 0.00 0.01 0.00 0.00 42.46 42.08 2oqs s ILE 25 CO 0.81 0.05 1.66 -0.81 0.00 0.00 0.00 174.94 176.64 2oqs n PRO 26 N 3.89 2.26 0.00 2.79 -0.04 -1.26 -2.56 135.00 140.08 2oqs n PRO 26 Ca -0.22 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 2oqs n PRO 26 Cb 0.54 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2oqs n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oqs n GLY 27 N 3.68 2.58 3.50 0.55 0.00 -1.26 -4.96 105.19 109.28 2oqs n GLY 27 Ca 0.18 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 6.30 -0.07 1.61 -1.08 -1.06 -4.91 116.67 117.47 2oqs s ASP 28 Ca 0.00 -0.53 0.06 0.00 -0.52 0.00 0.00 52.55 51.56 2oqs s ASP 28 Cb 0.00 -2.39 0.28 0.00 -1.46 0.00 0.00 42.92 39.36 2oqs s ASP 28 CO 0.00 -1.10 1.00 -0.46 0.52 0.00 0.00 175.17 175.13 2oqs n ASN 29 N 7.01 2.41 -4.86 -0.34 6.94 -1.26 -4.05 115.26 121.11 2oqs n ASN 29 Ca -0.01 -2.26 -0.31 0.00 -0.02 0.00 0.00 54.58 51.98 2oqs n ASN 29 Cb 0.47 -0.48 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2oqs s SER 30 N -0.44 6.50 -0.05 0.53 0.01 -1.26 -2.86 113.70 116.13 2oqs s SER 30 Ca 0.19 1.34 -0.30 0.00 1.31 0.00 0.00 55.95 58.49 2oqs s SER 30 Cb 0.14 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2oqs s SER 30 CO 0.07 -0.56 1.26 -0.63 0.41 0.00 0.00 173.24 173.79 2oqs s ILE 31 N -2.63 4.11 0.12 1.44 -1.09 -1.10 -4.60 121.20 117.45 2oqs s ILE 31 Ca 0.55 1.44 0.11 0.00 -2.23 0.00 0.00 60.65 60.52 2oqs s ILE 31 Cb -0.10 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2oqs s ILE 31 CO 0.36 -0.01 -0.27 -0.31 -1.23 0.00 0.00 174.94 173.48 2oqs s TYR 32 N 2.34 2.31 -0.06 3.97 1.51 -0.86 0.84 117.35 127.40 2oqs s TYR 32 Ca 0.58 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.96 2oqs s TYR 32 Cb -0.26 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 2oqs s TYR 32 CO 0.23 0.32 1.09 0.08 -1.11 0.00 0.00 175.55 176.16 2oqs s VAL 33 N -1.04 4.53 -0.15 0.71 1.01 -1.21 -0.07 120.40 124.19 2oqs s VAL 33 Ca 0.14 1.82 0.17 0.00 0.00 0.00 0.00 61.98 64.11 2oqs s VAL 33 Cb -0.10 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 2oqs s VAL 33 CO 0.06 0.03 0.26 0.35 0.00 0.00 0.00 175.10 175.80 2oqs n THR 34 N 4.46 1.35 -3.64 3.92 -2.24 -0.98 -3.66 114.28 113.49 2oqs n THR 34 Ca 0.09 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 61.02 2oqs n THR 34 Cb 0.48 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.59 0.62 -0.25 -0.78 1.02 -1.26 -4.97 119.74 111.53 2oqs s LYS 35 Ca -0.08 1.30 -0.10 0.00 0.02 0.00 0.00 55.97 57.11 2oqs s LYS 35 Cb 0.07 0.50 -0.04 0.00 -0.52 0.00 0.00 37.83 37.84 2oqs s LYS 35 CO 0.83 -0.17 0.14 0.42 -0.92 0.00 0.00 175.35 175.65 2oqs s ILE 36 N 2.26 5.00 0.43 2.17 1.01 -1.26 0.47 121.20 131.28 2oqs s ILE 36 Ca -0.08 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 2oqs s ILE 36 Cb -0.08 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 2oqs s ILE 36 CO -0.19 0.32 0.97 -0.63 0.00 0.00 0.00 174.94 175.40 2oqs s ILE 37 N 1.40 4.24 0.58 2.92 1.09 0.22 -4.96 121.20 126.70 2oqs s ILE 37 Ca 0.06 1.45 -0.20 0.00 -1.10 0.00 0.00 60.65 60.87 2oqs s ILE 37 Cb -0.15 -3.62 -0.03 0.00 -1.06 0.00 0.00 42.46 37.60 2oqs s ILE 37 CO 0.06 -0.25 1.29 -1.61 -0.10 0.00 0.00 174.94 174.34 2oqs s GLU 38 N -3.04 2.95 -1.73 2.79 2.02 -1.26 -2.55 118.70 117.88 2oqs s GLU 38 Ca 0.61 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.66 2oqs s GLU 38 Cb -0.12 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2oqs s GLU 38 CO 0.16 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.56 2oqs n GLY 39 N 0.71 1.55 3.93 -1.39 0.00 -1.26 -4.97 105.19 103.77 2oqs n GLY 39 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.59 1.66 0.18 -0.02 0.00 -1.06 -4.78 107.32 100.70 2oqs s GLY 40 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 43.64 2oqs s GLY 40 CO 0.00 -0.58 1.61 0.00 0.00 0.00 0.00 173.10 174.13 2oqs h ALA 41 N -0.22 0.07 0.09 3.20 0.00 -0.12 0.42 119.26 122.70 2oqs h ALA 41 Ca -0.45 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2oqs h ALA 41 Cb 1.28 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2oqs h ALA 41 CO 0.59 -0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.20 2oqs h ALA 42 N 1.12 -0.12 -0.67 0.00 0.00 -1.88 -1.66 119.26 116.06 2oqs h ALA 42 Ca 0.22 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2oqs h ALA 42 Cb 0.49 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2oqs h ALA 42 CO -0.57 -0.34 0.22 1.25 0.00 0.00 0.00 179.25 179.81 2oqs h HIS 43 N -0.57 0.37 -0.19 0.00 6.17 -1.70 0.84 115.15 120.07 2oqs h HIS 43 Ca -0.01 0.04 -0.19 0.00 0.71 0.00 0.00 60.37 60.91 2oqs h HIS 43 Cb 0.47 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.34 2oqs h HIS 43 CO 0.07 0.03 -0.65 0.87 0.71 0.00 0.00 177.93 178.96 2oqs h LYS 44 N 0.36 0.70 0.39 5.26 1.57 -0.21 -3.32 116.57 121.32 2oqs h LYS 44 Ca 0.36 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2oqs h LYS 44 Cb 0.53 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2oqs h LYS 44 CO -0.39 1.12 -0.19 0.22 -0.57 0.00 0.00 179.45 179.64 2oqs h ASP 45 N 0.51 -0.44 0.00 0.86 3.58 -0.54 -3.48 116.42 116.91 2oqs h ASP 45 Ca -0.01 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2oqs h ASP 45 Cb 1.24 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2oqs h ASP 45 CO 0.13 -0.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 2oqs n GLY 46 N -0.50 2.69 0.27 -0.78 0.00 0.22 -4.91 105.19 102.18 2oqs n GLY 46 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 0.03 0.89 -5.65 1.61 1.57 -1.93 -3.40 116.57 109.70 2oqs h LYS 47 Ca 0.00 -0.15 -0.61 0.00 -1.87 0.00 0.00 60.65 58.02 2oqs h LYS 47 Cb 0.00 -0.15 -0.11 0.00 0.08 0.00 0.00 32.23 32.05 2oqs h LYS 47 CO 0.00 0.74 0.28 -1.17 -0.57 0.00 0.00 179.45 178.74 2oqs s LEU 48 N -9.80 4.11 0.03 2.94 0.20 -1.26 -5.04 118.68 109.86 2oqs s LEU 48 Ca -0.13 0.58 0.04 0.00 0.69 0.00 0.00 54.13 55.31 2oqs s LEU 48 Cb 0.13 -2.96 -0.02 0.00 -0.43 0.00 0.00 46.19 42.91 2oqs s LEU 48 CO 0.79 -0.54 -0.13 0.00 -0.29 0.00 0.00 176.35 176.18 2oqs s GLN 49 N 2.79 0.87 0.05 1.98 0.00 -1.26 -4.58 119.66 119.50 2oqs s GLN 49 Ca 0.29 -0.66 -0.38 0.00 -0.00 0.00 0.00 55.36 54.61 2oqs s GLN 49 Cb -0.15 -0.84 -0.19 0.00 0.00 0.00 0.00 33.01 31.83 2oqs s GLN 49 CO 0.12 0.21 1.07 -0.89 0.00 0.00 0.00 175.29 175.80 2oqs n ILE 50 N 2.07 0.27 0.00 3.63 -0.00 -1.26 -2.29 119.36 121.78 2oqs n ILE 50 Ca -0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 2oqs n ILE 50 Cb 0.55 -0.21 0.00 0.00 -0.00 0.00 0.00 39.64 39.98 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 1.78 2.49 3.77 7.39 0.00 -1.24 -5.02 105.19 114.35 2oqs n GLY 51 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.65 6.10 0.08 1.61 1.47 -0.97 -4.90 116.67 118.42 2oqs s ASP 52 Ca 0.00 2.24 0.04 0.00 1.18 0.00 0.00 52.55 56.01 2oqs s ASP 52 Cb 0.00 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 39.95 2oqs s ASP 52 CO 0.00 -0.96 0.03 -1.59 0.68 0.00 0.00 175.17 173.33 2oqs s LYS 53 N -2.86 2.70 -0.19 2.11 0.00 -1.26 -3.28 119.74 116.96 2oqs s LYS 53 Ca 0.66 -0.76 -0.07 0.00 0.00 0.00 0.00 55.97 55.80 2oqs s LYS 53 Cb -0.26 -2.63 -0.04 0.00 0.00 0.00 0.00 37.83 34.90 2oqs s LYS 53 CO 0.32 0.56 0.06 -1.17 0.00 0.00 0.00 175.35 175.11 2oqs s LEU 54 N -2.29 3.70 -0.21 2.77 0.20 0.25 -4.06 118.68 119.04 2oqs s LEU 54 Ca 0.27 0.01 -0.16 0.00 0.69 0.00 0.00 54.13 54.93 2oqs s LEU 54 Cb -0.12 -1.94 -0.11 0.00 -0.43 0.00 0.00 46.19 43.58 2oqs s LEU 54 CO 0.19 0.13 -0.14 -0.11 -0.29 0.00 0.00 176.35 176.14 2oqs n LEU 55 N 3.83 1.89 -3.76 -0.68 -0.00 0.34 -3.83 117.00 114.79 2oqs n LEU 55 Ca -0.16 0.43 -0.10 0.00 -0.00 0.00 0.00 56.01 56.17 2oqs n LEU 55 Cb 0.52 -0.86 -0.06 0.00 -0.00 0.00 0.00 43.42 43.01 2oqs n LEU 55 CO 0.34 0.11 0.02 0.00 -0.00 0.00 0.00 177.39 177.86 2oqs s ALA 56 N -2.58 -0.56 -0.16 1.96 0.00 0.11 -0.17 121.76 120.36 2oqs s ALA 56 Ca -0.29 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2oqs s ALA 56 Cb 0.07 0.52 0.05 0.00 0.00 0.00 0.00 23.12 23.76 2oqs s ALA 56 CO 0.46 -0.53 0.03 0.08 0.00 0.00 0.00 175.76 175.80 2oqs s VAL 57 N -3.56 0.39 -1.44 0.00 1.01 0.48 0.11 120.40 117.39 2oqs s VAL 57 Ca 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2oqs s VAL 57 Cb 0.03 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.60 2oqs s VAL 57 CO -0.10 -0.09 0.97 0.59 0.00 0.00 0.00 175.10 176.48 2oqs n ASN 58 N 5.11 -6.22 0.00 3.32 3.02 -0.85 -1.75 115.26 117.89 2oqs n ASN 58 Ca -0.08 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 2oqs n ASN 58 Cb 0.48 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.71 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 -2.83 0.00 -4.80 6.41 2.85 -1.26 -5.04 115.26 110.59 2oqs n ASN 59 Ca -0.03 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.05 2oqs n ASN 59 Cb 0.58 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.54 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 -2.11 4.58 -0.04 3.44 -7.23 -0.72 -5.04 120.40 113.29 2oqs s VAL 60 Ca 0.00 1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 61.28 2oqs s VAL 60 Cb 0.00 -3.98 -0.03 0.00 0.56 0.00 0.00 36.38 32.93 2oqs s VAL 60 CO 0.00 0.51 0.95 0.00 -0.31 0.00 0.00 175.10 176.25 2oqs n LEU 62 N 4.20 5.32 -0.03 0.00 7.94 0.76 -4.37 117.00 130.82 2oqs n LEU 62 Ca 0.06 -3.03 0.05 0.00 -1.11 0.00 0.00 56.01 51.97 2oqs n LEU 62 Cb 0.50 -0.66 -0.14 0.00 0.53 0.00 0.00 43.42 43.65 2oqs n LEU 62 CO 0.51 0.69 -0.80 -1.84 -1.11 0.00 0.00 177.39 174.84 2oqs n GLU 63 N 0.15 0.72 -2.74 1.96 0.28 -1.21 -2.70 120.64 117.09 2oqs n GLU 63 Ca 0.29 -0.13 -0.20 0.00 -0.16 0.00 0.00 57.16 56.96 2oqs n GLU 63 Cb 1.16 -1.44 -0.00 0.00 1.43 0.00 0.00 31.44 32.58 2oqs n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2oqs n GLU 64 N -2.27 2.30 -3.94 3.44 0.00 -1.26 -4.16 120.64 114.76 2oqs n GLU 64 Ca -0.09 -4.02 -0.09 0.00 0.00 0.00 0.00 57.16 52.96 2oqs n GLU 64 Cb 0.63 -1.86 -0.10 0.00 0.00 0.00 0.00 31.44 30.11 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2oqs s VAL 65 N -4.10 0.13 0.92 6.31 -7.23 -1.26 -5.10 120.40 110.07 2oqs s VAL 65 Ca 0.41 -1.04 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 2oqs s VAL 65 Cb 0.39 -0.75 0.15 0.00 0.56 0.00 0.00 36.38 36.72 2oqs s VAL 65 CO -0.09 -0.57 1.12 -0.89 -0.31 0.00 0.00 175.10 174.35 2oqs s THR 66 N -2.30 2.30 0.36 5.32 2.01 -1.26 -3.78 115.64 118.29 2oqs s THR 66 Ca -0.08 0.10 0.11 0.00 0.31 0.00 0.00 61.69 62.13 2oqs s THR 66 Cb -0.03 -2.23 0.34 0.00 0.01 0.00 0.00 72.50 70.58 2oqs s THR 66 CO -0.03 -0.13 1.82 -0.74 -0.69 0.00 0.00 174.62 174.85 2oqs h HIS 67 N -1.83 0.83 -0.61 4.92 2.76 -1.14 -0.44 115.15 119.64 2oqs h HIS 67 Ca -0.46 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 57.86 2oqs h HIS 67 Cb 1.27 -0.25 -0.09 0.00 1.55 0.00 0.00 27.41 29.88 2oqs h HIS 67 CO 0.48 0.22 0.08 0.93 -1.30 0.00 0.00 177.93 178.34 2oqs h GLU 68 N 0.63 0.19 -0.49 5.26 5.08 -1.90 0.11 114.58 123.46 2oqs h GLU 68 Ca 0.52 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.83 2oqs h GLU 68 Cb 0.97 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2oqs h GLU 68 CO -0.27 0.13 0.18 0.93 -1.00 0.00 0.00 179.01 178.98 2oqs h GLU 69 N 0.20 0.70 -0.77 2.33 4.39 -1.41 0.37 114.58 120.40 2oqs h GLU 69 Ca 0.32 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2oqs h GLU 69 Cb 0.50 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2oqs h GLU 69 CO -0.45 0.59 0.48 0.00 -1.16 0.00 0.00 179.01 178.47 2oqs h ALA 70 N 1.51 0.98 0.21 3.43 0.00 -0.59 -0.24 119.26 124.56 2oqs h ALA 70 Ca 0.17 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 2oqs h ALA 70 Cb 0.16 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 17.67 2oqs h ALA 70 CO -0.01 0.42 -1.42 0.28 0.00 0.00 0.00 179.25 178.52 2oqs h VAL 71 N 1.05 1.34 -0.16 0.00 2.07 -0.75 -2.90 116.25 116.89 2oqs h VAL 71 Ca 0.28 -2.82 -0.05 0.00 0.82 0.00 0.00 66.70 64.93 2oqs h VAL 71 Cb -0.07 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2oqs h VAL 71 CO -0.06 0.84 -0.13 0.74 0.02 0.00 0.00 177.57 178.98 2oqs h THR 72 N 0.12 1.18 0.16 2.57 2.02 -0.09 0.36 112.91 119.23 2oqs h THR 72 Ca -0.22 -0.80 -0.30 0.00 0.77 0.00 0.00 66.41 65.86 2oqs h THR 72 Cb 2.11 1.21 0.01 0.00 -1.74 0.00 0.00 68.15 69.74 2oqs h THR 72 CO 0.25 0.25 -1.38 0.00 0.37 0.00 0.00 175.52 175.01 2oqs h ALA 73 N 1.64 0.06 -0.01 6.16 0.00 -1.12 -2.25 119.26 123.74 2oqs h ALA 73 Ca 0.05 -0.93 -0.22 0.00 0.00 0.00 0.00 54.91 53.81 2oqs h ALA 73 Cb 0.38 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2oqs h ALA 73 CO 0.02 0.94 -0.92 -0.07 0.00 0.00 0.00 179.25 179.22 2oqs h LEU 74 N 0.09 0.54 -0.72 0.00 -0.00 -1.32 -3.22 115.31 110.68 2oqs h LEU 74 Ca -0.19 -0.42 -0.13 0.00 -0.00 0.00 0.00 57.88 57.14 2oqs h LEU 74 Cb 2.04 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 42.52 2oqs h LEU 74 CO 0.21 1.21 -0.61 0.50 -0.00 0.00 0.00 178.44 179.76 2oqs h LYS 75 N 0.24 0.00 -5.19 1.13 3.64 -0.38 -3.39 116.57 112.63 2oqs h LYS 75 Ca -0.07 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.74 2oqs h LYS 75 Cb 1.55 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.33 2oqs h LYS 75 CO 0.16 0.61 2.00 -1.71 -2.27 0.00 0.00 179.45 178.23 2oqs n ASN 76 N -3.71 3.72 -4.18 4.20 4.05 -0.84 -4.89 115.26 113.61 2oqs n ASN 76 Ca -0.01 -2.79 -0.24 0.00 0.45 0.00 0.00 54.58 51.99 2oqs n ASN 76 Cb 0.63 -1.62 -0.15 0.00 1.23 0.00 0.00 39.78 39.87 2oqs n ASN 76 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2oqs s THR 77 N 6.46 1.40 0.00 -0.44 -1.32 -1.26 -4.99 115.64 115.49 2oqs s THR 77 Ca 0.58 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 2oqs s THR 77 Cb 0.06 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 2oqs s THR 77 CO 0.08 0.31 0.00 -1.20 -2.21 0.00 0.00 174.62 171.60 2oqs n SER 78 N 2.41 0.00 -0.10 8.08 7.64 -1.26 -5.03 113.62 125.36 2oqs n SER 78 Ca -0.16 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.60 2oqs n SER 78 Cb 0.54 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.00 1.94 -4.55 6.43 9.92 -1.26 -4.80 116.55 123.22 2oqs n ASP 79 Ca 0.00 0.35 -0.26 0.00 -0.53 0.00 0.00 54.79 54.35 2oqs n ASP 79 Cb 0.00 -0.76 -0.11 0.00 -0.64 0.00 0.00 41.12 39.61 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2oqs s PHE 80 N -2.80 2.31 0.01 1.24 0.40 -1.26 -1.18 117.98 116.70 2oqs s PHE 80 Ca -0.30 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.27 2oqs s PHE 80 Cb 0.06 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 2oqs s PHE 80 CO 0.43 0.31 -0.01 0.08 0.70 0.00 0.00 175.22 176.72 2oqs s VAL 81 N -2.91 0.06 -0.33 -0.44 1.01 -1.07 -4.91 120.40 111.81 2oqs s VAL 81 Ca 0.35 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2oqs s VAL 81 Cb 0.09 -0.13 0.11 0.00 0.00 0.00 0.00 36.38 36.45 2oqs s VAL 81 CO 0.17 -0.20 0.11 -0.47 0.00 0.00 0.00 175.10 174.71 2oqs s TYR 82 N -0.61 2.02 -0.13 5.22 6.14 -1.26 -2.47 117.35 126.26 2oqs s TYR 82 Ca -0.07 -2.01 -0.17 0.00 0.64 0.00 0.00 57.07 55.47 2oqs s TYR 82 Cb -0.04 -1.90 -0.04 0.00 0.42 0.00 0.00 41.96 40.39 2oqs s TYR 82 CO -0.00 -0.87 0.42 -1.17 0.64 0.00 0.00 175.55 174.56 2oqs s LEU 83 N 1.34 4.27 -0.34 6.97 2.96 0.53 -2.00 118.68 132.41 2oqs s LEU 83 Ca 0.11 0.73 -0.07 0.00 -0.22 0.00 0.00 54.13 54.67 2oqs s LEU 83 Cb -0.19 -2.60 0.03 0.00 0.50 0.00 0.00 46.19 43.94 2oqs s LEU 83 CO -0.19 0.03 0.12 -0.54 -1.32 0.00 0.00 176.35 174.45 2oqs s LYS 84 N 0.56 2.76 -0.19 1.98 -0.14 0.30 0.01 119.74 125.02 2oqs s LYS 84 Ca 0.23 -1.09 -0.03 0.00 -1.36 0.00 0.00 55.97 53.72 2oqs s LYS 84 Cb -0.14 -3.50 -0.01 0.00 -1.68 0.00 0.00 37.83 32.50 2oqs s LYS 84 CO 0.08 -0.63 -0.08 0.08 -0.76 0.00 0.00 175.35 174.05 2oqs s VAL 85 N 1.45 3.23 -0.18 3.17 1.01 -0.35 0.13 120.40 128.85 2oqs s VAL 85 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2oqs s VAL 85 Cb -0.19 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2oqs s VAL 85 CO 0.04 0.46 -0.13 0.00 0.00 0.00 0.00 175.10 175.47 2oqs s ALA 86 N 1.13 2.56 -0.17 5.51 0.00 -1.26 -2.88 121.76 126.64 2oqs s ALA 86 Ca 0.01 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 2oqs s ALA 86 Cb -0.14 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 2oqs s ALA 86 CO -0.02 -0.26 1.57 0.15 0.00 0.00 0.00 175.76 177.20 2oqs s LYS 87 N 1.18 3.96 0.30 0.00 1.02 -1.26 -4.79 119.74 120.15 2oqs s LYS 87 Ca 0.02 1.78 -0.30 0.00 0.02 0.00 0.00 55.97 57.49 2oqs s LYS 87 Cb -0.14 -3.98 -0.11 0.00 -0.52 0.00 0.00 37.83 33.07 2oqs s LYS 87 CO -0.05 -1.09 1.61 -2.30 -0.92 0.00 0.00 175.35 172.59 2oqs n PRO 88 N 7.37 2.75 -3.74 -1.68 -0.02 -1.26 -5.02 135.00 133.39 2oqs n PRO 88 Ca 0.18 0.98 -0.13 0.00 -2.02 0.00 0.00 63.50 62.51 2oqs n PRO 88 Cb 0.45 -2.77 -0.13 0.00 -0.02 0.00 0.00 33.50 31.03 2oqs n PRO 88 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2oqs s THR 89 N -0.05 -0.04 0.00 3.45 -4.23 -1.26 -4.90 115.64 108.62 2oqs s THR 89 Ca 0.63 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 2oqs s THR 89 Cb -0.49 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.01 2oqs s THR 89 CO 0.49 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 2oqs n GLY 90 N 4.05 1.37 0.23 3.99 0.00 -1.26 -5.02 105.19 108.55 2oqs n GLY 90 Ca -0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 2oqs n GLY 90 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2oqs h SER 91 N 0.00 0.68 0.00 1.61 4.64 -2.03 -3.57 113.55 114.88 2oqs h SER 91 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2oqs h SER 91 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2oqs h SER 91 CO 0.00 1.05 0.00 1.41 -0.87 0.00 0.00 176.83 178.42