#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 4.60 -0.18 2.12 1.03 -1.26 -0.63 118.70 124.37 2oqs s GLU 2 Ca 0.00 1.28 -0.04 0.00 0.03 0.00 0.00 54.97 56.23 2oqs s GLU 2 Cb 0.00 -2.99 0.08 0.00 -0.80 0.00 0.00 34.13 30.42 2oqs s GLU 2 CO 0.00 0.40 0.20 0.42 -1.33 0.00 0.00 175.26 174.95 2oqs s ILE 3 N -1.43 -0.30 0.06 1.83 1.09 0.13 -4.95 121.20 117.63 2oqs s ILE 3 Ca 0.45 -0.04 0.01 0.00 -1.10 0.00 0.00 60.65 59.97 2oqs s ILE 3 Cb -0.21 -0.61 -0.04 0.00 -1.06 0.00 0.00 42.46 40.54 2oqs s ILE 3 CO 0.26 -0.15 0.12 -1.59 -0.10 0.00 0.00 174.94 173.47 2oqs s LYS 4 N 2.31 3.08 0.25 2.79 -2.85 -1.26 -1.99 119.74 122.07 2oqs s LYS 4 Ca 0.06 -0.58 -0.10 0.00 -1.00 0.00 0.00 55.97 54.34 2oqs s LYS 4 Cb -0.15 -2.85 -0.01 0.00 -2.06 0.00 0.00 37.83 32.77 2oqs s LYS 4 CO -0.11 0.59 0.44 -0.51 0.10 0.00 0.00 175.35 175.86 2oqs s LEU 5 N -2.31 0.48 -0.25 2.77 1.43 -0.25 -4.99 118.68 115.57 2oqs s LEU 5 Ca 0.30 -1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 2oqs s LEU 5 Cb -0.12 1.58 -0.04 0.00 0.03 0.00 0.00 46.19 47.63 2oqs s LEU 5 CO 0.22 -1.12 0.36 -0.51 0.23 0.00 0.00 176.35 175.53 2oqs s ILE 6 N -3.92 5.19 0.25 -0.59 -1.16 -1.26 -0.39 121.20 119.32 2oqs s ILE 6 Ca 0.25 0.57 -0.31 0.00 -0.51 0.00 0.00 60.65 60.66 2oqs s ILE 6 Cb 0.00 -3.69 -0.13 0.00 0.61 0.00 0.00 42.46 39.25 2oqs s ILE 6 CO 0.10 0.19 1.35 1.17 -2.81 0.00 0.00 174.94 174.94 2oqs n LYS 7 N 5.09 1.93 0.00 3.50 3.00 -0.11 -4.91 118.16 126.66 2oqs n LYS 7 Ca -0.09 0.69 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 2oqs n LYS 7 Cb 0.51 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 33.24 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 1.88 1.48 0.00 3.14 0.00 -1.26 -4.90 105.19 105.54 2oqs n GLY 8 Ca 0.11 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 1.61 -0.02 -1.26 -4.61 135.00 130.72 2oqs n PRO 9 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2oqs n PRO 9 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2oqs n PRO 9 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2oqs n LYS 10 N -1.26 0.00 0.00 -0.52 4.76 -1.26 -5.04 118.16 114.84 2oqs n LYS 10 Ca 0.00 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2oqs n LYS 10 Cb 0.00 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2oqs n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2oqs n GLY 11 N -0.74 -0.42 0.09 0.72 0.00 -1.26 -5.03 105.19 98.55 2oqs n GLY 11 Ca 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.42 0.99 -0.00 -1.96 -3.39 115.31 110.53 2oqs h LEU 12 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2oqs h LEU 12 CO 0.00 1.33 0.00 0.61 -0.00 0.00 0.00 178.44 180.38 2oqs n GLY 13 N 1.49 0.95 1.84 0.83 0.00 -1.26 0.45 105.19 109.49 2oqs n GLY 13 Ca -0.25 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.18 -1.58 -4.54 1.61 1.16 -1.26 0.96 117.46 111.63 2oqs n PHE 14 Ca 0.00 -0.87 -0.25 0.00 -1.87 0.00 0.00 57.45 54.46 2oqs n PHE 14 Cb 0.34 0.43 -0.09 0.00 -1.61 0.00 0.00 39.48 38.55 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 -2.03 2.90 0.29 5.98 1.04 0.23 -4.88 113.70 117.23 2oqs s SER 15 Ca 0.08 -1.56 -0.17 0.00 0.48 0.00 0.00 55.95 54.79 2oqs s SER 15 Cb -0.02 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.39 2oqs s SER 15 CO 0.05 -0.79 0.65 0.27 0.98 0.00 0.00 173.24 174.40 2oqs s ILE 16 N -3.17 0.00 0.16 -1.02 -0.00 -1.26 -2.84 121.20 113.08 2oqs s ILE 16 Ca 0.26 -1.16 -0.01 0.00 -0.00 0.00 0.00 60.65 59.74 2oqs s ILE 16 Cb 0.05 -2.24 -0.04 0.00 -0.00 0.00 0.00 42.46 40.23 2oqs s ILE 16 CO 0.13 0.00 0.08 0.00 -0.00 0.00 0.00 174.94 175.16 2oqs s ALA 17 N -3.65 1.02 0.00 2.27 0.00 0.76 -4.74 121.76 117.43 2oqs s ALA 17 Ca 0.16 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2oqs s ALA 17 Cb -0.04 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.14 2oqs s ALA 17 CO 0.09 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2oqs n GLY 18 N -0.18 2.68 0.00 0.00 0.00 -1.15 -1.93 105.19 104.61 2oqs n GLY 18 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.17 2.33 3.77 -0.02 0.00 -0.95 0.36 105.19 110.51 2oqs n GLY 19 Ca 0.00 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.95 2.64 0.00 1.61 1.01 -1.26 0.90 120.40 122.35 2oqs s VAL 20 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2oqs s VAL 20 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2oqs s VAL 20 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2oqs n GLY 21 N 0.67 2.88 0.23 4.51 0.00 -1.26 -4.57 105.19 107.64 2oqs n GLY 21 Ca 0.04 0.00 0.04 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 0.33 1.04 -4.67 1.61 2.04 -1.02 -5.10 115.26 109.49 2oqs n ASN 22 Ca 0.00 -2.25 -0.38 0.00 -0.44 0.00 0.00 54.58 51.50 2oqs n ASN 22 Cb 0.00 -0.23 0.05 0.00 -2.53 0.00 0.00 39.78 37.06 2oqs n ASN 22 CO 0.00 0.00 0.00 1.67 -0.44 0.00 0.00 177.26 178.49 2oqs n GLN 23 N -0.56 1.27 0.06 -3.83 7.27 0.26 -2.95 117.38 118.90 2oqs n GLN 23 Ca 0.06 0.48 0.02 0.00 0.07 0.00 0.00 57.00 57.62 2oqs n GLN 23 Cb 0.60 -2.34 -0.05 0.00 2.41 0.00 0.00 30.24 30.86 2oqs n GLN 23 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2oqs h HIS 24 N 0.98 0.00 -2.19 3.69 -0.00 -1.83 -3.45 115.15 112.34 2oqs h HIS 24 Ca -0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.81 2oqs h HIS 24 Cb 1.34 0.00 -0.21 0.00 -0.00 0.00 0.00 27.41 28.54 2oqs h HIS 24 CO 0.41 0.49 0.06 0.96 -0.00 0.00 0.00 177.93 179.86 2oqs s ILE 25 N -2.99 0.00 0.12 6.26 -4.36 -1.26 -5.07 121.20 113.90 2oqs s ILE 25 Ca -0.02 -0.04 -0.31 0.00 -0.26 0.00 0.00 60.65 60.02 2oqs s ILE 25 Cb 0.09 -0.91 -0.08 0.00 1.25 0.00 0.00 42.46 42.81 2oqs s ILE 25 CO 0.80 -0.02 1.45 -2.84 0.24 0.00 0.00 174.94 174.57 2oqs s PRO 26 N -0.31 4.28 0.00 0.37 0.02 -1.26 -3.09 135.00 135.01 2oqs s PRO 26 Ca -0.05 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.13 2oqs s PRO 26 Cb -0.03 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.22 2oqs s PRO 26 CO 0.04 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 2oqs n GLY 27 N 3.60 1.96 2.88 0.52 0.00 -1.26 -5.04 105.19 107.86 2oqs n GLY 27 Ca 0.12 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 0.12 2.62 -0.06 1.61 -1.08 -1.18 -5.00 116.67 113.71 2oqs s ASP 28 Ca 0.00 -0.56 0.07 0.00 -0.52 0.00 0.00 52.55 51.54 2oqs s ASP 28 Cb 0.00 -0.87 0.31 0.00 -1.46 0.00 0.00 42.92 40.90 2oqs s ASP 28 CO 0.00 -0.17 1.07 -0.46 0.52 0.00 0.00 175.17 176.12 2oqs n ASN 29 N 4.91 2.47 -3.47 -0.34 0.23 -1.26 -4.33 115.26 113.47 2oqs n ASN 29 Ca -0.12 -2.25 -0.25 0.00 -0.53 0.00 0.00 54.58 51.43 2oqs n ASN 29 Cb 0.48 -0.46 0.20 0.00 -2.08 0.00 0.00 39.78 37.93 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2oqs n SER 30 N 0.28 -1.30 -4.52 0.53 7.64 -1.26 -2.23 113.62 112.77 2oqs n SER 30 Ca 0.11 -1.18 -0.41 0.00 1.01 0.00 0.00 58.87 58.39 2oqs n SER 30 Cb 0.51 -0.86 -0.09 0.00 -1.01 0.00 0.00 64.21 62.75 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 -2.94 5.18 -0.04 0.44 -1.09 -0.90 -4.13 121.20 117.72 2oqs s ILE 31 Ca 0.62 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 2oqs s ILE 31 Cb -0.05 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 2oqs s ILE 31 CO 0.46 -0.17 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.60 2oqs s TYR 32 N 1.95 2.86 -0.19 3.97 1.51 -0.81 -0.24 117.35 126.41 2oqs s TYR 32 Ca 0.10 -0.04 -0.29 0.00 -1.01 0.00 0.00 57.07 55.83 2oqs s TYR 32 Cb -0.17 -1.65 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 2oqs s TYR 32 CO 0.12 0.31 1.14 0.08 -1.11 0.00 0.00 175.55 176.09 2oqs s VAL 33 N -0.86 4.49 -0.13 0.71 1.01 -1.21 -0.17 120.40 124.25 2oqs s VAL 33 Ca 0.14 1.80 0.18 0.00 0.00 0.00 0.00 61.98 64.10 2oqs s VAL 33 Cb -0.11 -4.16 -0.22 0.00 0.00 0.00 0.00 36.38 31.88 2oqs s VAL 33 CO 0.03 -0.15 0.48 1.07 0.00 0.00 0.00 175.10 176.53 2oqs n THR 34 N 5.30 1.04 -3.64 3.92 5.66 -1.13 -1.77 114.28 123.65 2oqs n THR 34 Ca 0.13 -0.72 -0.04 0.00 -3.05 0.00 0.00 64.05 60.37 2oqs n THR 34 Cb 0.46 -0.51 -0.05 0.00 -1.55 0.00 0.00 70.33 68.68 2oqs n THR 34 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2oqs s LYS 35 N -2.87 0.63 -0.26 1.09 1.02 -1.26 -4.95 119.74 113.14 2oqs s LYS 35 Ca -0.07 1.33 -0.10 0.00 0.02 0.00 0.00 55.97 57.15 2oqs s LYS 35 Cb 0.09 0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 37.86 2oqs s LYS 35 CO 0.84 -0.17 0.14 0.42 -0.92 0.00 0.00 175.35 175.66 2oqs s ILE 36 N 2.27 5.03 0.38 2.17 1.01 -1.26 0.77 121.20 131.57 2oqs s ILE 36 Ca -0.08 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.39 2oqs s ILE 36 Cb -0.08 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 2oqs s ILE 36 CO -0.19 0.31 1.12 -0.63 0.00 0.00 0.00 174.94 175.55 2oqs s ILE 37 N 1.47 3.37 0.51 2.92 1.09 0.27 -4.94 121.20 125.88 2oqs s ILE 37 Ca 0.07 1.16 -0.22 0.00 -1.10 0.00 0.00 60.65 60.56 2oqs s ILE 37 Cb -0.15 -3.65 -0.08 0.00 -1.06 0.00 0.00 42.46 37.52 2oqs s ILE 37 CO 0.07 0.11 1.02 1.21 -0.10 0.00 0.00 174.94 177.25 2oqs n GLU 38 N 0.24 1.22 -1.79 2.79 0.00 -1.26 -1.83 120.64 120.01 2oqs n GLU 38 Ca 0.03 0.45 -0.16 0.00 0.00 0.00 0.00 57.16 57.49 2oqs n GLU 38 Cb 0.47 -2.15 -0.05 0.00 0.00 0.00 0.00 31.44 29.71 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2oqs n GLY 39 N 1.18 0.81 3.95 8.31 0.00 -1.26 -4.96 105.19 113.23 2oqs n GLY 39 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.23 1.73 0.20 -0.02 0.00 -0.76 -4.77 107.32 101.47 2oqs s GLY 40 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 2oqs s GLY 40 CO 0.00 -0.71 1.71 0.00 0.00 0.00 0.00 173.10 174.10 2oqs h ALA 41 N -0.67 0.65 0.11 3.20 0.00 -0.25 0.25 119.26 122.56 2oqs h ALA 41 Ca -0.42 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2oqs h ALA 41 Cb 1.29 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2oqs h ALA 41 CO 0.51 -0.31 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 2oqs h ALA 42 N 1.45 -0.15 -0.88 0.00 0.00 -1.87 -2.02 119.26 115.80 2oqs h ALA 42 Ca 0.29 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.15 2oqs h ALA 42 Cb 0.43 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 2oqs h ALA 42 CO -0.39 -0.23 0.39 1.25 0.00 0.00 0.00 179.25 180.27 2oqs h HIS 43 N -0.85 0.65 -0.02 0.00 6.17 -1.76 0.16 115.15 119.50 2oqs h HIS 43 Ca -0.01 0.04 -0.20 0.00 0.71 0.00 0.00 60.37 60.90 2oqs h HIS 43 Cb 0.56 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.34 2oqs h HIS 43 CO 0.11 -0.00 -0.85 0.87 0.71 0.00 0.00 177.93 178.77 2oqs h LYS 44 N 0.43 0.32 0.42 5.26 1.79 -0.58 -3.32 116.57 120.89 2oqs h LYS 44 Ca 0.53 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 2oqs h LYS 44 Cb 0.96 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2oqs h LYS 44 CO -0.49 0.99 -0.20 0.22 -1.08 0.00 0.00 179.45 178.89 2oqs h ASP 45 N 0.19 -0.48 0.00 0.86 3.58 -0.11 -3.48 116.42 116.99 2oqs h ASP 45 Ca -0.05 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2oqs h ASP 45 Cb 1.46 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.63 2oqs h ASP 45 CO 0.14 -0.16 0.00 0.61 -2.88 0.00 0.00 179.24 176.95 2oqs n GLY 46 N -0.62 3.12 0.24 -0.78 0.00 0.34 -4.89 105.19 102.60 2oqs n GLY 46 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 0.88 0.80 -5.48 1.61 1.57 -1.92 -3.42 116.57 110.62 2oqs h LYS 47 Ca 0.00 -0.49 -0.61 0.00 -1.87 0.00 0.00 60.65 57.68 2oqs h LYS 47 Cb 0.00 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.24 2oqs h LYS 47 CO 0.00 1.12 0.12 -1.17 -0.57 0.00 0.00 179.45 178.96 2oqs s LEU 48 N -8.63 4.06 -0.02 2.94 0.20 -1.26 -5.06 118.68 110.91 2oqs s LEU 48 Ca -0.10 0.66 0.06 0.00 0.69 0.00 0.00 54.13 55.44 2oqs s LEU 48 Cb 0.11 -2.81 -0.01 0.00 -0.43 0.00 0.00 46.19 43.04 2oqs s LEU 48 CO 0.88 -0.36 -0.19 0.00 -0.29 0.00 0.00 176.35 176.39 2oqs s GLN 49 N 2.47 1.62 -0.33 1.98 0.00 -1.26 -4.63 119.66 119.51 2oqs s GLN 49 Ca 0.25 -0.67 -0.43 0.00 -0.00 0.00 0.00 55.36 54.51 2oqs s GLN 49 Cb -0.15 -1.52 -0.18 0.00 0.00 0.00 0.00 33.01 31.15 2oqs s GLN 49 CO 0.09 0.37 1.62 0.44 0.00 0.00 0.00 175.29 177.81 2oqs n ILE 50 N 2.73 0.14 0.00 3.63 -6.64 -1.26 -2.09 119.36 115.87 2oqs n ILE 50 Ca -0.16 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.80 2oqs n ILE 50 Cb 0.53 -0.82 0.00 0.00 -1.44 0.00 0.00 39.64 37.91 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 3.84 1.93 3.74 3.28 0.00 -0.73 -5.01 105.19 112.24 2oqs n GLY 51 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.93 4.03 0.04 1.61 1.47 -0.89 -4.83 116.67 116.17 2oqs s ASP 52 Ca 0.00 1.87 0.03 0.00 1.18 0.00 0.00 52.55 55.63 2oqs s ASP 52 Cb 0.00 -2.50 -0.04 0.00 -0.34 0.00 0.00 42.92 40.04 2oqs s ASP 52 CO 0.00 -2.35 -0.01 -0.75 0.68 0.00 0.00 175.17 172.75 2oqs s LYS 53 N -4.85 2.64 -0.34 2.11 2.20 -1.26 -3.33 119.74 116.91 2oqs s LYS 53 Ca 0.63 -0.73 -0.13 0.00 -0.36 0.00 0.00 55.97 55.38 2oqs s LYS 53 Cb -0.18 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.53 2oqs s LYS 53 CO 0.57 0.58 0.24 -0.51 -0.36 0.00 0.00 175.35 175.87 2oqs s LEU 54 N -1.89 4.53 -0.14 5.43 1.43 0.67 -1.79 118.68 126.92 2oqs s LEU 54 Ca 0.22 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 52.66 2oqs s LEU 54 Cb -0.12 -2.13 -0.19 0.00 0.03 0.00 0.00 46.19 43.78 2oqs s LEU 54 CO 0.14 -0.24 0.50 0.25 0.23 0.00 0.00 176.35 177.22 2oqs h LEU 55 N 8.49 0.00 -7.23 1.79 5.85 -0.39 -3.25 115.31 120.57 2oqs h LEU 55 Ca -0.31 -0.69 -0.07 0.00 0.84 0.00 0.00 57.88 57.65 2oqs h LEU 55 Cb 1.16 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.01 2oqs h LEU 55 CO 0.64 0.95 0.01 0.00 -0.34 0.00 0.00 178.44 179.70 2oqs s ALA 56 N -2.33 -1.30 -0.09 1.25 0.00 -0.37 -0.60 121.76 118.33 2oqs s ALA 56 Ca -0.16 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 2oqs s ALA 56 Cb -0.01 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.40 2oqs s ALA 56 CO 0.52 -0.44 0.02 0.08 0.00 0.00 0.00 175.76 175.94 2oqs s VAL 57 N -2.03 0.27 -1.25 0.00 1.01 0.35 0.15 120.40 118.90 2oqs s VAL 57 Ca -0.08 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2oqs s VAL 57 Cb -0.01 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.85 2oqs s VAL 57 CO 0.01 0.15 1.09 0.59 0.00 0.00 0.00 175.10 176.94 2oqs n ASN 58 N 5.17 -5.84 0.00 3.32 3.02 -1.17 -2.12 115.26 117.64 2oqs n ASN 58 Ca -0.06 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 2oqs n ASN 58 Cb 0.50 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 2oqs n ASN 58 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2oqs n ASN 59 N -2.70 0.00 -4.86 6.41 4.13 -1.26 -5.02 115.26 111.96 2oqs n ASN 59 Ca -0.01 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 2oqs n ASN 59 Cb 0.56 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.74 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2oqs s VAL 60 N -1.60 4.77 -0.09 2.41 -7.23 -0.90 -5.05 120.40 112.72 2oqs s VAL 60 Ca 0.00 0.78 -0.24 0.00 -1.81 0.00 0.00 61.98 60.72 2oqs s VAL 60 Cb 0.00 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 2oqs s VAL 60 CO 0.00 -0.11 0.73 0.00 -0.31 0.00 0.00 175.10 175.41 2oqs n LEU 62 N 4.08 5.69 -0.03 0.00 7.94 0.24 -4.33 117.00 130.58 2oqs n LEU 62 Ca -0.00 -3.30 0.03 0.00 -1.11 0.00 0.00 56.01 51.63 2oqs n LEU 62 Cb 0.51 -0.72 -0.12 0.00 0.53 0.00 0.00 43.42 43.62 2oqs n LEU 62 CO 0.47 0.87 -0.77 1.21 -1.11 0.00 0.00 177.39 178.06 2oqs n GLU 63 N -0.40 0.81 -2.52 1.96 2.13 -1.22 -2.13 120.64 119.27 2oqs n GLU 63 Ca 0.40 -0.10 -0.19 0.00 0.66 0.00 0.00 57.16 57.92 2oqs n GLU 63 Cb 1.32 -1.37 0.01 0.00 0.27 0.00 0.00 31.44 31.68 2oqs n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2oqs n GLU 64 N -2.19 2.59 -4.10 5.31 0.00 -1.26 -4.04 120.64 116.96 2oqs n GLU 64 Ca -0.09 -4.01 -0.10 0.00 0.00 0.00 0.00 57.16 52.97 2oqs n GLU 64 Cb 0.57 -1.88 -0.10 0.00 0.00 0.00 0.00 31.44 30.03 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 -4.56 0.44 0.93 6.31 -7.23 -1.26 -5.11 120.40 109.92 2oqs s VAL 65 Ca 0.40 -1.59 -0.16 0.00 -1.81 0.00 0.00 61.98 58.83 2oqs s VAL 65 Cb 0.42 -1.22 0.23 0.00 0.56 0.00 0.00 36.38 36.37 2oqs s VAL 65 CO -0.09 -0.76 0.80 0.41 -0.31 0.00 0.00 175.10 175.15 2oqs n THR 66 N 0.53 0.00 -0.12 5.32 -1.04 -1.26 -3.56 114.28 114.15 2oqs n THR 66 Ca -0.16 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.05 61.43 2oqs n THR 66 Cb 0.59 -1.13 0.04 0.00 -1.82 0.00 0.00 70.33 68.01 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 -2.50 1.02 -0.49 -1.42 2.76 -0.42 -2.82 115.15 111.27 2oqs h HIS 67 Ca -0.30 -0.24 0.10 0.00 -2.20 0.00 0.00 60.37 57.72 2oqs h HIS 67 Cb 0.94 -0.24 -0.09 0.00 1.55 0.00 0.00 27.41 29.57 2oqs h HIS 67 CO 0.00 1.02 -0.04 0.93 -1.30 0.00 0.00 177.93 178.54 2oqs h GLU 68 N 0.77 0.07 -0.24 5.26 4.39 -1.92 0.30 114.58 123.21 2oqs h GLU 68 Ca 0.10 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2oqs h GLU 68 Cb 0.77 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2oqs h GLU 68 CO 0.06 0.05 -0.10 1.49 -1.16 0.00 0.00 179.01 179.35 2oqs h GLU 69 N 0.07 0.39 -0.65 2.33 4.22 -1.89 0.22 114.58 119.27 2oqs h GLU 69 Ca 0.24 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.59 2oqs h GLU 69 Cb 0.37 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2oqs h GLU 69 CO -0.45 0.50 0.40 0.00 -2.18 0.00 0.00 179.01 177.28 2oqs h ALA 70 N 1.54 0.82 0.12 2.92 0.00 -0.72 -0.03 119.26 123.91 2oqs h ALA 70 Ca 0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 2oqs h ALA 70 Cb 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2oqs h ALA 70 CO 0.02 0.28 -1.24 0.28 0.00 0.00 0.00 179.25 178.59 2oqs h VAL 71 N 0.87 1.50 -0.44 0.00 2.07 -0.96 -2.92 116.25 116.37 2oqs h VAL 71 Ca 0.23 -3.08 -0.06 0.00 0.82 0.00 0.00 66.70 64.61 2oqs h VAL 71 Cb -0.05 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2oqs h VAL 71 CO -0.05 0.90 0.04 0.74 0.02 0.00 0.00 177.57 179.22 2oqs h THR 72 N 0.07 1.22 0.11 2.57 2.02 -0.32 0.10 112.91 118.69 2oqs h THR 72 Ca -0.13 -0.86 -0.27 0.00 0.77 0.00 0.00 66.41 65.92 2oqs h THR 72 Cb 1.96 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2oqs h THR 72 CO 0.20 0.30 -1.20 0.00 0.37 0.00 0.00 175.52 175.19 2oqs h ALA 73 N 1.38 0.12 -0.11 6.16 0.00 -1.08 -0.82 119.26 124.91 2oqs h ALA 73 Ca 0.14 -0.82 -0.15 0.00 0.00 0.00 0.00 54.91 54.08 2oqs h ALA 73 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2oqs h ALA 73 CO 0.01 0.86 -0.56 -0.07 0.00 0.00 0.00 179.25 179.49 2oqs h LEU 74 N 0.15 0.39 0.00 0.00 -0.00 -1.35 -3.05 115.31 111.44 2oqs h LEU 74 Ca -0.14 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2oqs h LEU 74 Cb 1.89 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 42.44 2oqs h LEU 74 CO 0.21 0.87 -0.39 0.07 -0.00 0.00 0.00 178.44 179.20 2oqs h LYS 75 N 0.27 0.00 -3.14 1.13 2.10 -0.83 -3.39 116.57 112.71 2oqs h LYS 75 Ca 0.00 0.00 -0.72 0.00 -2.00 0.00 0.00 60.65 57.93 2oqs h LYS 75 Cb 1.06 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.32 2oqs h LYS 75 CO 0.09 0.02 2.89 -1.71 -2.00 0.00 0.00 179.45 178.74 2oqs n ASN 76 N -2.95 6.99 -4.17 7.07 5.15 -0.32 -4.91 115.26 122.13 2oqs n ASN 76 Ca 0.02 -2.92 -0.19 0.00 -0.60 0.00 0.00 54.58 50.89 2oqs n ASN 76 Cb 0.55 -1.49 -0.13 0.00 -0.53 0.00 0.00 39.78 38.18 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 0.86 1.16 0.00 -0.44 -4.23 -1.26 -4.96 115.64 106.77 2oqs s THR 77 Ca 0.55 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2oqs s THR 77 Cb 0.16 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.92 2oqs s THR 77 CO -0.06 -0.11 0.00 -1.20 -0.54 0.00 0.00 174.62 172.71 2oqs n SER 78 N 1.54 0.00 -0.34 3.99 7.64 -1.26 -4.98 113.62 120.20 2oqs n SER 78 Ca -0.20 0.00 0.19 0.00 1.01 0.00 0.00 58.87 59.87 2oqs n SER 78 Cb 0.54 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.15 2oqs n SER 78 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2oqs h ASP 79 N 0.00 0.63 -1.77 6.43 2.03 -1.99 -3.41 116.42 118.34 2oqs h ASP 79 Ca 0.00 0.14 -0.60 0.00 -0.73 0.00 0.00 57.03 55.84 2oqs h ASP 79 Cb 0.00 0.05 -0.11 0.00 -0.83 0.00 0.00 39.33 38.44 2oqs h ASP 79 CO 0.00 0.06 -0.60 0.12 -1.03 0.00 0.00 179.24 177.79 2oqs s PHE 80 N -5.74 2.53 0.03 4.15 5.36 -1.26 -0.93 117.98 122.11 2oqs s PHE 80 Ca -0.10 -0.55 0.02 0.00 -0.96 0.00 0.00 56.93 55.33 2oqs s PHE 80 Cb 0.28 -1.67 -0.02 0.00 -0.34 0.00 0.00 43.02 41.27 2oqs s PHE 80 CO 0.80 0.42 -0.06 0.08 -1.46 0.00 0.00 175.22 175.00 2oqs s VAL 81 N -2.61 0.42 -0.03 3.12 1.01 0.48 -4.68 120.40 118.10 2oqs s VAL 81 Ca 0.36 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2oqs s VAL 81 Cb 0.04 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.99 2oqs s VAL 81 CO 0.19 -0.27 0.03 -0.47 0.00 0.00 0.00 175.10 174.58 2oqs s TYR 82 N -1.05 0.13 0.06 5.22 6.14 -1.26 -1.09 117.35 125.50 2oqs s TYR 82 Ca -0.08 0.13 0.04 0.00 0.64 0.00 0.00 57.07 57.80 2oqs s TYR 82 Cb -0.08 -0.37 -0.03 0.00 0.42 0.00 0.00 41.96 41.91 2oqs s TYR 82 CO 0.00 -0.14 -0.11 -1.17 0.64 0.00 0.00 175.55 174.77 2oqs s LEU 83 N 1.42 2.26 -0.10 6.97 0.20 -0.84 -3.06 118.68 125.52 2oqs s LEU 83 Ca -0.05 -0.57 0.04 0.00 0.69 0.00 0.00 54.13 54.24 2oqs s LEU 83 Cb -0.13 -0.36 0.00 0.00 -0.43 0.00 0.00 46.19 45.27 2oqs s LEU 83 CO -0.03 -0.13 -0.23 -0.54 -0.29 0.00 0.00 176.35 175.13 2oqs s LYS 84 N -1.62 2.97 -0.07 1.98 1.02 0.39 0.20 119.74 124.62 2oqs s LYS 84 Ca -0.05 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.10 2oqs s LYS 84 Cb -0.10 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2oqs s LYS 84 CO 0.01 0.17 -0.11 0.08 -0.92 0.00 0.00 175.35 174.58 2oqs s VAL 85 N 0.36 3.32 0.09 3.17 1.01 0.19 0.30 120.40 128.84 2oqs s VAL 85 Ca -0.19 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2oqs s VAL 85 Cb -0.18 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2oqs s VAL 85 CO 0.09 0.58 0.29 0.00 0.00 0.00 0.00 175.10 176.06 2oqs s ALA 86 N -0.62 3.89 -0.33 5.51 0.00 -0.74 -1.26 121.76 128.22 2oqs s ALA 86 Ca 0.09 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 2oqs s ALA 86 Cb -0.11 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.03 2oqs s ALA 86 CO 0.01 0.74 0.15 0.15 0.00 0.00 0.00 175.76 176.81 2oqs s LYS 87 N -2.47 3.00 1.11 0.00 1.02 -1.26 -4.18 119.74 116.96 2oqs s LYS 87 Ca 0.37 -0.94 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 2oqs s LYS 87 Cb -0.13 -3.57 0.25 0.00 -0.52 0.00 0.00 37.83 33.87 2oqs s LYS 87 CO 0.25 -0.56 1.05 -2.14 -0.92 0.00 0.00 175.35 173.03 2oqs s PRO 88 N 1.54 -0.48 -0.26 -1.68 0.02 -1.26 -5.03 135.00 127.85 2oqs s PRO 88 Ca 0.02 0.85 0.02 0.00 0.02 0.00 0.00 61.00 61.91 2oqs s PRO 88 Cb -0.18 -1.60 0.06 0.00 0.02 0.00 0.00 34.50 32.80 2oqs s PRO 88 CO 0.05 -3.43 -0.07 0.95 -0.33 0.00 0.00 177.00 174.17 2oqs s THR 89 N -2.58 1.89 -0.21 0.99 -4.23 -1.26 -5.10 115.64 105.14 2oqs s THR 89 Ca 0.68 -1.51 -0.24 0.00 -1.18 0.00 0.00 61.69 59.44 2oqs s THR 89 Cb -0.23 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 2oqs s THR 89 CO 0.63 -0.11 0.77 -0.83 -0.54 0.00 0.00 174.62 174.54 2oqs s GLY 90 N 1.22 1.96 -0.18 3.99 0.00 -1.26 -4.95 107.32 108.09 2oqs s GLY 90 Ca -0.06 -0.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.33 2oqs s GLY 90 CO -0.06 1.62 0.27 1.76 0.00 0.00 0.00 173.10 176.68 2oqs h SER 91 N 7.52 0.00 -0.03 1.64 0.02 -2.07 -3.58 113.55 117.05 2oqs h SER 91 Ca -0.28 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2oqs h SER 91 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2oqs h SER 91 CO 0.83 1.28 0.00 1.41 -1.14 0.00 0.00 176.83 179.21