#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 1.07 -0.01 0.03 1.03 -1.26 -0.90 118.70 118.66 2oqs s GLU 2 Ca 0.00 -1.44 -0.01 0.00 0.03 0.00 0.00 54.97 53.56 2oqs s GLU 2 Cb 0.00 -0.68 0.01 0.00 -0.80 0.00 0.00 34.13 32.66 2oqs s GLU 2 CO 0.00 0.09 0.03 0.42 -1.33 0.00 0.00 175.26 174.47 2oqs s ILE 3 N -3.17 -0.02 -0.79 1.83 1.09 -0.89 -5.01 121.20 114.23 2oqs s ILE 3 Ca 0.16 0.07 -0.14 0.00 -1.10 0.00 0.00 60.65 59.64 2oqs s ILE 3 Cb 0.01 -0.06 0.21 0.00 -1.06 0.00 0.00 42.46 41.56 2oqs s ILE 3 CO 0.01 0.03 0.74 -0.54 -0.10 0.00 0.00 174.94 175.08 2oqs s LYS 4 N 0.39 3.53 -0.17 2.79 -0.14 -1.26 -2.72 119.74 122.15 2oqs s LYS 4 Ca -0.03 -2.38 -0.20 0.00 -1.36 0.00 0.00 55.97 52.00 2oqs s LYS 4 Cb -0.05 -4.42 -0.03 0.00 -1.68 0.00 0.00 37.83 31.66 2oqs s LYS 4 CO -0.01 -1.30 0.58 -0.51 -0.76 0.00 0.00 175.35 173.35 2oqs s LEU 5 N 0.33 4.18 -0.13 3.17 1.43 -1.06 -4.97 118.68 121.64 2oqs s LEU 5 Ca 0.16 0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 53.88 2oqs s LEU 5 Cb -0.12 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2oqs s LEU 5 CO -0.08 -0.19 0.57 -0.51 0.23 0.00 0.00 176.35 176.38 2oqs s ILE 6 N 1.52 5.11 -0.16 -0.59 2.07 -1.26 -1.14 121.20 126.75 2oqs s ILE 6 Ca 0.28 1.12 -0.30 0.00 -1.41 0.00 0.00 60.65 60.35 2oqs s ILE 6 Cb -0.16 -3.90 -0.07 0.00 0.13 0.00 0.00 42.46 38.46 2oqs s ILE 6 CO 0.11 0.25 2.14 1.17 -1.91 0.00 0.00 174.94 176.69 2oqs n LYS 7 N 4.10 2.12 -2.65 3.50 3.00 0.21 -4.97 118.16 123.47 2oqs n LYS 7 Ca -0.04 0.66 -0.19 0.00 -0.00 0.00 0.00 58.31 58.73 2oqs n LYS 7 Cb 0.51 -3.07 0.08 0.00 0.00 0.00 0.00 35.03 32.55 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 5.45 1.38 1.94 3.14 0.00 -1.26 -4.97 105.19 110.87 2oqs n GLY 8 Ca 0.28 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.41 1.87 0.22 1.61 -0.02 -1.26 -3.97 135.00 131.03 2oqs n PRO 9 Ca 0.15 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 2oqs n PRO 9 Cb 0.55 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 2.35 0.00 0.00 -0.52 4.81 -1.26 -5.18 118.16 118.36 2oqs n LYS 10 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 2oqs n LYS 10 Cb 0.86 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.91 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 -1.38 0.19 0.10 3.14 0.00 -1.25 -4.93 105.19 101.06 2oqs n GLY 11 Ca 0.00 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 0.02 -1.06 0.99 3.38 -1.95 -3.37 115.31 113.32 2oqs h LEU 12 Ca 0.00 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 2oqs h LEU 12 Cb 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.76 2oqs h LEU 12 CO 0.00 1.39 -0.10 0.61 0.09 0.00 0.00 178.44 180.43 2oqs n GLY 13 N 1.49 0.70 1.65 0.83 0.00 -1.26 0.56 105.19 109.17 2oqs n GLY 13 Ca -0.27 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.76 -1.52 -4.42 1.61 1.16 -1.26 0.10 117.46 110.37 2oqs n PHE 14 Ca -0.00 -0.78 -0.21 0.00 -1.87 0.00 0.00 57.45 54.59 2oqs n PHE 14 Cb 0.51 0.39 -0.10 0.00 -1.61 0.00 0.00 39.48 38.67 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 -1.93 2.11 0.28 5.98 1.04 0.12 -4.86 113.70 116.44 2oqs s SER 15 Ca 0.07 -1.39 -0.17 0.00 0.48 0.00 0.00 55.95 54.94 2oqs s SER 15 Cb -0.02 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.11 2oqs s SER 15 CO 0.05 -0.65 0.63 0.27 0.98 0.00 0.00 173.24 174.52 2oqs s ILE 16 N -3.40 0.00 0.21 -1.02 -0.00 -1.26 -2.65 121.20 113.08 2oqs s ILE 16 Ca 0.36 -1.16 0.01 0.00 -0.00 0.00 0.00 60.65 59.86 2oqs s ILE 16 Cb 0.08 -2.17 -0.05 0.00 -0.00 0.00 0.00 42.46 40.33 2oqs s ILE 16 CO 0.15 0.00 0.07 0.00 -0.00 0.00 0.00 174.94 175.16 2oqs s ALA 17 N -3.79 1.46 0.00 2.27 0.00 0.13 -4.78 121.76 117.05 2oqs s ALA 17 Ca 0.16 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.40 2oqs s ALA 17 Cb -0.04 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.00 2oqs s ALA 17 CO 0.09 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2oqs n GLY 18 N -0.34 2.07 0.00 0.00 0.00 -1.25 -1.77 105.19 103.89 2oqs n GLY 18 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 2.74 3.76 -0.02 0.00 -1.02 -0.05 105.19 110.59 2oqs n GLY 19 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 2oqs n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oqs s VAL 20 N -2.84 2.54 0.00 1.61 -7.23 -1.26 -0.77 120.40 112.46 2oqs s VAL 20 Ca 0.00 0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 2oqs s VAL 20 Cb 0.00 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2oqs s VAL 20 CO 0.00 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2oqs n GLY 21 N 0.59 3.08 0.22 2.32 0.00 -1.26 -4.61 105.19 105.53 2oqs n GLY 21 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 0.57 -4.52 1.61 0.23 -1.03 -5.11 115.26 107.01 2oqs n ASN 22 Ca 0.00 -1.84 -0.49 0.00 -0.53 0.00 0.00 54.58 51.71 2oqs n ASN 22 Cb 0.00 -0.15 -0.04 0.00 -2.08 0.00 0.00 39.78 37.51 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oqs n GLN 23 N -0.27 0.70 0.04 -3.83 6.02 0.05 -3.95 117.38 116.14 2oqs n GLN 23 Ca 0.02 0.25 0.01 0.00 -0.01 0.00 0.00 57.00 57.27 2oqs n GLN 23 Cb 0.58 -1.58 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 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 2.38 0.00 -2.80 1.08 -0.00 -1.84 -3.47 115.15 110.51 2oqs h HIS 24 Ca -0.39 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 59.84 2oqs h HIS 24 Cb 1.38 0.00 -0.27 0.00 -0.00 0.00 0.00 27.41 28.53 2oqs h HIS 24 CO 0.50 0.54 -0.34 -1.50 -0.00 0.00 0.00 177.93 177.13 2oqs s ILE 25 N -2.95 -0.02 0.04 6.26 2.07 -1.26 -5.07 121.20 120.27 2oqs s ILE 25 Ca -0.03 0.07 -0.30 0.00 -1.41 0.00 0.00 60.65 58.98 2oqs s ILE 25 Cb 0.09 -0.53 -0.07 0.00 0.13 0.00 0.00 42.46 42.07 2oqs s ILE 25 CO 0.81 0.03 1.63 -2.16 -1.91 0.00 0.00 174.94 173.34 2oqs s PRO 26 N 0.98 4.20 0.00 3.50 0.04 -1.26 -2.98 135.00 139.48 2oqs s PRO 26 Ca -0.06 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2oqs s PRO 26 Cb -0.07 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2oqs s PRO 26 CO -0.08 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2oqs n GLY 27 N 3.99 2.49 2.95 0.56 0.00 -1.26 -5.05 105.19 108.87 2oqs n GLY 27 Ca 0.16 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.16 2.63 -0.03 1.61 -1.08 -1.16 -5.00 116.67 113.49 2oqs s ASP 28 Ca 0.00 -0.51 0.01 0.00 -0.52 0.00 0.00 52.55 51.53 2oqs s ASP 28 Cb 0.00 -1.01 0.09 0.00 -1.46 0.00 0.00 42.92 40.54 2oqs s ASP 28 CO 0.00 -0.12 0.64 0.59 0.52 0.00 0.00 175.17 176.80 2oqs n ASN 29 N 4.84 1.52 -3.51 -0.34 4.13 -1.26 -4.37 115.26 116.28 2oqs n ASN 29 Ca -0.14 -2.10 -0.29 0.00 1.68 0.00 0.00 54.58 53.73 2oqs n ASN 29 Cb 0.49 -0.52 0.24 0.00 -1.54 0.00 0.00 39.78 38.45 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 0.07 -2.11 -4.56 6.41 7.64 -1.26 -2.44 113.62 117.37 2oqs n SER 30 Ca 0.03 -1.14 -0.39 0.00 1.01 0.00 0.00 58.87 58.39 2oqs n SER 30 Cb 0.35 -0.97 -0.11 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.89 5.25 0.01 0.44 1.09 -0.62 -4.11 121.20 120.38 2oqs s ILE 31 Ca 0.68 0.00 0.05 0.00 -1.10 0.00 0.00 60.65 60.29 2oqs s ILE 31 Cb -0.07 -3.58 -0.03 0.00 -1.06 0.00 0.00 42.46 37.72 2oqs s ILE 31 CO 0.52 0.15 -0.13 -0.31 -0.10 0.00 0.00 174.94 175.07 2oqs s TYR 32 N 1.74 2.70 -0.09 3.97 1.51 -0.73 0.94 117.35 127.39 2oqs s TYR 32 Ca 0.07 -0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 55.67 2oqs s TYR 32 Cb -0.17 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 2oqs s TYR 32 CO 0.10 0.28 0.98 0.08 -1.11 0.00 0.00 175.55 175.88 2oqs s VAL 33 N -0.90 4.81 -0.14 0.71 1.01 -1.20 0.21 120.40 124.89 2oqs s VAL 33 Ca 0.15 2.00 0.19 0.00 0.00 0.00 0.00 61.98 64.32 2oqs s VAL 33 Cb -0.11 -4.30 -0.28 0.00 0.00 0.00 0.00 36.38 31.70 2oqs s VAL 33 CO 0.05 0.04 0.20 1.07 0.00 0.00 0.00 175.10 176.46 2oqs n THR 34 N 4.43 0.93 -3.65 3.92 5.66 -1.09 -2.49 114.28 121.99 2oqs n THR 34 Ca 0.08 -0.73 -0.03 0.00 -3.05 0.00 0.00 64.05 60.31 2oqs n THR 34 Cb 0.49 -0.31 -0.05 0.00 -1.55 0.00 0.00 70.33 68.91 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 -2.81 0.55 -0.29 1.09 1.02 -1.26 -4.97 119.74 113.06 2oqs s LYS 35 Ca -0.09 1.36 -0.15 0.00 0.02 0.00 0.00 55.97 57.11 2oqs s LYS 35 Cb 0.08 0.71 -0.03 0.00 -0.52 0.00 0.00 37.83 38.07 2oqs s LYS 35 CO 0.85 -0.20 0.37 0.42 -0.92 0.00 0.00 175.35 175.87 2oqs s ILE 36 N 2.71 5.17 -0.40 2.17 1.01 -1.26 0.12 121.20 130.72 2oqs s ILE 36 Ca -0.06 0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 2oqs s ILE 36 Cb -0.11 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2oqs s ILE 36 CO -0.18 0.08 1.13 -0.63 0.00 0.00 0.00 174.94 175.34 2oqs s ILE 37 N 2.07 4.32 0.28 2.92 1.09 0.28 -4.94 121.20 127.23 2oqs s ILE 37 Ca 0.14 1.44 -0.16 0.00 -1.10 0.00 0.00 60.65 60.97 2oqs s ILE 37 Cb -0.16 -4.49 -0.12 0.00 -1.06 0.00 0.00 42.46 36.63 2oqs s ILE 37 CO 0.11 -0.75 0.11 1.21 -0.10 0.00 0.00 174.94 175.51 2oqs n GLU 38 N 7.41 0.00 -1.04 2.79 2.13 -1.26 -1.25 120.64 129.42 2oqs n GLU 38 Ca 0.12 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.93 2oqs n GLU 38 Cb 0.48 -0.74 -0.01 0.00 0.27 0.00 0.00 31.44 31.45 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oqs n GLY 39 N 1.69 0.38 3.97 8.31 0.00 -1.26 -5.00 105.19 113.28 2oqs n GLY 39 Ca 0.09 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.12 1.81 0.17 -0.02 0.00 -0.38 -4.84 107.32 101.95 2oqs s GLY 40 Ca 0.00 -1.31 -0.22 0.00 0.00 0.00 0.00 44.72 43.19 2oqs s GLY 40 CO 0.00 -1.04 1.60 0.00 0.00 0.00 0.00 173.10 173.66 2oqs h ALA 41 N 0.12 -0.10 0.05 3.20 0.00 -0.04 0.30 119.26 122.78 2oqs h ALA 41 Ca -0.42 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2oqs h ALA 41 Cb 1.29 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2oqs h ALA 41 CO 0.52 -0.69 -0.03 0.00 0.00 0.00 0.00 179.25 179.06 2oqs h ALA 42 N 0.88 -0.07 -0.48 0.00 0.00 -1.87 -1.23 119.26 116.49 2oqs h ALA 42 Ca 0.19 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2oqs h ALA 42 Cb 0.53 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2oqs h ALA 42 CO -0.56 -0.42 0.00 1.25 0.00 0.00 0.00 179.25 179.52 2oqs h HIS 43 N -0.32 -0.03 -0.72 0.00 6.17 -1.72 0.91 115.15 119.44 2oqs h HIS 43 Ca -0.01 0.04 -0.07 0.00 0.71 0.00 0.00 60.37 61.04 2oqs h HIS 43 Cb 0.29 0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.27 2oqs h HIS 43 CO 0.01 -0.11 0.18 0.87 0.71 0.00 0.00 177.93 179.59 2oqs h LYS 44 N 0.12 1.15 0.14 5.26 1.57 -0.39 -3.10 116.57 121.30 2oqs h LYS 44 Ca 0.24 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2oqs h LYS 44 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2oqs h LYS 44 CO -0.40 1.01 -0.06 0.22 -0.57 0.00 0.00 179.45 179.64 2oqs h ASP 45 N 1.09 -0.15 0.00 0.86 1.82 -0.12 -3.47 116.42 116.44 2oqs h ASP 45 Ca 0.23 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2oqs h ASP 45 Cb 0.37 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2oqs h ASP 45 CO 0.00 -0.05 0.00 0.61 -1.61 0.00 0.00 179.24 178.20 2oqs n GLY 46 N -0.98 3.03 0.13 -0.78 0.00 0.21 -4.87 105.19 101.93 2oqs n GLY 46 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 2.25 0.29 -5.76 1.61 3.64 -1.91 -3.44 116.57 113.26 2oqs h LYS 47 Ca 0.00 -0.36 -0.58 0.00 -1.27 0.00 0.00 60.65 58.44 2oqs h LYS 47 Cb 0.00 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.85 2oqs h LYS 47 CO 0.00 1.08 0.10 -1.17 -2.27 0.00 0.00 179.45 177.19 2oqs s LEU 48 N -7.45 4.19 0.02 5.20 0.20 -1.26 -5.06 118.68 114.52 2oqs s LEU 48 Ca -0.04 0.92 0.03 0.00 0.69 0.00 0.00 54.13 55.73 2oqs s LEU 48 Cb 0.09 -2.93 -0.02 0.00 -0.43 0.00 0.00 46.19 42.91 2oqs s LEU 48 CO 0.86 -0.22 -0.09 0.00 -0.29 0.00 0.00 176.35 176.60 2oqs s GLN 49 N 1.57 0.67 -0.21 1.98 0.00 -1.26 -4.68 119.66 117.73 2oqs s GLN 49 Ca 0.31 -0.54 -0.40 0.00 -0.00 0.00 0.00 55.36 54.73 2oqs s GLN 49 Cb -0.16 -0.60 -0.17 0.00 0.00 0.00 0.00 33.01 32.08 2oqs s GLN 49 CO 0.12 0.15 1.61 0.44 0.00 0.00 0.00 175.29 177.61 2oqs n ILE 50 N 2.22 0.19 0.00 3.63 -6.64 -1.26 -2.10 119.36 115.40 2oqs n ILE 50 Ca -0.17 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.77 2oqs n ILE 50 Cb 0.56 -1.01 0.00 0.00 -1.44 0.00 0.00 39.64 37.75 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 3.68 1.75 3.74 3.28 0.00 -1.04 -5.02 105.19 111.58 2oqs n GLY 51 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.69 4.33 0.09 1.61 1.47 -0.89 -4.84 116.67 116.74 2oqs s ASP 52 Ca 0.00 2.07 0.06 0.00 1.18 0.00 0.00 52.55 55.86 2oqs s ASP 52 Cb 0.00 -2.55 -0.04 0.00 -0.34 0.00 0.00 42.92 39.99 2oqs s ASP 52 CO 0.00 -2.16 -0.07 -1.59 0.68 0.00 0.00 175.17 172.04 2oqs s LYS 53 N -4.37 2.30 -0.46 2.11 0.00 -1.26 -3.25 119.74 114.81 2oqs s LYS 53 Ca 0.67 -0.93 -0.13 0.00 0.00 0.00 0.00 55.97 55.58 2oqs s LYS 53 Cb -0.22 -2.40 0.08 0.00 0.00 0.00 0.00 37.83 35.30 2oqs s LYS 53 CO 0.49 0.53 0.35 -0.51 0.00 0.00 0.00 175.35 176.22 2oqs s LEU 54 N -2.14 5.52 -0.06 2.77 1.43 0.27 -3.50 118.68 122.97 2oqs s LEU 54 Ca 0.22 -1.47 -0.26 0.00 -1.03 0.00 0.00 54.13 51.59 2oqs s LEU 54 Cb -0.11 -2.10 -0.22 0.00 0.03 0.00 0.00 46.19 43.78 2oqs s LEU 54 CO 0.14 -0.63 1.10 0.25 0.23 0.00 0.00 176.35 177.44 2oqs h LEU 55 N 8.62 0.06 -7.42 1.79 6.46 -0.03 -3.31 115.31 121.49 2oqs h LEU 55 Ca -0.26 -0.68 -0.09 0.00 -0.12 0.00 0.00 57.88 56.73 2oqs h LEU 55 Cb 1.10 -0.02 -0.18 0.00 -0.73 0.00 0.00 40.66 40.83 2oqs h LEU 55 CO 0.85 0.73 -0.16 0.00 -0.62 0.00 0.00 178.44 179.23 2oqs s ALA 56 N -3.51 -0.95 -0.21 1.25 0.00 -0.85 -0.30 121.76 117.19 2oqs s ALA 56 Ca -0.17 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 2oqs s ALA 56 Cb 0.00 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.38 2oqs s ALA 56 CO 0.69 -0.36 0.04 0.08 0.00 0.00 0.00 175.76 176.21 2oqs s VAL 57 N -1.87 0.63 -1.10 0.00 1.01 0.39 0.29 120.40 119.75 2oqs s VAL 57 Ca -0.09 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2oqs s VAL 57 Cb -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2oqs s VAL 57 CO 0.02 -0.26 0.93 0.59 0.00 0.00 0.00 175.10 176.37 2oqs n ASN 58 N 5.00 -2.86 0.00 3.32 3.02 -0.81 -2.50 115.26 120.44 2oqs n ASN 58 Ca -0.08 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 2oqs n ASN 58 Cb 0.46 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 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 -4.88 6.41 2.85 -1.26 -5.01 115.26 110.53 2oqs n ASN 59 Ca -0.20 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 53.94 2oqs n ASN 59 Cb 0.63 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.60 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 -1.99 5.07 -0.06 3.44 -7.23 -1.04 -5.07 120.40 113.52 2oqs s VAL 60 Ca 0.00 0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 60.24 2oqs s VAL 60 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2oqs s VAL 60 CO 0.00 0.09 0.73 0.00 -0.31 0.00 0.00 175.10 175.62 2oqs n LEU 62 N 3.78 6.76 0.00 0.00 7.94 0.59 -4.30 117.00 131.78 2oqs n LEU 62 Ca -0.00 -3.91 0.00 0.00 -1.11 0.00 0.00 56.01 50.99 2oqs n LEU 62 Cb 0.51 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.61 2oqs n LEU 62 CO 0.48 1.26 -0.28 1.21 -1.11 0.00 0.00 177.39 178.95 2oqs n GLU 63 N -1.05 2.52 -1.80 1.96 2.13 -1.25 -1.59 120.64 121.56 2oqs n GLU 63 Ca 0.58 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 58.19 2oqs n GLU 63 Cb 1.24 -0.75 0.05 0.00 0.27 0.00 0.00 31.44 32.25 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2oqs n GLU 64 N -1.08 3.31 -4.10 5.31 4.71 -1.26 -4.11 120.64 123.42 2oqs n GLU 64 Ca 0.00 -4.02 -0.09 0.00 -0.01 0.00 0.00 57.16 53.05 2oqs n GLU 64 Cb 0.00 -2.19 -0.10 0.00 -1.01 0.00 0.00 31.44 28.13 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 -4.42 0.37 0.50 2.62 -7.23 -1.26 -5.12 120.40 105.86 2oqs s VAL 65 Ca 0.50 -1.71 -0.08 0.00 -1.81 0.00 0.00 61.98 58.88 2oqs s VAL 65 Cb 0.41 -1.38 0.12 0.00 0.56 0.00 0.00 36.38 36.09 2oqs s VAL 65 CO 0.02 -0.87 0.43 0.41 -0.31 0.00 0.00 175.10 174.79 2oqs n THR 66 N 0.31 0.00 -0.11 5.32 -1.04 -1.26 -2.96 114.28 114.53 2oqs n THR 66 Ca -0.15 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 61.55 2oqs n THR 66 Cb 0.60 -1.04 -0.02 0.00 -1.82 0.00 0.00 70.33 68.05 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 -2.05 1.10 -0.64 -1.42 2.76 -0.78 -2.77 115.15 111.36 2oqs h HIS 67 Ca -0.16 -0.34 0.13 0.00 -2.20 0.00 0.00 60.37 57.80 2oqs h HIS 67 Cb 0.51 -0.23 -0.11 0.00 1.55 0.00 0.00 27.41 29.13 2oqs h HIS 67 CO 0.00 1.17 0.02 0.93 -1.30 0.00 0.00 177.93 178.74 2oqs h GLU 68 N 0.74 0.13 -0.34 5.26 4.39 -1.93 0.20 114.58 123.02 2oqs h GLU 68 Ca 0.05 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 2oqs h GLU 68 Cb 1.01 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 2oqs h GLU 68 CO 0.10 0.08 -0.09 0.93 -1.16 0.00 0.00 179.01 178.88 2oqs h GLU 69 N 0.13 0.57 -0.71 2.33 3.07 -1.90 0.16 114.58 118.23 2oqs h GLU 69 Ca 0.34 -0.16 0.02 0.00 -0.50 0.00 0.00 59.36 59.06 2oqs h GLU 69 Cb 0.55 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 2oqs h GLU 69 CO -0.54 0.65 0.45 0.00 -1.40 0.00 0.00 179.01 178.18 2oqs h ALA 70 N 1.38 0.92 0.13 3.43 0.00 -0.37 0.63 119.26 125.38 2oqs h ALA 70 Ca 0.10 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.70 2oqs h ALA 70 Cb 0.47 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2oqs h ALA 70 CO 0.03 0.26 -1.26 0.28 0.00 0.00 0.00 179.25 178.55 2oqs h VAL 71 N 0.90 1.48 -0.79 0.00 2.07 -0.94 -2.88 116.25 116.09 2oqs h VAL 71 Ca 0.28 -3.05 -0.05 0.00 0.82 0.00 0.00 66.70 64.70 2oqs h VAL 71 Cb -0.02 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 2oqs h VAL 71 CO -0.09 0.89 0.30 0.74 0.02 0.00 0.00 177.57 179.43 2oqs h THR 72 N 0.08 1.26 -0.06 2.57 2.02 -0.35 0.14 112.91 118.57 2oqs h THR 72 Ca -0.14 -0.85 -0.22 0.00 0.77 0.00 0.00 66.41 65.97 2oqs h THR 72 Cb 1.98 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2oqs h THR 72 CO 0.21 0.34 -0.87 0.00 0.37 0.00 0.00 175.52 175.57 2oqs h ALA 73 N 1.16 0.36 -0.20 6.16 0.00 -0.97 0.40 119.26 126.18 2oqs h ALA 73 Ca 0.26 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2oqs h ALA 73 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2oqs h ALA 73 CO -0.02 0.74 -0.39 -0.07 0.00 0.00 0.00 179.25 179.52 2oqs h LEU 74 N 0.35 0.47 0.00 0.00 -0.00 -1.34 -2.79 115.31 112.00 2oqs h LEU 74 Ca -0.07 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2oqs h LEU 74 Cb 1.49 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 2oqs h LEU 74 CO 0.16 0.81 -0.30 0.07 -0.00 0.00 0.00 178.44 179.18 2oqs h LYS 75 N 0.37 0.00 -3.04 1.13 2.10 -0.66 -3.39 116.57 113.09 2oqs h LYS 75 Ca 0.04 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 58.01 2oqs h LYS 75 Cb 0.85 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.19 2oqs h LYS 75 CO 0.07 0.00 3.69 -1.71 -2.00 0.00 0.00 179.45 179.50 2oqs n ASN 76 N -2.36 8.39 -4.09 7.07 5.15 0.12 -4.86 115.26 124.69 2oqs n ASN 76 Ca 0.04 -2.64 -0.32 0.00 -0.60 0.00 0.00 54.58 51.06 2oqs n ASN 76 Cb 0.46 -1.55 -0.16 0.00 -0.53 0.00 0.00 39.78 38.00 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 1.95 2.01 0.00 -0.44 -4.23 -1.26 -4.98 115.64 108.69 2oqs s THR 77 Ca 0.67 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2oqs s THR 77 Cb 0.18 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 72.10 2oqs s THR 77 CO -0.06 0.37 0.00 -1.20 -0.54 0.00 0.00 174.62 173.18 2oqs n SER 78 N 4.59 0.00 -0.12 3.99 7.64 -1.26 -4.92 113.62 123.54 2oqs n SER 78 Ca -0.18 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.48 2oqs n SER 78 Cb 0.48 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.56 2oqs n SER 78 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2oqs n ASP 79 N -0.47 1.98 -4.39 6.43 5.75 -1.26 -4.77 116.55 119.82 2oqs n ASP 79 Ca 0.00 0.02 -0.19 0.00 -0.01 0.00 0.00 54.79 54.61 2oqs n ASP 79 Cb 0.00 -0.56 -0.10 0.00 -1.03 0.00 0.00 41.12 39.43 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2oqs s PHE 80 N -2.52 1.79 -0.07 2.11 0.40 -1.26 -0.62 117.98 117.81 2oqs s PHE 80 Ca -0.35 -1.03 -0.03 0.00 -0.60 0.00 0.00 56.93 54.92 2oqs s PHE 80 Cb 0.10 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.56 2oqs s PHE 80 CO 0.58 -0.11 0.12 0.54 0.70 0.00 0.00 175.22 177.05 2oqs s VAL 81 N -3.46 -0.19 -0.59 -0.44 0.11 -0.29 -4.81 120.40 110.72 2oqs s VAL 81 Ca 0.36 0.37 -0.17 0.00 -2.93 0.00 0.00 61.98 59.61 2oqs s VAL 81 Cb 0.08 -0.24 0.12 0.00 -1.53 0.00 0.00 36.38 34.82 2oqs s VAL 81 CO 0.14 0.16 0.63 -0.47 -3.33 0.00 0.00 175.10 172.23 2oqs s TYR 82 N 2.17 3.15 -0.09 1.54 6.14 -1.26 -2.58 117.35 126.43 2oqs s TYR 82 Ca 0.03 -1.18 -0.22 0.00 0.64 0.00 0.00 57.07 56.35 2oqs s TYR 82 Cb -0.12 -3.92 -0.04 0.00 0.42 0.00 0.00 41.96 38.31 2oqs s TYR 82 CO -0.05 -1.16 0.64 -1.17 0.64 0.00 0.00 175.55 174.45 2oqs s LEU 83 N 2.07 4.29 -0.06 6.97 0.20 -1.10 -1.92 118.68 129.12 2oqs s LEU 83 Ca 0.09 1.06 0.05 0.00 0.69 0.00 0.00 54.13 56.02 2oqs s LEU 83 Cb -0.25 -2.97 -0.02 0.00 -0.43 0.00 0.00 46.19 42.52 2oqs s LEU 83 CO 0.04 -0.10 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.25 2oqs s LYS 84 N 0.86 2.59 -0.02 1.98 -0.14 0.15 -2.10 119.74 123.05 2oqs s LYS 84 Ca 0.34 -0.82 0.07 0.00 -1.36 0.00 0.00 55.97 54.20 2oqs s LYS 84 Cb -0.17 -2.27 -0.02 0.00 -1.68 0.00 0.00 37.83 33.69 2oqs s LYS 84 CO 0.15 0.46 -0.24 0.08 -0.76 0.00 0.00 175.35 175.04 2oqs s VAL 85 N -0.33 1.87 0.18 3.17 1.01 -0.08 0.66 120.40 126.89 2oqs s VAL 85 Ca 0.02 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 2oqs s VAL 85 Cb -0.13 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.63 2oqs s VAL 85 CO 0.02 0.53 0.58 0.00 0.00 0.00 0.00 175.10 176.23 2oqs s ALA 86 N -0.49 3.54 -0.29 5.51 0.00 -1.23 -4.31 121.76 124.49 2oqs s ALA 86 Ca 0.07 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 2oqs s ALA 86 Cb -0.10 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 2oqs s ALA 86 CO -0.00 0.45 0.54 0.21 0.00 0.00 0.00 175.76 176.95 2oqs s LYS 87 N -2.21 3.94 0.70 0.00 2.47 -1.26 -4.70 119.74 118.68 2oqs s LYS 87 Ca 0.41 0.22 -0.13 0.00 -1.56 0.00 0.00 55.97 54.91 2oqs s LYS 87 Cb -0.14 -3.70 0.02 0.00 -1.46 0.00 0.00 37.83 32.55 2oqs s LYS 87 CO 0.20 -0.46 1.11 -1.25 0.16 0.00 0.00 175.35 175.10 2oqs s PRO 88 N 2.39 2.58 0.03 4.03 0.04 -1.26 -5.07 135.00 137.73 2oqs s PRO 88 Ca 0.21 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2oqs s PRO 88 Cb -0.15 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2oqs s PRO 88 CO 0.11 -1.42 -0.07 0.99 0.04 0.00 0.00 177.00 176.65 2oqs s THR 89 N -2.54 0.50 0.00 1.26 2.01 -1.26 -5.13 115.64 110.49 2oqs s THR 89 Ca 0.65 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2oqs s THR 89 Cb -0.19 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2oqs s THR 89 CO 0.47 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 2oqs n GLY 90 N 1.92 4.00 0.12 4.40 0.00 -1.26 -5.02 105.19 109.35 2oqs n GLY 90 Ca -0.20 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 0.49 0.00 1.61 4.64 -2.09 -3.58 113.55 114.63 2oqs h SER 91 Ca 0.00 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2oqs h SER 91 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2oqs h SER 91 CO 0.00 1.36 0.00 1.41 -0.87 0.00 0.00 176.83 178.73