#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 1.38 -0.12 0.03 1.03 -1.26 -0.40 118.70 119.36 2oqs s GLU 2 Ca 0.00 -1.53 -0.05 0.00 0.03 0.00 0.00 54.97 53.42 2oqs s GLU 2 Cb 0.00 -1.40 0.06 0.00 -0.80 0.00 0.00 34.13 31.98 2oqs s GLU 2 CO 0.00 0.27 0.27 0.42 -1.33 0.00 0.00 175.26 174.89 2oqs s ILE 3 N -2.32 -0.20 -0.91 1.83 1.09 -0.86 -5.01 121.20 114.82 2oqs s ILE 3 Ca 0.20 0.20 -0.21 0.00 -1.10 0.00 0.00 60.65 59.74 2oqs s ILE 3 Cb -0.05 -0.43 0.10 0.00 -1.06 0.00 0.00 42.46 41.03 2oqs s ILE 3 CO 0.08 0.08 1.20 -0.54 -0.10 0.00 0.00 174.94 175.66 2oqs s LYS 4 N 1.76 3.52 -0.01 2.79 3.01 -1.26 -2.69 119.74 126.85 2oqs s LYS 4 Ca -0.05 -1.41 -0.21 0.00 -1.01 0.00 0.00 55.97 53.28 2oqs s LYS 4 Cb -0.11 -4.92 -0.05 0.00 -1.01 0.00 0.00 37.83 31.74 2oqs s LYS 4 CO -0.09 -1.91 0.61 -1.17 0.51 0.00 0.00 175.35 173.31 2oqs s LEU 5 N 3.59 4.40 -0.33 3.17 2.96 -0.75 -4.97 118.68 126.75 2oqs s LEU 5 Ca 0.35 1.17 -0.22 0.00 -0.22 0.00 0.00 54.13 55.21 2oqs s LEU 5 Cb -0.05 -2.95 -0.00 0.00 0.50 0.00 0.00 46.19 43.69 2oqs s LEU 5 CO -0.06 0.07 0.70 -0.63 -1.32 0.00 0.00 176.35 175.10 2oqs s ILE 6 N -0.03 4.85 -0.10 6.68 1.01 -1.26 -1.17 121.20 131.17 2oqs s ILE 6 Ca 0.32 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.55 2oqs s ILE 6 Cb -0.18 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2oqs s ILE 6 CO 0.17 -0.26 1.63 -0.75 0.00 0.00 0.00 174.94 175.73 2oqs s LYS 7 N 2.80 4.08 0.27 2.79 2.47 -0.95 -4.97 119.74 126.23 2oqs s LYS 7 Ca 0.28 2.02 0.00 0.00 -1.56 0.00 0.00 55.97 56.71 2oqs s LYS 7 Cb -0.14 -3.99 0.05 0.00 -1.46 0.00 0.00 37.83 32.29 2oqs s LYS 7 CO 0.14 -0.96 0.37 0.41 0.16 0.00 0.00 175.35 175.46 2oqs n GLY 8 N 4.24 0.81 0.35 5.54 0.00 -1.26 -4.88 105.19 109.99 2oqs n GLY 8 Ca 0.18 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 2oqs n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2oqs h PRO 9 N 0.00 -0.80 0.00 1.61 0.11 -1.98 -3.40 132.00 127.54 2oqs h PRO 9 Ca -0.12 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2oqs h PRO 9 Cb 0.46 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2oqs h PRO 9 CO 0.13 -0.48 0.00 1.17 -0.21 0.00 0.00 178.00 178.61 2oqs n LYS 10 N -5.37 0.00 0.00 1.05 4.81 -1.26 -5.07 118.16 112.32 2oqs n LYS 10 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 2oqs n LYS 10 Cb 0.36 -0.19 0.00 0.00 0.02 0.00 0.00 35.03 35.21 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 0.00 2.09 0.12 3.14 0.00 -1.26 -5.04 105.19 104.23 2oqs n GLY 11 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 0.36 -0.98 0.99 -0.00 -1.95 -3.34 115.31 110.38 2oqs h LEU 12 Ca 0.00 -0.87 -0.09 0.00 -0.00 0.00 0.00 57.88 56.92 2oqs h LEU 12 Cb 0.00 -0.12 0.03 0.00 -0.00 0.00 0.00 40.66 40.58 2oqs h LEU 12 CO 0.00 1.50 -0.16 0.61 -0.00 0.00 0.00 178.44 180.39 2oqs n GLY 13 N 1.69 0.60 1.63 0.83 0.00 -1.26 0.69 105.19 109.37 2oqs n GLY 13 Ca -0.21 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.07 -1.55 -4.37 1.61 1.16 -1.26 0.79 117.46 110.77 2oqs n PHE 14 Ca 0.00 -0.79 -0.19 0.00 -1.87 0.00 0.00 57.45 54.60 2oqs n PHE 14 Cb 0.51 0.39 -0.10 0.00 -1.61 0.00 0.00 39.48 38.68 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 -1.91 1.80 0.27 5.98 1.04 0.23 -4.87 113.70 116.25 2oqs s SER 15 Ca 0.07 -1.34 -0.17 0.00 0.48 0.00 0.00 55.95 54.99 2oqs s SER 15 Cb -0.02 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.14 2oqs s SER 15 CO 0.05 -0.63 0.62 0.27 0.98 0.00 0.00 173.24 174.53 2oqs s ILE 16 N -3.50 0.00 0.19 -1.02 -0.00 -1.26 -2.49 121.20 113.13 2oqs s ILE 16 Ca 0.35 -1.19 0.02 0.00 -0.00 0.00 0.00 60.65 59.83 2oqs s ILE 16 Cb 0.08 -2.15 -0.05 0.00 -0.00 0.00 0.00 42.46 40.34 2oqs s ILE 16 CO 0.13 0.00 0.02 0.00 -0.00 0.00 0.00 174.94 175.10 2oqs s ALA 17 N -3.85 1.42 0.00 2.27 0.00 0.86 -4.78 121.76 117.68 2oqs s ALA 17 Ca 0.17 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2oqs s ALA 17 Cb -0.04 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2oqs s ALA 17 CO 0.08 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2oqs n GLY 18 N -0.28 2.45 0.00 0.00 0.00 -1.16 -1.88 105.19 104.32 2oqs n GLY 18 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 2.73 3.76 -0.02 0.00 -1.17 -0.51 105.19 109.99 2oqs n GLY 19 Ca 0.00 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.47 2.49 0.00 1.61 1.01 -1.26 -0.07 120.40 121.71 2oqs s VAL 20 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2oqs s VAL 20 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2oqs s VAL 20 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2oqs n GLY 21 N 0.63 2.93 1.11 4.51 0.00 -1.26 -4.62 105.19 108.48 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 0.51 -4.75 1.61 6.94 -0.98 -5.12 115.26 113.47 2oqs n ASN 22 Ca 0.00 -1.96 -0.36 0.00 -0.02 0.00 0.00 54.58 52.24 2oqs n ASN 22 Cb 0.00 -0.22 0.04 0.00 -2.36 0.00 0.00 39.78 37.25 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 2.84 0.05 -3.83 -0.21 0.90 -2.99 119.66 116.42 2oqs s GLN 23 Ca 0.19 1.86 0.15 0.00 0.02 0.00 0.00 55.36 57.59 2oqs s GLN 23 Cb 0.22 -1.91 -0.15 0.00 1.00 0.00 0.00 33.01 32.17 2oqs s GLN 23 CO -0.10 -1.32 0.82 1.25 -2.12 0.00 0.00 175.29 173.82 2oqs h HIS 24 N 0.73 0.00 -2.94 0.91 -0.00 -1.83 -3.46 115.15 108.56 2oqs h HIS 24 Ca -0.50 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.68 2oqs h HIS 24 Cb 1.30 0.00 -0.30 0.00 -0.00 0.00 0.00 27.41 28.42 2oqs h HIS 24 CO 0.46 0.69 -0.46 0.42 -0.00 0.00 0.00 177.93 179.04 2oqs s ILE 25 N -2.84 -0.09 0.13 6.26 1.01 -1.26 -5.07 121.20 119.35 2oqs s ILE 25 Ca -0.03 0.16 -0.33 0.00 0.00 0.00 0.00 60.65 60.45 2oqs s ILE 25 Cb 0.08 -0.43 -0.12 0.00 0.01 0.00 0.00 42.46 42.00 2oqs s ILE 25 CO 0.81 0.06 1.71 -0.81 0.00 0.00 0.00 174.94 176.72 2oqs n PRO 26 N 4.38 2.46 0.00 2.79 -0.04 -1.26 -2.82 135.00 140.51 2oqs n PRO 26 Ca -0.23 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 2oqs n PRO 26 Cb 0.53 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.87 2.94 3.52 0.55 0.00 -1.26 -5.01 105.19 109.79 2oqs n GLY 27 Ca 0.18 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 6.11 -0.04 1.61 -1.08 -1.13 -4.95 116.67 117.20 2oqs s ASP 28 Ca 0.00 -0.49 0.04 0.00 -0.52 0.00 0.00 52.55 51.58 2oqs s ASP 28 Cb 0.00 -2.17 0.18 0.00 -1.46 0.00 0.00 42.92 39.47 2oqs s ASP 28 CO 0.00 -0.34 0.90 0.59 0.52 0.00 0.00 175.17 176.84 2oqs n ASN 29 N 5.24 1.74 -4.84 -0.34 3.02 -1.26 -4.31 115.26 114.50 2oqs n ASN 29 Ca -0.11 -2.15 -0.32 0.00 -0.03 0.00 0.00 54.58 51.97 2oqs n ASN 29 Cb 0.49 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2oqs s SER 30 N -0.43 6.69 0.04 6.41 1.04 -1.26 -3.05 113.70 123.13 2oqs s SER 30 Ca 0.12 1.57 -0.30 0.00 0.48 0.00 0.00 55.95 57.82 2oqs s SER 30 Cb 0.09 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 2oqs s SER 30 CO 0.05 -0.53 1.20 -0.63 0.98 0.00 0.00 173.24 174.31 2oqs s ILE 31 N -2.51 4.08 0.12 -1.02 1.09 -1.06 -4.62 121.20 117.28 2oqs s ILE 31 Ca 0.59 1.48 0.10 0.00 -1.10 0.00 0.00 60.65 61.73 2oqs s ILE 31 Cb -0.10 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.31 2oqs s ILE 31 CO 0.27 0.10 -0.25 -0.31 -0.10 0.00 0.00 174.94 174.65 2oqs s TYR 32 N 1.23 2.14 -0.13 3.97 1.51 -0.79 0.14 117.35 125.43 2oqs s TYR 32 Ca 0.58 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.99 2oqs s TYR 32 Cb -0.29 -1.17 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 2oqs s TYR 32 CO 0.28 0.29 0.87 0.08 -1.11 0.00 0.00 175.55 175.96 2oqs s VAL 33 N -1.08 4.88 -0.11 0.71 1.01 -1.20 -0.10 120.40 124.51 2oqs s VAL 33 Ca 0.12 1.74 0.20 0.00 0.00 0.00 0.00 61.98 64.03 2oqs s VAL 33 Cb -0.10 -4.18 -0.28 0.00 0.00 0.00 0.00 36.38 31.82 2oqs s VAL 33 CO 0.05 0.06 0.39 1.07 0.00 0.00 0.00 175.10 176.68 2oqs n THR 34 N 4.49 0.62 -3.57 3.92 5.66 -1.04 -3.08 114.28 121.28 2oqs n THR 34 Ca 0.05 -0.64 -0.02 0.00 -3.05 0.00 0.00 64.05 60.39 2oqs n THR 34 Cb 0.49 -0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 68.98 2oqs n THR 34 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2oqs s LYS 35 N -3.10 0.48 -0.24 1.09 2.20 -1.26 -4.98 119.74 113.94 2oqs s LYS 35 Ca -0.08 1.04 -0.10 0.00 -0.36 0.00 0.00 55.97 56.47 2oqs s LYS 35 Cb 0.11 0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 36.82 2oqs s LYS 35 CO 0.87 -0.14 0.14 0.42 -0.36 0.00 0.00 175.35 176.28 2oqs s ILE 36 N 2.21 5.14 0.47 5.43 1.01 -1.26 0.74 121.20 134.94 2oqs s ILE 36 Ca -0.06 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 2oqs s ILE 36 Cb -0.07 -3.39 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 2oqs s ILE 36 CO -0.18 0.35 0.95 -0.63 0.00 0.00 0.00 174.94 175.43 2oqs s ILE 37 N 1.10 4.50 0.43 2.92 1.09 0.24 -4.94 121.20 126.53 2oqs s ILE 37 Ca 0.07 1.28 -0.24 0.00 -1.10 0.00 0.00 60.65 60.65 2oqs s ILE 37 Cb -0.14 -3.67 -0.08 0.00 -1.06 0.00 0.00 42.46 37.52 2oqs s ILE 37 CO 0.05 -0.51 1.21 -1.61 -0.10 0.00 0.00 174.94 173.98 2oqs s GLU 38 N -3.65 3.88 -0.62 2.79 2.02 -1.26 -2.89 118.70 118.96 2oqs s GLU 38 Ca 0.59 1.92 0.00 0.00 0.02 0.00 0.00 54.97 57.51 2oqs s GLU 38 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.55 2oqs s GLU 38 CO 0.23 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.43 2oqs n GLY 39 N 0.59 0.74 3.95 -1.39 0.00 -1.26 -5.00 105.19 102.82 2oqs n GLY 39 Ca 0.05 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.41 1.59 0.12 -0.02 0.00 -1.14 -4.82 107.32 100.65 2oqs s GLY 40 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.41 2oqs s GLY 40 CO 0.00 -0.83 1.49 0.00 0.00 0.00 0.00 173.10 173.76 2oqs h ALA 41 N 0.28 -0.69 -0.21 3.20 0.00 0.13 0.48 119.26 122.45 2oqs h ALA 41 Ca -0.46 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2oqs h ALA 41 Cb 1.26 1.13 -0.01 0.00 0.00 0.00 0.00 17.79 20.17 2oqs h ALA 41 CO 0.57 -0.95 0.10 0.00 0.00 0.00 0.00 179.25 178.97 2oqs h ALA 42 N -0.09 0.27 -0.18 0.00 0.00 -1.86 -1.22 119.26 116.17 2oqs h ALA 42 Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2oqs h ALA 42 Cb 0.50 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2oqs h ALA 42 CO -0.59 -0.17 -0.19 1.25 0.00 0.00 0.00 179.25 179.55 2oqs h HIS 43 N 0.20 -0.48 -0.70 0.00 6.17 -1.64 0.15 115.15 118.85 2oqs h HIS 43 Ca 0.07 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.13 2oqs h HIS 43 Cb 0.12 0.24 -0.03 0.00 2.52 0.00 0.00 27.41 30.26 2oqs h HIS 43 CO -0.02 -0.26 0.23 0.87 0.71 0.00 0.00 177.93 179.45 2oqs h LYS 44 N -0.21 1.09 0.13 5.26 1.57 -0.02 -3.13 116.57 121.25 2oqs h LYS 44 Ca 0.12 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2oqs h LYS 44 Cb 0.38 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2oqs h LYS 44 CO -0.31 0.93 -0.06 0.22 -0.57 0.00 0.00 179.45 179.66 2oqs h ASP 45 N 1.03 -0.15 0.00 0.86 3.58 -0.70 -3.47 116.42 117.57 2oqs h ASP 45 Ca 0.23 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2oqs h ASP 45 Cb 0.29 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2oqs h ASP 45 CO -0.01 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 2oqs n GLY 46 N -0.76 2.98 0.07 -0.78 0.00 0.49 -4.89 105.19 102.30 2oqs n GLY 46 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 0.64 0.08 -6.27 1.61 1.79 -1.91 -3.41 116.57 109.10 2oqs h LYS 47 Ca 0.00 -0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2oqs h LYS 47 Cb 0.00 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 2oqs h LYS 47 CO 0.00 0.05 0.55 -1.17 -1.08 0.00 0.00 179.45 177.81 2oqs s LEU 48 N -10.21 4.26 0.03 2.94 0.20 -1.26 -5.04 118.68 109.59 2oqs s LEU 48 Ca -0.13 1.55 0.03 0.00 0.69 0.00 0.00 54.13 56.27 2oqs s LEU 48 Cb 0.07 -3.56 -0.02 0.00 -0.43 0.00 0.00 46.19 42.26 2oqs s LEU 48 CO 0.67 -0.43 -0.10 0.00 -0.29 0.00 0.00 176.35 176.20 2oqs s GLN 49 N 1.92 0.69 -0.05 1.98 0.00 -1.26 -4.70 119.66 118.25 2oqs s GLN 49 Ca 0.49 -0.62 -0.38 0.00 -0.00 0.00 0.00 55.36 54.84 2oqs s GLN 49 Cb -0.19 -0.62 -0.17 0.00 0.00 0.00 0.00 33.01 32.03 2oqs s GLN 49 CO 0.19 0.15 1.44 0.44 0.00 0.00 0.00 175.29 177.51 2oqs n ILE 50 N 2.02 0.09 0.00 3.63 -6.64 -1.26 -2.43 119.36 114.77 2oqs n ILE 50 Ca -0.18 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.78 2oqs n ILE 50 Cb 0.55 -0.85 0.00 0.00 -1.44 0.00 0.00 39.64 37.90 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2oqs n GLY 51 N 2.97 1.27 3.77 3.28 0.00 -1.18 -5.01 105.19 110.30 2oqs n GLY 51 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.46 5.34 0.07 1.61 1.47 -1.02 -4.86 116.67 117.83 2oqs s ASP 52 Ca 0.00 2.08 0.05 0.00 1.18 0.00 0.00 52.55 55.86 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 -1.47 -0.05 -1.59 0.68 0.00 0.00 175.17 172.74 2oqs s LYS 53 N -3.76 2.44 -0.52 2.11 -2.85 -1.26 -3.27 119.74 112.63 2oqs s LYS 53 Ca 0.69 -0.85 -0.17 0.00 -1.00 0.00 0.00 55.97 54.64 2oqs s LYS 53 Cb -0.22 -2.47 0.09 0.00 -2.06 0.00 0.00 37.83 33.17 2oqs s LYS 53 CO 0.36 0.55 0.53 -0.51 0.10 0.00 0.00 175.35 176.37 2oqs s LEU 54 N -2.03 5.55 -0.02 2.77 1.43 0.38 -2.91 118.68 123.85 2oqs s LEU 54 Ca 0.22 -1.35 -0.26 0.00 -1.03 0.00 0.00 54.13 51.72 2oqs s LEU 54 Cb -0.11 -2.27 -0.20 0.00 0.03 0.00 0.00 46.19 43.63 2oqs s LEU 54 CO 0.14 -0.83 1.28 0.25 0.23 0.00 0.00 176.35 177.42 2oqs h LEU 55 N 9.22 -0.01 -7.58 1.79 7.12 0.91 -3.34 115.31 123.42 2oqs h LEU 55 Ca -0.29 -0.46 -0.10 0.00 0.13 0.00 0.00 57.88 57.17 2oqs h LEU 55 Cb 1.10 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 41.06 2oqs h LEU 55 CO 0.97 0.46 -0.27 0.00 -0.13 0.00 0.00 178.44 179.47 2oqs s ALA 56 N -4.35 -0.64 -0.22 1.25 0.00 0.50 -1.08 121.76 117.22 2oqs s ALA 56 Ca -0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 2oqs s ALA 56 Cb 0.02 0.31 0.07 0.00 0.00 0.00 0.00 23.12 23.52 2oqs s ALA 56 CO 0.67 -0.41 0.03 0.08 0.00 0.00 0.00 175.76 176.14 2oqs s VAL 57 N -2.55 0.73 -1.22 0.00 1.01 0.45 -0.15 120.40 118.67 2oqs s VAL 57 Ca -0.05 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2oqs s VAL 57 Cb -0.01 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2oqs s VAL 57 CO -0.03 -0.28 1.05 0.59 0.00 0.00 0.00 175.10 176.42 2oqs n ASN 58 N 4.96 -4.31 0.00 3.32 4.13 -0.76 -2.18 115.26 120.41 2oqs n ASN 58 Ca -0.08 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.63 2oqs n ASN 58 Cb 0.46 -4.85 0.00 0.00 -1.54 0.00 0.00 39.78 33.85 2oqs n ASN 58 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2oqs n ASN 59 N -2.90 0.00 -4.85 6.41 5.15 -1.26 -5.02 115.26 112.79 2oqs n ASN 59 Ca -0.12 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.52 2oqs n ASN 59 Cb 0.60 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.80 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 -1.93 4.84 -0.05 3.44 -7.23 -0.93 -5.06 120.40 113.49 2oqs s VAL 60 Ca 0.00 0.79 -0.24 0.00 -1.81 0.00 0.00 61.98 60.72 2oqs s VAL 60 Cb 0.00 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 2oqs s VAL 60 CO 0.00 0.15 0.73 0.00 -0.31 0.00 0.00 175.10 175.67 2oqs n LEU 62 N 3.63 6.22 -0.00 0.00 7.94 -0.24 -4.32 117.00 130.23 2oqs n LEU 62 Ca -0.01 -3.58 0.04 0.00 -1.11 0.00 0.00 56.01 51.35 2oqs n LEU 62 Cb 0.51 -0.79 -0.06 0.00 0.53 0.00 0.00 43.42 43.61 2oqs n LEU 62 CO 0.47 1.05 -0.53 1.21 -1.11 0.00 0.00 177.39 178.48 2oqs n GLU 63 N -1.01 0.68 -2.51 1.96 0.00 -1.26 -2.56 120.64 115.95 2oqs n GLU 63 Ca 0.53 -0.06 -0.24 0.00 0.00 0.00 0.00 57.16 57.39 2oqs n GLU 63 Cb 1.53 -1.15 0.01 0.00 0.00 0.00 0.00 31.44 31.82 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2oqs n GLU 64 N -1.71 3.02 -3.83 5.31 1.02 -1.26 -4.39 120.64 118.79 2oqs n GLU 64 Ca -0.01 -4.28 -0.12 0.00 -0.02 0.00 0.00 57.16 52.73 2oqs n GLU 64 Cb 0.20 -2.07 -0.09 0.00 -0.02 0.00 0.00 31.44 29.45 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 -5.09 0.07 1.08 2.62 -7.23 -1.26 -5.11 120.40 105.48 2oqs s VAL 65 Ca 0.44 -0.60 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 2oqs s VAL 65 Cb 0.41 -0.49 0.24 0.00 0.56 0.00 0.00 36.38 37.10 2oqs s VAL 65 CO -0.15 -0.33 1.06 0.42 -0.31 0.00 0.00 175.10 175.79 2oqs s THR 66 N -1.33 2.09 0.31 5.32 -4.23 -1.26 -3.46 115.64 113.09 2oqs s THR 66 Ca -0.14 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2oqs s THR 66 Cb -0.07 -2.25 0.29 0.00 1.34 0.00 0.00 72.50 71.82 2oqs s THR 66 CO 0.02 -0.04 1.88 -0.74 -0.54 0.00 0.00 174.62 175.20 2oqs h HIS 67 N -2.28 1.00 -0.43 3.99 2.76 -1.10 -2.06 115.15 117.02 2oqs h HIS 67 Ca -0.57 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 57.71 2oqs h HIS 67 Cb 1.32 -0.32 -0.09 0.00 1.55 0.00 0.00 27.41 29.87 2oqs h HIS 67 CO 0.30 0.44 -0.29 0.93 -1.30 0.00 0.00 177.93 178.01 2oqs h GLU 68 N 0.91 -0.19 -0.27 5.26 5.08 -1.91 0.19 114.58 123.65 2oqs h GLU 68 Ca 0.44 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2oqs h GLU 68 Cb 0.45 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2oqs h GLU 68 CO -0.20 -0.13 0.09 1.49 -1.00 0.00 0.00 179.01 179.26 2oqs h GLU 69 N -0.20 0.38 -0.69 2.33 4.22 -1.72 0.24 114.58 119.14 2oqs h GLU 69 Ca 0.19 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.60 2oqs h GLU 69 Cb 0.51 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2oqs h GLU 69 CO -0.55 0.33 0.45 0.00 -2.18 0.00 0.00 179.01 177.07 2oqs h ALA 70 N 1.73 0.88 0.18 2.92 0.00 -0.29 -0.47 119.26 124.20 2oqs h ALA 70 Ca 0.10 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 2oqs h ALA 70 Cb 0.11 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.63 2oqs h ALA 70 CO -0.01 0.31 -1.37 0.28 0.00 0.00 0.00 179.25 178.45 2oqs h VAL 71 N 0.94 1.38 -0.17 0.00 2.07 -0.57 -2.85 116.25 117.04 2oqs h VAL 71 Ca 0.25 -2.89 -0.03 0.00 0.82 0.00 0.00 66.70 64.85 2oqs h VAL 71 Cb -0.10 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2oqs h VAL 71 CO -0.05 0.86 -0.04 0.74 0.02 0.00 0.00 177.57 179.09 2oqs h THR 72 N 0.11 1.13 0.10 2.57 2.02 -0.32 0.60 112.91 119.11 2oqs h THR 72 Ca -0.20 -0.55 -0.29 0.00 0.77 0.00 0.00 66.41 66.15 2oqs h THR 72 Cb 2.06 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 2oqs h THR 72 CO 0.23 0.18 -1.46 0.00 0.37 0.00 0.00 175.52 174.84 2oqs h ALA 73 N 1.73 0.31 0.13 6.16 0.00 -1.16 -2.66 119.26 123.77 2oqs h ALA 73 Ca 0.06 -1.10 -0.29 0.00 0.00 0.00 0.00 54.91 53.58 2oqs h ALA 73 Cb 0.23 0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.27 2oqs h ALA 73 CO 0.01 1.18 -1.24 -0.07 0.00 0.00 0.00 179.25 179.12 2oqs h LEU 74 N 0.05 0.64 -0.57 0.00 -0.00 -1.25 -3.29 115.31 110.91 2oqs h LEU 74 Ca -0.21 -0.63 -0.10 0.00 -0.00 0.00 0.00 57.88 56.93 2oqs h LEU 74 Cb 1.98 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 42.42 2oqs h LEU 74 CO 0.15 1.47 -0.50 0.07 -0.00 0.00 0.00 178.44 179.64 2oqs h LYS 75 N 0.17 0.00 -5.16 1.13 2.10 0.07 -3.43 116.57 111.44 2oqs h LYS 75 Ca -0.16 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.43 2oqs h LYS 75 Cb 1.94 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.25 2oqs h LYS 75 CO 0.22 0.50 0.42 -1.71 -2.00 0.00 0.00 179.45 176.88 2oqs n ASN 76 N -3.45 0.70 -4.68 7.07 4.05 -1.00 -4.88 115.26 113.06 2oqs n ASN 76 Ca 0.00 -1.69 -0.42 0.00 0.45 0.00 0.00 54.58 52.93 2oqs n ASN 76 Cb 0.63 -1.40 -0.03 0.00 1.23 0.00 0.00 39.78 40.21 2oqs n ASN 76 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2oqs s THR 77 N 11.82 4.83 0.00 -0.44 -4.23 -1.26 -4.99 115.64 121.36 2oqs s THR 77 Ca 0.83 1.88 0.00 0.00 -1.18 0.00 0.00 61.69 63.23 2oqs s THR 77 Cb -0.19 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.41 2oqs s THR 77 CO 0.18 0.03 0.00 -0.24 -0.54 0.00 0.00 174.62 174.05 2oqs n SER 78 N 4.99 0.00 -0.08 3.99 2.88 -1.26 -5.09 113.62 119.06 2oqs n SER 78 Ca 0.07 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.51 2oqs n SER 78 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 2oqs n SER 78 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2oqs h ASP 79 N 0.00 0.00 -2.32 -3.46 3.58 -1.94 -3.44 116.42 108.85 2oqs h ASP 79 Ca 0.00 -0.22 -0.57 0.00 0.42 0.00 0.00 57.03 56.66 2oqs h ASP 79 Cb 0.00 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 40.92 2oqs h ASP 79 CO 0.00 0.95 -0.63 0.12 -2.88 0.00 0.00 179.24 176.79 2oqs s PHE 80 N -2.17 2.26 -0.06 0.28 5.36 -1.26 -2.24 117.98 120.15 2oqs s PHE 80 Ca -0.17 -0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 55.07 2oqs s PHE 80 Cb 0.02 -1.46 0.04 0.00 -0.34 0.00 0.00 43.02 41.28 2oqs s PHE 80 CO 0.33 0.34 0.10 0.08 -1.46 0.00 0.00 175.22 174.61 2oqs s VAL 81 N -2.88 -0.17 -0.59 3.12 1.01 -0.32 -4.80 120.40 115.78 2oqs s VAL 81 Ca 0.34 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 2oqs s VAL 81 Cb 0.07 -0.22 0.14 0.00 0.00 0.00 0.00 36.38 36.37 2oqs s VAL 81 CO 0.16 0.15 0.57 -0.47 0.00 0.00 0.00 175.10 175.52 2oqs s TYR 82 N 2.22 3.28 -0.16 5.22 6.14 -1.26 -1.80 117.35 130.98 2oqs s TYR 82 Ca 0.04 -1.34 -0.24 0.00 0.64 0.00 0.00 57.07 56.17 2oqs s TYR 82 Cb -0.12 -3.84 -0.02 0.00 0.42 0.00 0.00 41.96 38.40 2oqs s TYR 82 CO -0.04 -1.06 0.79 -1.17 0.64 0.00 0.00 175.55 174.70 2oqs s LEU 83 N 1.58 4.19 -0.37 6.97 2.96 -1.09 -1.83 118.68 131.08 2oqs s LEU 83 Ca 0.06 1.13 -0.05 0.00 -0.22 0.00 0.00 54.13 55.05 2oqs s LEU 83 Cb -0.26 -3.17 0.07 0.00 0.50 0.00 0.00 46.19 43.33 2oqs s LEU 83 CO 0.02 -0.35 0.15 -0.54 -1.32 0.00 0.00 176.35 174.31 2oqs s LYS 84 N 1.96 2.40 -0.16 1.98 1.02 0.79 -2.03 119.74 125.70 2oqs s LYS 84 Ca 0.37 -1.45 -0.03 0.00 0.02 0.00 0.00 55.97 54.88 2oqs s LYS 84 Cb -0.17 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 2oqs s LYS 84 CO 0.13 -0.84 -0.07 0.08 -0.92 0.00 0.00 175.35 173.73 2oqs s VAL 85 N 1.30 3.49 0.31 3.17 1.01 0.46 0.14 120.40 130.27 2oqs s VAL 85 Ca 0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2oqs s VAL 85 Cb -0.21 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 2oqs s VAL 85 CO -0.00 0.49 0.63 0.00 0.00 0.00 0.00 175.10 176.21 2oqs s ALA 86 N 0.62 3.51 -0.30 5.51 0.00 -1.15 -4.17 121.76 125.78 2oqs s ALA 86 Ca -0.04 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 2oqs s ALA 86 Cb -0.15 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.49 2oqs s ALA 86 CO 0.03 0.25 0.79 0.21 0.00 0.00 0.00 175.76 177.04 2oqs s LYS 87 N -3.39 4.00 -0.18 0.00 2.20 -1.26 -4.40 119.74 116.71 2oqs s LYS 87 Ca 0.48 0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 56.43 2oqs s LYS 87 Cb -0.11 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 2oqs s LYS 87 CO 0.27 -0.65 1.49 -1.25 -0.36 0.00 0.00 175.35 174.85 2oqs s PRO 88 N 2.94 4.02 -0.25 4.03 0.04 -1.26 -4.99 135.00 139.53 2oqs s PRO 88 Ca 0.33 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 2oqs s PRO 88 Cb -0.14 -3.93 0.07 0.00 0.04 0.00 0.00 34.50 30.54 2oqs s PRO 88 CO 0.12 -1.01 0.63 -0.08 0.04 0.00 0.00 177.00 176.70 2oqs s THR 89 N 4.37 -0.00 0.12 1.26 -1.32 -1.26 -5.17 115.64 113.64 2oqs s THR 89 Ca 0.66 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 61.18 2oqs s THR 89 Cb -0.25 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 2oqs s THR 89 CO 0.25 0.01 0.19 -0.83 -2.21 0.00 0.00 174.62 172.02 2oqs s GLY 90 N 1.23 1.88 -0.27 6.08 0.00 -1.26 -5.04 107.32 109.94 2oqs s GLY 90 Ca -0.07 -1.03 -0.14 0.00 0.00 0.00 0.00 44.72 43.48 2oqs s GLY 90 CO -0.13 -1.03 -0.36 -1.14 0.00 0.00 0.00 173.10 170.45 2oqs n SER 91 N -0.12 1.95 -0.11 1.64 3.41 -1.26 -5.34 113.62 113.78 2oqs n SER 91 Ca -0.07 0.34 0.16 0.00 -0.26 0.00 0.00 58.87 59.03 2oqs n SER 91 Cb 0.53 -0.81 0.85 0.00 -0.26 0.00 0.00 64.21 64.52 2oqs n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88