#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 4.50 -0.32 2.12 1.03 -1.26 -0.22 118.70 124.55 2oqs s GLU 2 Ca 0.00 1.46 -0.00 0.00 0.03 0.00 0.00 54.97 56.46 2oqs s GLU 2 Cb 0.00 -2.83 0.13 0.00 -0.80 0.00 0.00 34.13 30.63 2oqs s GLU 2 CO 0.00 0.17 0.26 0.42 -1.33 0.00 0.00 175.26 174.78 2oqs s ILE 3 N -1.52 -0.21 0.06 1.83 1.01 0.24 -4.91 121.20 117.70 2oqs s ILE 3 Ca 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2oqs s ILE 3 Cb -0.22 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2oqs s ILE 3 CO 0.28 -0.66 0.20 -1.59 0.00 0.00 0.00 174.94 173.17 2oqs s LYS 4 N 1.84 3.40 0.24 2.79 -2.85 -1.26 -2.18 119.74 121.72 2oqs s LYS 4 Ca 0.13 -0.45 -0.10 0.00 -1.00 0.00 0.00 55.97 54.54 2oqs s LYS 4 Cb -0.16 -3.02 -0.01 0.00 -2.06 0.00 0.00 37.83 32.58 2oqs s LYS 4 CO -0.21 0.61 0.42 -0.51 0.10 0.00 0.00 175.35 175.76 2oqs s LEU 5 N -2.47 0.51 -0.19 2.77 1.02 -1.06 -4.98 118.68 114.28 2oqs s LEU 5 Ca 0.34 -1.05 -0.16 0.00 0.02 0.00 0.00 54.13 53.29 2oqs s LEU 5 Cb -0.13 1.50 -0.04 0.00 0.02 0.00 0.00 46.19 47.54 2oqs s LEU 5 CO 0.27 -1.10 0.39 -0.51 0.02 0.00 0.00 176.35 175.42 2oqs s ILE 6 N -3.98 5.21 0.12 -0.59 2.07 -1.26 -2.72 121.20 120.05 2oqs s ILE 6 Ca 0.26 0.70 -0.31 0.00 -1.41 0.00 0.00 60.65 59.89 2oqs s ILE 6 Cb 0.01 -3.72 -0.10 0.00 0.13 0.00 0.00 42.46 38.77 2oqs s ILE 6 CO 0.10 0.27 1.81 -0.75 -1.91 0.00 0.00 174.94 174.47 2oqs s LYS 7 N 1.17 4.14 0.59 3.50 2.47 -0.09 -5.00 119.74 126.52 2oqs s LYS 7 Ca 0.19 2.57 0.10 0.00 -1.56 0.00 0.00 55.97 57.27 2oqs s LYS 7 Cb -0.15 -3.58 0.10 0.00 -1.46 0.00 0.00 37.83 32.74 2oqs s LYS 7 CO 0.08 -0.83 0.81 0.20 0.16 0.00 0.00 175.35 175.76 2oqs s GLY 8 N 2.64 1.72 -0.01 5.54 0.00 -1.26 -4.96 107.32 111.00 2oqs s GLY 8 Ca 0.80 -2.17 -0.04 0.00 0.00 0.00 0.00 44.72 43.31 2oqs s GLY 8 CO 0.36 -1.73 2.99 -1.05 0.00 0.00 0.00 173.10 173.67 2oqs n PRO 9 N -2.28 1.62 0.20 2.90 -0.02 -1.26 -3.92 135.00 132.24 2oqs n PRO 9 Ca 0.16 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 2oqs n PRO 9 Cb 0.62 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 2.09 0.00 0.00 -0.52 4.81 -1.26 -5.18 118.16 118.11 2oqs n LYS 10 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2oqs n LYS 10 Cb 0.75 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.80 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 -0.14 0.26 0.08 3.14 0.00 -1.25 -4.93 105.19 102.35 2oqs n GLY 11 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.10 0.99 4.07 -1.95 -3.41 115.31 114.91 2oqs h LEU 12 Ca 0.00 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.57 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2oqs h LEU 12 CO 0.00 1.04 0.00 0.61 -1.08 0.00 0.00 178.44 179.01 2oqs n GLY 13 N 1.57 1.02 2.62 0.83 0.00 -1.26 0.26 105.19 110.24 2oqs n GLY 13 Ca -0.16 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.56 -1.78 -4.59 1.61 1.16 -1.26 0.68 117.46 110.72 2oqs n PHE 14 Ca 0.00 -1.42 -0.27 0.00 -1.87 0.00 0.00 57.45 53.89 2oqs n PHE 14 Cb 0.30 0.60 -0.11 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 -2.50 3.53 0.23 5.98 1.04 0.20 -4.90 113.70 117.28 2oqs s SER 15 Ca 0.14 -1.39 -0.20 0.00 0.48 0.00 0.00 55.95 54.98 2oqs s SER 15 Cb -0.03 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.85 2oqs s SER 15 CO 0.10 -0.51 0.61 0.27 0.98 0.00 0.00 173.24 174.69 2oqs s ILE 16 N -2.86 0.01 0.18 -1.02 -4.36 -1.26 -2.81 121.20 109.08 2oqs s ILE 16 Ca 0.34 -0.78 -0.00 0.00 -0.26 0.00 0.00 60.65 59.94 2oqs s ILE 16 Cb 0.09 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 2oqs s ILE 16 CO 0.17 -0.04 0.08 0.00 0.24 0.00 0.00 174.94 175.39 2oqs s ALA 17 N -3.88 1.14 0.00 2.27 0.00 0.87 -4.76 121.76 117.39 2oqs s ALA 17 Ca 0.10 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2oqs s ALA 17 Cb -0.03 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.16 2oqs s ALA 17 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2oqs n GLY 18 N -0.22 2.77 0.00 0.00 0.00 -1.15 -1.79 105.19 104.80 2oqs n GLY 18 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2oqs n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqs n GLY 19 N -0.18 2.39 3.77 -0.02 0.00 -0.63 0.18 105.19 110.70 2oqs n GLY 19 Ca 0.00 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2oqs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqs s VAL 20 N -2.92 2.42 0.00 1.61 0.11 -1.26 0.70 120.40 121.06 2oqs s VAL 20 Ca 0.00 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2oqs s VAL 20 Cb 0.00 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 2oqs s VAL 20 CO 0.00 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2oqs n GLY 21 N 0.65 3.05 0.33 6.54 0.00 -1.26 -4.61 105.19 109.88 2oqs n GLY 21 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.06 0.66 -4.68 1.61 2.04 -0.98 -5.11 115.26 108.87 2oqs n ASN 22 Ca 0.00 -2.18 -0.38 0.00 -0.44 0.00 0.00 54.58 51.57 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 0.00 -0.44 0.00 0.00 177.26 176.82 2oqs n GLN 23 N -0.38 1.29 0.08 -3.83 6.02 0.22 -2.94 117.38 117.83 2oqs n GLN 23 Ca 0.04 0.48 0.05 0.00 -0.01 0.00 0.00 57.00 57.56 2oqs n GLN 23 Cb 0.65 -2.34 -0.03 0.00 1.02 0.00 0.00 30.24 29.53 2oqs n GLN 23 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2oqs h HIS 24 N 1.00 0.00 -2.94 1.08 -0.00 -1.81 -3.45 115.15 109.02 2oqs h HIS 24 Ca -0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 59.74 2oqs h HIS 24 Cb 1.34 0.00 -0.24 0.00 -0.00 0.00 0.00 27.41 28.50 2oqs h HIS 24 CO 0.42 0.32 -0.33 -1.50 -0.00 0.00 0.00 177.93 176.84 2oqs s ILE 25 N -3.11 0.00 0.09 6.26 2.07 -1.26 -5.06 121.20 120.20 2oqs s ILE 25 Ca -0.01 -0.03 -0.31 0.00 -1.41 0.00 0.00 60.65 58.89 2oqs s ILE 25 Cb 0.09 -0.47 -0.08 0.00 0.13 0.00 0.00 42.46 42.12 2oqs s ILE 25 CO 0.79 -0.02 1.57 -2.16 -1.91 0.00 0.00 174.94 173.22 2oqs s PRO 26 N 0.08 4.23 0.00 3.50 0.04 -1.26 -2.49 135.00 139.10 2oqs s PRO 26 Ca -0.01 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2oqs s PRO 26 Cb -0.02 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2oqs s PRO 26 CO 0.01 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2oqs n GLY 27 N 3.83 3.09 2.85 0.56 0.00 -1.26 -5.02 105.19 109.25 2oqs n GLY 27 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.14 2.99 -0.08 1.61 2.15 -1.04 -5.00 116.67 116.17 2oqs s ASP 28 Ca 0.00 -0.78 0.08 0.00 0.43 0.00 0.00 52.55 52.28 2oqs s ASP 28 Cb 0.00 -0.86 0.37 0.00 -0.30 0.00 0.00 42.92 42.14 2oqs s ASP 28 CO 0.00 -0.23 1.16 0.59 -0.17 0.00 0.00 175.17 176.53 2oqs n ASN 29 N 4.89 2.86 -3.51 -0.34 4.13 -1.26 -4.06 115.26 117.96 2oqs n ASN 29 Ca -0.11 -2.30 -0.27 0.00 1.68 0.00 0.00 54.58 53.57 2oqs n ASN 29 Cb 0.47 -0.47 0.22 0.00 -1.54 0.00 0.00 39.78 38.46 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2oqs n SER 30 N 0.39 -1.66 -4.48 6.41 7.64 -1.26 -1.60 113.62 119.06 2oqs n SER 30 Ca 0.13 -1.17 -0.43 0.00 1.01 0.00 0.00 58.87 58.42 2oqs n SER 30 Cb 0.58 -0.93 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.96 5.16 -0.02 0.44 -1.09 -0.67 -4.07 121.20 117.98 2oqs s ILE 31 Ca 0.66 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.70 2oqs s ILE 31 Cb -0.06 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2oqs s ILE 31 CO 0.50 -0.33 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.52 2oqs s TYR 32 N 1.95 2.95 -0.25 3.97 1.51 -0.74 0.80 117.35 127.56 2oqs s TYR 32 Ca 0.09 0.01 -0.29 0.00 -1.01 0.00 0.00 57.07 55.88 2oqs s TYR 32 Cb -0.18 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 2oqs s TYR 32 CO 0.12 0.39 1.03 0.08 -1.11 0.00 0.00 175.55 176.06 2oqs s VAL 33 N -0.97 4.67 -0.18 0.71 1.01 -1.21 -0.09 120.40 124.34 2oqs s VAL 33 Ca 0.16 1.95 0.19 0.00 0.00 0.00 0.00 61.98 64.28 2oqs s VAL 33 Cb -0.11 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 2oqs s VAL 33 CO 0.06 -0.22 0.94 0.00 0.00 0.00 0.00 175.10 175.88 2oqs h THR 34 N 5.49 0.26 -1.72 3.92 1.03 -1.82 -2.55 112.91 117.53 2oqs h THR 34 Ca -0.20 -1.52 0.08 0.00 -0.01 0.00 0.00 66.41 64.76 2oqs h THR 34 Cb 1.06 1.79 -0.23 0.00 -1.07 0.00 0.00 68.15 69.70 2oqs h THR 34 CO 0.98 0.15 0.15 -0.54 -0.01 0.00 0.00 175.52 176.25 2oqs s LYS 35 N -3.13 0.53 -0.23 0.00 1.02 -1.26 -4.96 119.74 111.70 2oqs s LYS 35 Ca -0.02 1.00 -0.09 0.00 0.02 0.00 0.00 55.97 56.88 2oqs s LYS 35 Cb 0.09 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.62 2oqs s LYS 35 CO 0.80 -0.13 0.13 0.42 -0.92 0.00 0.00 175.35 175.65 2oqs s ILE 36 N 1.81 5.09 0.39 2.17 1.01 -1.26 0.59 121.20 130.99 2oqs s ILE 36 Ca -0.08 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 2oqs s ILE 36 Cb -0.06 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 2oqs s ILE 36 CO -0.18 0.36 0.97 -0.63 0.00 0.00 0.00 174.94 175.46 2oqs s ILE 37 N 1.06 4.18 0.61 2.92 1.09 0.21 -4.96 121.20 126.32 2oqs s ILE 37 Ca 0.06 1.57 -0.19 0.00 -1.10 0.00 0.00 60.65 60.99 2oqs s ILE 37 Cb -0.14 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.47 2oqs s ILE 37 CO 0.04 -0.09 1.28 -0.62 -0.10 0.00 0.00 174.94 175.46 2oqs n GLU 38 N -0.11 1.29 -1.55 2.79 1.02 -1.26 -2.33 120.64 120.49 2oqs n GLU 38 Ca 0.05 0.49 -0.17 0.00 -0.02 0.00 0.00 57.16 57.51 2oqs n GLU 38 Cb 0.52 -2.51 -0.07 0.00 -0.02 0.00 0.00 31.44 29.36 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oqs n GLY 39 N 0.90 1.51 3.96 0.62 0.00 -1.26 -4.96 105.19 105.96 2oqs n GLY 39 Ca 0.14 0.00 -0.24 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 -2.43 1.76 0.16 -0.02 0.00 -0.98 -4.79 107.32 101.01 2oqs s GLY 40 Ca 0.00 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 2oqs s GLY 40 CO 0.00 -0.82 1.61 0.00 0.00 0.00 0.00 173.10 173.89 2oqs h ALA 41 N -0.35 -0.20 0.09 3.20 0.00 -0.41 0.32 119.26 121.92 2oqs h ALA 41 Ca -0.42 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2oqs h ALA 41 Cb 1.30 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2oqs h ALA 41 CO 0.53 -0.72 -0.05 0.00 0.00 0.00 0.00 179.25 179.01 2oqs h ALA 42 N 0.72 -0.13 -0.78 0.00 0.00 -1.88 -1.41 119.26 115.79 2oqs h ALA 42 Ca 0.15 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.02 2oqs h ALA 42 Cb 0.53 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 42 CO -0.48 -0.35 0.26 1.25 0.00 0.00 0.00 179.25 179.93 2oqs h HIS 43 N -0.57 0.43 -0.05 0.00 6.17 -1.73 0.19 115.15 119.60 2oqs h HIS 43 Ca -0.01 0.04 -0.21 0.00 0.71 0.00 0.00 60.37 60.90 2oqs h HIS 43 Cb 0.47 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.33 2oqs h HIS 43 CO 0.07 -0.03 -0.85 0.87 0.71 0.00 0.00 177.93 178.69 2oqs h LYS 44 N 0.35 0.47 0.28 5.26 1.57 -0.40 -3.31 116.57 120.78 2oqs h LYS 44 Ca 0.45 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2oqs h LYS 44 Cb 0.77 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2oqs h LYS 44 CO -0.49 1.09 -0.13 0.22 -0.57 0.00 0.00 179.45 179.57 2oqs h ASP 45 N 0.29 -0.32 0.00 0.86 3.58 0.00 -3.47 116.42 117.37 2oqs h ASP 45 Ca -0.06 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2oqs h ASP 45 Cb 1.47 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.60 2oqs h ASP 45 CO 0.15 -0.06 0.00 0.61 -2.88 0.00 0.00 179.24 177.06 2oqs n GLY 46 N -0.69 3.06 0.28 -0.78 0.00 0.54 -4.88 105.19 102.71 2oqs n GLY 46 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2oqs n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2oqs h LYS 47 N 0.85 0.99 -5.69 1.61 3.64 -1.92 -3.42 116.57 112.63 2oqs h LYS 47 Ca 0.00 -0.33 -0.59 0.00 -1.27 0.00 0.00 60.65 58.46 2oqs h LYS 47 Cb 0.00 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.65 2oqs h LYS 47 CO 0.00 1.01 0.01 -1.17 -2.27 0.00 0.00 179.45 177.03 2oqs s LEU 48 N -9.31 4.19 -0.01 5.20 0.20 -1.26 -5.06 118.68 112.63 2oqs s LEU 48 Ca -0.12 0.83 0.05 0.00 0.69 0.00 0.00 54.13 55.58 2oqs s LEU 48 Cb 0.13 -2.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.05 2oqs s LEU 48 CO 0.85 -0.17 -0.15 0.00 -0.29 0.00 0.00 176.35 176.59 2oqs s GLN 49 N 1.42 1.23 -0.21 1.98 0.00 -1.26 -4.65 119.66 118.17 2oqs s GLN 49 Ca 0.28 -0.57 -0.40 0.00 -0.00 0.00 0.00 55.36 54.67 2oqs s GLN 49 Cb -0.16 -1.19 -0.16 0.00 0.00 0.00 0.00 33.01 31.50 2oqs s GLN 49 CO 0.11 0.33 1.64 0.44 0.00 0.00 0.00 175.29 177.81 2oqs n ILE 50 N 2.64 0.22 0.00 3.63 -6.64 -1.26 -2.15 119.36 115.80 2oqs n ILE 50 Ca -0.15 -0.04 0.00 0.00 -1.77 0.00 0.00 62.75 60.79 2oqs n ILE 50 Cb 0.55 -1.08 0.00 0.00 -1.44 0.00 0.00 39.64 37.67 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 3.78 2.05 3.76 3.28 0.00 -0.96 -5.01 105.19 112.09 2oqs n GLY 51 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.91 4.10 0.07 1.61 1.47 -0.91 -4.85 116.67 116.25 2oqs s ASP 52 Ca 0.00 1.56 0.06 0.00 1.18 0.00 0.00 52.55 55.35 2oqs s ASP 52 Cb 0.00 -2.27 -0.04 0.00 -0.34 0.00 0.00 42.92 40.27 2oqs s ASP 52 CO 0.00 -2.25 -0.11 -1.59 0.68 0.00 0.00 175.17 171.89 2oqs s LYS 53 N -4.98 2.20 -0.49 2.11 0.00 -1.26 -3.29 119.74 114.03 2oqs s LYS 53 Ca 0.62 -0.96 -0.17 0.00 0.00 0.00 0.00 55.97 55.46 2oqs s LYS 53 Cb -0.17 -2.32 0.07 0.00 0.00 0.00 0.00 37.83 35.41 2oqs s LYS 53 CO 0.56 0.53 0.48 -0.51 0.00 0.00 0.00 175.35 176.41 2oqs s LEU 54 N -1.89 5.41 0.00 2.77 1.43 0.24 -1.14 118.68 125.50 2oqs s LEU 54 Ca 0.19 -1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 51.84 2oqs s LEU 54 Cb -0.11 -2.27 -0.19 0.00 0.03 0.00 0.00 46.19 43.65 2oqs s LEU 54 CO 0.11 -0.74 1.35 0.25 0.23 0.00 0.00 176.35 177.55 2oqs h LEU 55 N 9.09 -0.02 -7.30 1.79 6.46 0.49 -3.31 115.31 122.51 2oqs h LEU 55 Ca -0.28 -0.38 -0.06 0.00 -0.12 0.00 0.00 57.88 57.05 2oqs h LEU 55 Cb 1.10 0.01 -0.14 0.00 -0.73 0.00 0.00 40.66 40.90 2oqs h LEU 55 CO 0.91 0.37 -0.02 0.00 -0.62 0.00 0.00 178.44 179.08 2oqs s ALA 56 N -4.64 -1.12 -0.11 1.25 0.00 0.86 -0.22 121.76 117.78 2oqs s ALA 56 Ca -0.15 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 2oqs s ALA 56 Cb 0.02 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.76 2oqs s ALA 56 CO 0.66 -0.58 0.13 0.08 0.00 0.00 0.00 175.76 176.05 2oqs s VAL 57 N -3.19 -0.21 -1.18 0.00 1.01 0.34 0.80 120.40 117.99 2oqs s VAL 57 Ca -0.01 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 2oqs s VAL 57 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2oqs s VAL 57 CO -0.08 0.03 0.80 0.59 0.00 0.00 0.00 175.10 176.45 2oqs n ASN 58 N 5.31 -5.51 0.00 3.32 3.02 -1.12 -2.33 115.26 117.95 2oqs n ASN 58 Ca -0.05 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 2oqs n ASN 58 Cb 0.50 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.04 0.00 -4.86 6.41 5.15 -1.26 -5.03 115.26 113.62 2oqs n ASN 59 Ca -0.03 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.61 2oqs n ASN 59 Cb 0.57 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.76 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2oqs s VAL 60 N -2.00 4.97 0.01 3.44 -7.23 -0.98 -5.06 120.40 113.54 2oqs s VAL 60 Ca 0.00 0.55 -0.28 0.00 -1.81 0.00 0.00 61.98 60.44 2oqs s VAL 60 Cb 0.00 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 2oqs s VAL 60 CO 0.00 0.14 0.88 0.00 -0.31 0.00 0.00 175.10 175.80 2oqs n LEU 62 N 3.52 5.91 -0.00 0.00 7.94 0.69 -4.31 117.00 130.76 2oqs n LEU 62 Ca 0.02 -3.40 0.01 0.00 -1.11 0.00 0.00 56.01 51.54 2oqs n LEU 62 Cb 0.51 -0.75 -0.02 0.00 0.53 0.00 0.00 43.42 43.69 2oqs n LEU 62 CO 0.50 0.93 -0.43 -1.84 -1.11 0.00 0.00 177.39 175.44 2oqs n GLU 63 N -0.60 1.27 -1.90 1.96 -0.00 -1.24 -1.68 120.64 118.46 2oqs n GLU 63 Ca 0.44 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.16 57.42 2oqs n GLU 63 Cb 1.40 -0.98 0.05 0.00 -0.00 0.00 0.00 31.44 31.91 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 -1.49 3.03 -4.18 3.44 4.71 -1.26 -4.17 120.64 120.72 2oqs n GLU 64 Ca -0.00 -3.92 -0.11 0.00 -0.01 0.00 0.00 57.16 53.11 2oqs n GLU 64 Cb 0.07 -2.06 -0.10 0.00 -1.01 0.00 0.00 31.44 28.34 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2oqs s VAL 65 N -4.21 0.72 0.93 2.62 -7.23 -1.26 -5.10 120.40 106.86 2oqs s VAL 65 Ca 0.46 -1.95 -0.12 0.00 -1.81 0.00 0.00 61.98 58.56 2oqs s VAL 65 Cb 0.39 -1.73 0.15 0.00 0.56 0.00 0.00 36.38 35.75 2oqs s VAL 65 CO 0.01 -0.83 1.11 0.42 -0.31 0.00 0.00 175.10 175.49 2oqs s THR 66 N -3.61 2.31 0.30 5.32 -4.23 -1.26 -3.66 115.64 110.81 2oqs s THR 66 Ca 0.13 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 2oqs s THR 66 Cb 0.05 -2.70 0.29 0.00 1.34 0.00 0.00 72.50 71.48 2oqs s THR 66 CO -0.04 -0.13 1.86 -0.74 -0.54 0.00 0.00 174.62 175.03 2oqs h HIS 67 N -1.60 1.06 -0.62 3.99 2.76 -0.58 -1.70 115.15 118.46 2oqs h HIS 67 Ca -0.51 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 57.81 2oqs h HIS 67 Cb 1.31 -0.34 -0.09 0.00 1.55 0.00 0.00 27.41 29.84 2oqs h HIS 67 CO 0.34 0.45 0.09 0.93 -1.30 0.00 0.00 177.93 178.45 2oqs h GLU 68 N 0.95 0.21 -0.44 5.26 4.39 -1.92 0.46 114.58 123.49 2oqs h GLU 68 Ca 0.46 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.11 2oqs h GLU 68 Cb 0.46 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2oqs h GLU 68 CO -0.22 0.14 0.11 0.93 -1.16 0.00 0.00 179.01 178.80 2oqs h GLU 69 N 0.21 0.66 -0.79 2.33 4.39 -1.66 0.94 114.58 120.66 2oqs h GLU 69 Ca 0.33 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.94 2oqs h GLU 69 Cb 0.52 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 2oqs h GLU 69 CO -0.46 0.60 0.51 0.00 -1.16 0.00 0.00 179.01 178.50 2oqs h ALA 70 N 1.48 1.04 0.11 3.43 0.00 -0.68 -0.47 119.26 124.18 2oqs h ALA 70 Ca 0.15 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 2oqs h ALA 70 Cb 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2oqs h ALA 70 CO -0.00 0.32 -1.27 0.28 0.00 0.00 0.00 179.25 178.58 2oqs h VAL 71 N 0.99 1.46 -0.57 0.00 2.07 -1.05 -2.93 116.25 116.23 2oqs h VAL 71 Ca 0.32 -3.06 -0.05 0.00 0.82 0.00 0.00 66.70 64.73 2oqs h VAL 71 Cb 0.01 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 2oqs h VAL 71 CO -0.11 0.89 0.17 0.74 0.02 0.00 0.00 177.57 179.28 2oqs h THR 72 N 0.06 1.22 0.15 2.57 2.02 -0.46 0.10 112.91 118.58 2oqs h THR 72 Ca -0.14 -0.77 -0.29 0.00 0.77 0.00 0.00 66.41 65.98 2oqs h THR 72 Cb 1.96 0.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2oqs h THR 72 CO 0.19 0.29 -1.28 0.00 0.37 0.00 0.00 175.52 175.09 2oqs h ALA 73 N 1.35 0.05 -0.01 6.16 0.00 -1.18 -1.81 119.26 123.81 2oqs h ALA 73 Ca 0.19 -0.86 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 2oqs h ALA 73 Cb 0.25 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2oqs h ALA 73 CO -0.01 0.89 -0.64 -0.07 0.00 0.00 0.00 179.25 179.42 2oqs h LEU 74 N 0.11 0.05 0.00 0.00 -0.00 -1.37 -3.07 115.31 111.03 2oqs h LEU 74 Ca -0.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.68 2oqs h LEU 74 Cb 1.99 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 42.64 2oqs h LEU 74 CO 0.22 0.67 -0.56 0.07 -0.00 0.00 0.00 178.44 178.84 2oqs h LYS 75 N 0.03 0.00 -3.81 1.13 2.10 -0.84 -3.40 116.57 111.78 2oqs h LYS 75 Ca -0.01 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.00 2oqs h LYS 75 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2oqs h LYS 75 CO 0.09 0.04 3.06 -1.71 -2.00 0.00 0.00 179.45 178.92 2oqs n ASN 76 N -2.90 4.82 -4.19 7.07 5.15 -0.68 -4.88 115.26 119.65 2oqs n ASN 76 Ca 0.01 -2.68 -0.20 0.00 -0.60 0.00 0.00 54.58 51.11 2oqs n ASN 76 Cb 0.57 -1.45 -0.13 0.00 -0.53 0.00 0.00 39.78 38.24 2oqs n ASN 76 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2oqs s THR 77 N 3.39 1.24 0.00 -0.44 -4.23 -1.26 -4.99 115.64 109.34 2oqs s THR 77 Ca 0.53 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 2oqs s THR 77 Cb 0.15 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2oqs s THR 77 CO -0.03 -0.11 0.00 -1.20 -0.54 0.00 0.00 174.62 172.74 2oqs n SER 78 N 1.45 0.00 -0.10 3.99 7.64 -1.26 -5.03 113.62 120.31 2oqs n SER 78 Ca -0.20 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.54 2oqs n SER 78 Cb 0.54 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 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 -1.82 1.93 -4.37 6.43 9.92 -1.26 -4.75 116.55 122.63 2oqs n ASP 79 Ca 0.00 0.35 -0.19 0.00 -0.53 0.00 0.00 54.79 54.42 2oqs n ASP 79 Cb 0.00 -0.77 -0.10 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 -2.76 1.77 -0.07 1.24 0.40 -1.26 -0.91 117.98 116.39 2oqs s PHE 80 Ca -0.30 -0.67 -0.03 0.00 -0.60 0.00 0.00 56.93 55.33 2oqs s PHE 80 Cb 0.06 -0.93 0.04 0.00 0.51 0.00 0.00 43.02 42.70 2oqs s PHE 80 CO 0.43 0.27 0.12 0.54 0.70 0.00 0.00 175.22 177.28 2oqs s VAL 81 N -3.06 -0.20 -0.60 -0.44 0.11 -1.10 -4.90 120.40 110.22 2oqs s VAL 81 Ca 0.26 0.39 -0.16 0.00 -2.93 0.00 0.00 61.98 59.53 2oqs s VAL 81 Cb 0.02 -0.23 0.14 0.00 -1.53 0.00 0.00 36.38 34.78 2oqs s VAL 81 CO 0.09 0.16 0.58 -0.47 -3.33 0.00 0.00 175.10 172.13 2oqs s TYR 82 N 2.24 3.28 0.09 1.54 6.14 -1.26 -2.55 117.35 126.84 2oqs s TYR 82 Ca 0.04 -1.34 -0.20 0.00 0.64 0.00 0.00 57.07 56.21 2oqs s TYR 82 Cb -0.12 -3.85 -0.07 0.00 0.42 0.00 0.00 41.96 38.34 2oqs s TYR 82 CO -0.05 -1.07 0.60 -1.17 0.64 0.00 0.00 175.55 174.50 2oqs s LEU 83 N 1.59 4.52 -0.26 6.97 2.96 -0.93 -2.78 118.68 130.76 2oqs s LEU 83 Ca 0.07 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.31 2oqs s LEU 83 Cb -0.26 -2.98 0.06 0.00 0.50 0.00 0.00 46.19 43.50 2oqs s LEU 83 CO 0.02 0.25 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.66 2oqs s LYS 84 N -1.18 2.33 -0.13 1.98 1.02 0.24 0.82 119.74 124.82 2oqs s LYS 84 Ca 0.31 -1.30 -0.05 0.00 0.02 0.00 0.00 55.97 54.95 2oqs s LYS 84 Cb -0.20 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 2oqs s LYS 84 CO 0.20 -0.55 0.05 0.08 -0.92 0.00 0.00 175.35 174.21 2oqs s VAL 85 N 1.14 4.75 0.18 3.17 1.01 0.70 0.11 120.40 131.45 2oqs s VAL 85 Ca -0.07 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 2oqs s VAL 85 Cb -0.19 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 2oqs s VAL 85 CO -0.05 0.55 0.62 0.00 0.00 0.00 0.00 175.10 176.22 2oqs s ALA 86 N -0.40 3.51 -0.22 5.51 0.00 -0.29 -0.89 121.76 128.97 2oqs s ALA 86 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 2oqs s ALA 86 Cb -0.12 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 2oqs s ALA 86 CO 0.02 0.40 -0.02 0.21 0.00 0.00 0.00 175.76 176.37 2oqs s LYS 87 N -1.99 3.46 0.48 0.00 2.20 -1.26 -4.21 119.74 118.41 2oqs s LYS 87 Ca 0.40 -0.58 -0.22 0.00 -0.36 0.00 0.00 55.97 55.21 2oqs s LYS 87 Cb -0.15 -3.06 -0.07 0.00 -1.51 0.00 0.00 37.83 33.03 2oqs s LYS 87 CO 0.20 -0.15 1.12 -1.25 -0.36 0.00 0.00 175.35 174.91 2oqs s PRO 88 N 1.39 3.72 0.00 4.03 0.04 -1.26 -4.96 135.00 137.96 2oqs s PRO 88 Ca 0.05 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2oqs s PRO 88 Cb -0.14 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2oqs s PRO 88 CO -0.01 -0.56 0.00 2.41 0.04 0.00 0.00 177.00 178.88 2oqs n THR 89 N -0.70 0.00 -0.00 1.26 -1.04 -1.26 -5.18 114.28 107.36 2oqs n THR 89 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2oqs n THR 89 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 1.08 -0.57 0.13 3.41 0.00 -1.26 -5.00 105.19 102.98 2oqs n GLY 90 Ca 0.00 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 2oqs n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oqs n SER 91 N -0.22 2.01 0.00 1.61 7.64 -1.26 -5.35 113.62 118.05 2oqs n SER 91 Ca 0.00 0.22 0.03 0.00 1.01 0.00 0.00 58.87 60.13 2oqs n SER 91 Cb 0.00 -0.81 0.20 0.00 -1.01 0.00 0.00 64.21 62.60 2oqs n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03