#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqb s SER 25 N 0.00 0.36 0.17 1.61 1.04 -1.26 -5.23 113.70 110.39 2oqb s SER 25 Ca 0.00 -0.87 -0.14 0.00 0.48 0.00 0.00 55.95 55.42 2oqb s SER 25 Cb 0.00 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2oqb s SER 25 CO 0.00 -0.64 0.41 -1.38 0.98 0.00 0.00 173.24 172.61 2oqb s HIS 26 N -3.85 0.04 0.16 5.02 -0.00 -1.26 -5.17 115.29 110.24 2oqb s HIS 26 Ca 0.06 -0.40 -0.08 0.00 -0.00 0.00 0.00 55.06 54.64 2oqb s HIS 26 Cb 0.07 0.20 -0.06 0.00 -0.00 0.00 0.00 32.58 32.79 2oqb s HIS 26 CO -0.10 -0.80 0.46 -1.64 -0.00 0.00 0.00 174.74 172.66 2oqb s MET 27 N -3.89 3.74 0.11 -0.38 1.00 -1.26 -5.11 119.30 113.51 2oqb s MET 27 Ca 0.10 0.14 -0.10 0.00 0.00 0.00 0.00 55.69 55.83 2oqb s MET 27 Cb 0.01 -2.81 0.00 0.00 0.00 0.00 0.00 34.83 32.04 2oqb s MET 27 CO -0.04 0.43 0.25 0.00 0.00 0.00 0.00 175.02 175.66 2oqb s ALA 28 N -1.66 -0.34 -0.09 3.03 0.00 -1.26 -5.16 121.76 116.28 2oqb s ALA 28 Ca 0.42 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 2oqb s ALA 28 Cb -0.12 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2oqb s ALA 28 CO 0.22 -0.56 0.09 0.99 0.00 0.00 0.00 175.76 176.50 2oqb s THR 29 N -3.87 5.05 -0.18 0.00 2.01 -1.26 -5.09 115.64 112.30 2oqb s THR 29 Ca 0.07 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2oqb s THR 29 Cb 0.04 -3.20 0.03 0.00 0.01 0.00 0.00 72.50 69.38 2oqb s THR 29 CO -0.09 0.56 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.57 2oqb s VAL 30 N -1.03 1.77 -0.22 3.82 1.01 -1.26 -4.44 120.40 120.05 2oqb s VAL 30 Ca 0.16 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 2oqb s VAL 30 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2oqb s VAL 30 CO 0.06 0.37 0.27 -0.44 0.00 0.00 0.00 175.10 175.35 2oqb s SER 31 N 1.38 6.26 -0.12 3.32 0.01 -0.63 -4.93 113.70 119.00 2oqb s SER 31 Ca 0.02 0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.60 2oqb s SER 31 Cb -0.14 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2oqb s SER 31 CO -0.10 0.00 -0.19 -0.69 0.41 0.00 0.00 173.24 172.66 2oqb s VAL 32 N 1.17 2.46 -0.47 3.43 1.01 -1.26 -0.54 120.40 126.20 2oqb s VAL 32 Ca 0.13 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2oqb s VAL 32 Cb -0.14 -1.98 0.13 0.00 0.00 0.00 0.00 36.38 34.38 2oqb s VAL 32 CO 0.06 0.54 0.23 -0.36 0.00 0.00 0.00 175.10 175.57 2oqb s PHE 33 N 0.39 2.66 0.70 5.22 0.40 0.67 -4.98 117.98 123.04 2oqb s PHE 33 Ca -0.15 -2.80 -0.14 0.00 -0.60 0.00 0.00 56.93 53.24 2oqb s PHE 33 Cb -0.17 -2.40 0.02 0.00 0.51 0.00 0.00 43.02 40.98 2oqb s PHE 33 CO 0.07 -0.78 1.12 -2.14 0.70 0.00 0.00 175.22 174.19 2oqb s PRO 34 N 0.13 2.54 -0.11 0.24 0.02 -1.26 -1.54 135.00 135.01 2oqb s PRO 34 Ca 0.17 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2oqb s PRO 34 Cb -0.25 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2oqb s PRO 34 CO -0.01 -1.46 0.00 0.41 -0.33 0.00 0.00 177.00 175.61 2oqb n GLY 35 N -0.48 0.48 3.84 0.52 0.00 -0.56 -4.58 105.19 104.41 2oqb n GLY 35 Ca 0.11 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 2oqb n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqb s ALA 36 N -2.03 2.89 0.09 4.61 0.00 0.03 -3.86 121.76 123.50 2oqb s ALA 36 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.02 2oqb s ALA 36 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2oqb s ALA 36 CO 0.00 -0.91 -0.09 1.03 0.00 0.00 0.00 175.76 175.79 2oqb s ARG 37 N -4.99 0.82 -0.10 0.00 0.52 -0.12 -1.24 118.95 113.84 2oqb s ARG 37 Ca 0.57 -1.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 2oqb s ARG 37 Cb -0.13 -0.47 0.02 0.00 0.52 0.00 0.00 34.95 34.89 2oqb s ARG 37 CO 0.52 0.07 -0.13 -1.17 0.02 0.00 0.00 175.30 174.61 2oqb s LEU 38 N -2.45 1.59 -0.09 2.53 2.96 -0.95 -1.10 118.68 121.16 2oqb s LEU 38 Ca 0.05 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2oqb s LEU 38 Cb -0.02 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 2oqb s LEU 38 CO -0.01 -0.02 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.10 2oqb s LEU 39 N 1.11 2.66 -0.20 -0.68 1.43 0.07 -1.74 118.68 121.33 2oqb s LEU 39 Ca -0.05 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 2oqb s LEU 39 Cb -0.14 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2oqb s LEU 39 CO -0.03 0.24 0.43 -0.89 0.23 0.00 0.00 176.35 176.34 2oqb s THR 40 N -0.11 5.18 -0.10 5.49 2.01 -0.71 -0.50 115.64 126.89 2oqb s THR 40 Ca -0.02 0.78 -0.23 0.00 0.31 0.00 0.00 61.69 62.53 2oqb s THR 40 Cb -0.14 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2oqb s THR 40 CO 0.04 0.24 0.68 -0.63 -0.69 0.00 0.00 174.62 174.25 2oqb s ILE 41 N 1.35 5.04 -0.16 1.82 1.01 -0.61 -3.67 121.20 125.99 2oqb s ILE 41 Ca 0.21 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.24 2oqb s ILE 41 Cb -0.15 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.33 2oqb s ILE 41 CO 0.08 0.22 -0.17 -0.83 0.00 0.00 0.00 174.94 174.24 2oqb s GLY 42 N 0.87 1.25 -0.22 6.18 0.00 -0.88 -4.37 107.32 110.16 2oqb s GLY 42 Ca 0.35 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2oqb s GLY 42 CO 0.16 0.38 -0.16 0.51 0.00 0.00 0.00 173.10 173.99 2oqb s ASP 43 N 1.36 3.71 0.00 1.64 -4.77 -1.26 -1.55 116.67 115.79 2oqb s ASP 43 Ca 0.04 -0.98 0.00 0.00 -3.30 0.00 0.00 52.55 48.31 2oqb s ASP 43 Cb -0.13 -1.50 0.00 0.00 -1.09 0.00 0.00 42.92 40.20 2oqb s ASP 43 CO -0.11 -0.09 0.00 0.00 0.70 0.00 0.00 175.17 175.67 2oqb n ALA 44 N 4.54 0.46 -0.51 2.11 0.00 -1.26 -4.95 120.51 120.90 2oqb n ALA 44 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2oqb n ALA 44 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2oqb n ALA 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2oqb n ASN 45 N -0.81 0.20 0.00 0.00 6.94 -1.26 -5.10 115.26 115.23 2oqb n ASN 45 Ca 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 54.58 53.81 2oqb n ASN 45 Cb 0.00 0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 2oqb n ASN 45 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2oqb n GLY 46 N 0.08 0.49 3.72 4.83 0.00 -1.26 -5.15 105.19 107.90 2oqb n GLY 46 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2oqb n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oqb s GLU 47 N 0.00 1.04 -0.52 1.61 0.41 -1.26 -4.85 118.70 115.12 2oqb s GLU 47 Ca 0.00 0.65 -0.26 0.00 -0.41 0.00 0.00 54.97 54.95 2oqb s GLU 47 Cb 0.00 -1.80 -0.05 0.00 -1.78 0.00 0.00 34.13 30.50 2oqb s GLU 47 CO 0.00 -2.35 2.20 0.42 -0.49 0.00 0.00 175.26 175.05 2oqb s ILE 48 N -3.00 3.14 -0.53 -1.63 -1.09 -1.26 -4.54 121.20 112.29 2oqb s ILE 48 Ca 0.64 0.08 -0.21 0.00 -2.23 0.00 0.00 60.65 58.93 2oqb s ILE 48 Cb -0.18 -3.35 0.05 0.00 -1.58 0.00 0.00 42.46 37.41 2oqb s ILE 48 CO 0.57 -0.33 0.75 -1.10 -1.23 0.00 0.00 174.94 173.60 2oqb s GLN 49 N 7.75 3.20 -0.96 2.79 -0.21 -0.60 -4.74 119.66 126.90 2oqb s GLN 49 Ca 0.87 -0.65 -0.24 0.00 0.02 0.00 0.00 55.36 55.36 2oqb s GLN 49 Cb -0.16 -4.08 0.00 0.00 1.00 0.00 0.00 33.01 29.77 2oqb s GLN 49 CO 0.24 -1.33 1.69 1.03 -2.12 0.00 0.00 175.29 174.80 2oqb s ARG 50 N 3.16 3.07 0.35 2.91 0.52 -1.25 -2.08 118.95 125.64 2oqb s ARG 50 Ca 0.21 -0.69 0.11 0.00 -0.52 0.00 0.00 55.73 54.84 2oqb s ARG 50 Cb -0.17 -5.20 0.64 0.00 0.52 0.00 0.00 34.95 30.74 2oqb s ARG 50 CO 0.15 -2.78 1.78 0.45 0.02 0.00 0.00 175.30 174.92 2oqb h HIS 51 N 10.57 0.06 -3.96 -0.53 3.86 -1.92 -3.44 115.15 119.79 2oqb h HIS 51 Ca 0.14 -0.01 -0.25 0.00 -1.16 0.00 0.00 60.37 59.09 2oqb h HIS 51 Cb 1.01 -0.01 -0.20 0.00 1.06 0.00 0.00 27.41 29.26 2oqb h HIS 51 CO 1.25 0.44 -0.72 0.00 0.86 0.00 0.00 177.93 179.76 2oqb s ALA 52 N -4.14 0.54 -0.45 2.45 0.00 -1.26 -4.96 121.76 113.93 2oqb s ALA 52 Ca -0.03 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.18 2oqb s ALA 52 Cb 0.14 0.08 0.28 0.00 0.00 0.00 0.00 23.12 23.62 2oqb s ALA 52 CO 0.74 -0.08 0.87 -1.91 0.00 0.00 0.00 175.76 175.38 2oqb n GLU 53 N 1.26 0.86 -3.27 0.00 2.13 -1.24 -1.74 120.64 118.65 2oqb n GLU 53 Ca -0.21 -2.25 -0.39 0.00 0.66 0.00 0.00 57.16 54.96 2oqb n GLU 53 Cb 0.56 -1.33 -0.07 0.00 0.27 0.00 0.00 31.44 30.87 2oqb n GLU 53 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2oqb s GLN 54 N -0.14 4.17 0.49 5.31 -0.21 -0.71 -4.96 119.66 123.61 2oqb s GLN 54 Ca 0.31 0.37 -0.05 0.00 0.02 0.00 0.00 55.36 56.00 2oqb s GLN 54 Cb 0.25 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 2oqb s GLN 54 CO -0.15 -0.15 0.80 -0.65 -2.12 0.00 0.00 175.29 173.02 2oqb s GLN 55 N 1.66 3.53 -0.79 2.91 -1.52 -1.26 -2.24 119.66 121.95 2oqb s GLN 55 Ca 0.23 0.21 -0.01 0.00 -1.95 0.00 0.00 55.36 53.84 2oqb s GLN 55 Cb -0.15 -2.36 -0.00 0.00 -0.22 0.00 0.00 33.01 30.27 2oqb s GLN 55 CO 0.09 -0.23 0.68 0.00 -0.25 0.00 0.00 175.29 175.58 2oqb n ALA 56 N -2.29 -2.60 -2.43 6.09 0.00 -1.23 -5.00 120.51 113.05 2oqb n ALA 56 Ca 0.01 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 2oqb n ALA 56 Cb 0.55 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 2oqb n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oqb s LEU 57 N -4.41 2.47 -0.20 0.00 1.43 -0.37 -4.37 118.68 113.23 2oqb s LEU 57 Ca 0.03 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.21 2oqb s LEU 57 Cb -0.01 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 2oqb s LEU 57 CO 0.80 0.11 -0.02 0.00 0.23 0.00 0.00 176.35 177.47 2oqb s ARG 58 N -2.77 3.55 -0.09 1.70 1.70 -0.49 -0.79 118.95 121.76 2oqb s ARG 58 Ca 0.22 -0.56 -0.18 0.00 -0.47 0.00 0.00 55.73 54.74 2oqb s ARG 58 Cb -0.08 -3.01 -0.04 0.00 -0.57 0.00 0.00 34.95 31.25 2oqb s ARG 58 CO 0.11 0.00 0.48 -1.17 -1.08 0.00 0.00 175.30 173.64 2oqb s LEU 59 N 1.00 4.31 -0.06 -1.89 0.20 -0.59 -0.98 118.68 120.67 2oqb s LEU 59 Ca 0.01 0.86 0.06 0.00 0.69 0.00 0.00 54.13 55.75 2oqb s LEU 59 Cb -0.14 -2.70 -0.01 0.00 -0.43 0.00 0.00 46.19 42.90 2oqb s LEU 59 CO 0.01 0.05 -0.24 -1.61 -0.29 0.00 0.00 176.35 174.27 2oqb s GLU 60 N 0.35 2.50 -0.14 1.98 2.02 0.39 -0.23 118.70 125.57 2oqb s GLU 60 Ca 0.26 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 2oqb s GLU 60 Cb -0.16 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 2oqb s GLU 60 CO 0.11 0.34 -0.11 0.08 0.02 0.00 0.00 175.26 175.70 2oqb s VAL 61 N -0.07 3.16 -0.35 2.63 1.01 0.30 -1.76 120.40 125.33 2oqb s VAL 61 Ca -0.06 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2oqb s VAL 61 Cb -0.14 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 34.00 2oqb s VAL 61 CO 0.04 0.52 0.07 -0.13 0.00 0.00 0.00 175.10 175.60 2oqb s ARG 62 N 0.42 1.39 -0.13 2.72 0.52 -0.08 -1.60 118.95 122.19 2oqb s ARG 62 Ca -0.09 -1.80 -0.11 0.00 -0.52 0.00 0.00 55.73 53.21 2oqb s ARG 62 Cb -0.16 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 2oqb s ARG 62 CO 0.05 -0.96 0.23 0.00 0.02 0.00 0.00 175.30 174.64 2oqb s ALA 63 N 0.94 3.71 0.52 2.13 0.00 -1.26 -0.84 121.76 126.96 2oqb s ALA 63 Ca 0.11 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2oqb s ALA 63 Cb -0.19 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2oqb s ALA 63 CO -0.10 0.32 0.14 0.20 0.00 0.00 0.00 175.76 176.32 2oqb s GLY 64 N -0.22 2.78 0.40 0.00 0.00 -0.07 -4.95 107.32 105.27 2oqb s GLY 64 Ca 0.15 -0.74 0.15 0.00 0.00 0.00 0.00 44.72 44.29 2oqb s GLY 64 CO 0.04 -2.10 1.86 -2.55 0.00 0.00 0.00 173.10 170.35 2oqb h PRO 65 N 1.15 0.46 0.00 2.90 0.11 -1.98 -3.31 132.00 131.33 2oqb h PRO 65 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2oqb h PRO 65 Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2oqb h PRO 65 CO 0.68 0.30 0.00 -0.25 -0.21 0.00 0.00 178.00 178.53 2oqb n ASP 66 N -4.53 0.02 -3.78 -2.05 8.00 -1.26 -4.49 116.55 108.46 2oqb n ASP 66 Ca 0.18 -0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 2oqb n ASP 66 Cb 0.63 0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 42.18 2oqb n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oqb s ALA 67 N -0.54 -0.71 -0.21 2.24 0.00 -1.25 -4.44 121.76 116.85 2oqb s ALA 67 Ca 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 2oqb s ALA 67 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2oqb s ALA 67 CO 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 175.76 175.51 2oqb s ALA 68 N -0.83 2.86 -0.07 0.00 0.00 0.16 -0.89 121.76 122.99 2oqb s ALA 68 Ca -0.09 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 2oqb s ALA 68 Cb -0.05 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 2oqb s ALA 68 CO 0.03 -0.34 1.00 0.20 0.00 0.00 0.00 175.76 176.65 2oqb s GLY 69 N 1.33 2.52 -0.07 0.00 0.00 -0.02 -0.53 107.32 110.55 2oqb s GLY 69 Ca 0.04 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.21 2oqb s GLY 69 CO -0.01 1.85 -0.14 -0.42 0.00 0.00 0.00 173.10 174.38 2oqb s ILE 70 N 1.71 3.08 -0.07 0.90 1.01 -0.18 -0.90 121.20 126.75 2oqb s ILE 70 Ca 0.50 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 2oqb s ILE 70 Cb -0.19 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.07 2oqb s ILE 70 CO 0.21 0.57 0.18 0.00 0.00 0.00 0.00 174.94 175.90 2oqb s ALA 71 N -0.42 -0.42 -0.17 9.38 0.00 -0.72 -1.36 121.76 128.05 2oqb s ALA 71 Ca 0.05 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 2oqb s ALA 71 Cb -0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2oqb s ALA 71 CO 0.02 -0.11 -0.06 -0.51 0.00 0.00 0.00 175.76 175.10 2oqb s LEU 72 N 0.42 3.02 -0.04 0.00 1.02 0.12 -0.46 118.68 122.76 2oqb s LEU 72 Ca -0.03 -0.26 0.05 0.00 0.02 0.00 0.00 54.13 53.91 2oqb s LEU 72 Cb -0.04 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.41 2oqb s LEU 72 CO -0.02 0.11 -0.18 -0.31 0.02 0.00 0.00 176.35 175.97 2oqb s TYR 73 N 0.73 2.59 0.98 0.29 2.02 -0.15 -0.91 117.35 122.90 2oqb s TYR 73 Ca -0.03 -0.27 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 2oqb s TYR 73 Cb -0.15 -1.60 0.18 0.00 -0.40 0.00 0.00 41.96 40.00 2oqb s TYR 73 CO 0.02 0.10 1.17 -1.54 -1.57 0.00 0.00 175.55 173.73 2oqb s SER 74 N -0.65 2.94 0.58 2.29 1.04 -0.15 -1.39 113.70 118.36 2oqb s SER 74 Ca 0.10 0.75 0.29 0.00 0.48 0.00 0.00 55.95 57.56 2oqb s SER 74 Cb -0.11 -1.14 1.79 0.00 0.10 0.00 0.00 66.02 66.66 2oqb s SER 74 CO 0.00 -2.89 2.25 -0.74 0.98 0.00 0.00 173.24 172.84 2oqb h HIS 75 N -1.73 0.00 -0.43 5.02 2.76 -1.91 0.41 115.15 119.26 2oqb h HIS 75 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2oqb h HIS 75 Cb 1.30 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.26 2oqb h HIS 75 CO -0.49 0.01 0.00 0.39 -1.30 0.00 0.00 177.93 176.53 2oqb n GLU 76 N -3.87 2.04 -1.66 5.26 4.71 -1.26 -4.92 120.64 120.94 2oqb n GLU 76 Ca -0.03 -1.57 -0.14 0.00 -0.01 0.00 0.00 57.16 55.41 2oqb n GLU 76 Cb 0.09 -1.35 -0.05 0.00 -1.01 0.00 0.00 31.44 29.12 2oqb n GLU 76 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2oqb n ASP 77 N 0.76 -4.65 -4.70 1.62 8.00 0.13 -5.00 116.55 112.72 2oqb n ASP 77 Ca 0.15 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 2oqb n ASP 77 Cb 0.38 -3.52 -0.03 0.00 -0.02 0.00 0.00 41.12 37.92 2oqb n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oqb s VAL 78 N -2.59 4.26 -0.54 2.53 1.01 -1.26 -4.76 120.40 119.05 2oqb s VAL 78 Ca 0.00 1.60 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 2oqb s VAL 78 Cb 0.00 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2oqb s VAL 78 CO 0.00 0.05 1.14 0.00 0.00 0.00 0.00 175.10 176.29 2oqb n VAL 80 N 6.68 0.71 -3.65 0.00 0.24 -0.09 -4.90 118.33 117.32 2oqb n VAL 80 Ca 0.09 -0.58 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 2oqb n VAL 80 Cb 0.49 -0.40 -0.08 0.00 -1.47 0.00 0.00 33.84 32.38 2oqb n VAL 80 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2oqb s PHE 81 N -3.26 -0.74 0.02 6.34 5.36 -1.24 -5.02 117.98 119.44 2oqb s PHE 81 Ca -0.02 1.80 -0.11 0.00 -0.96 0.00 0.00 56.93 57.63 2oqb s PHE 81 Cb 0.10 0.27 0.01 0.00 -0.34 0.00 0.00 43.02 43.05 2oqb s PHE 81 CO 0.81 -0.36 0.24 -1.59 -1.46 0.00 0.00 175.22 172.85 2oqb s LYS 82 N 0.41 0.68 0.24 10.12 0.00 -1.26 -0.70 119.74 129.23 2oqb s LYS 82 Ca -0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 55.97 55.29 2oqb s LYS 82 Cb -0.05 0.29 0.05 0.00 0.00 0.00 0.00 37.83 38.13 2oqb s LYS 82 CO -0.00 -0.19 0.88 0.00 0.00 0.00 0.00 175.35 176.04 2oqb s SER 84 N -3.07 4.08 -0.20 0.00 0.15 -1.26 -1.01 113.70 112.40 2oqb s SER 84 Ca 0.15 -0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 2oqb s SER 84 Cb -0.04 -1.49 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 2oqb s SER 84 CO 0.06 0.20 0.03 -0.69 1.20 0.00 0.00 173.24 174.04 2oqb s VAL 85 N 0.15 4.31 0.25 4.45 1.01 0.31 -4.92 120.40 125.96 2oqb s VAL 85 Ca -0.07 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2oqb s VAL 85 Cb -0.15 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2oqb s VAL 85 CO 0.05 0.43 0.19 -1.54 0.00 0.00 0.00 175.10 174.23 2oqb n SER 86 N 4.02 -0.25 -0.02 3.32 3.41 -1.26 -0.67 113.62 122.18 2oqb n SER 86 Ca -0.17 -2.60 0.17 0.00 -0.26 0.00 0.00 58.87 56.02 2oqb n SER 86 Cb 0.52 1.15 0.63 0.00 -0.26 0.00 0.00 64.21 66.25 2oqb n SER 86 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2oqb h ARG 87 N 0.00 0.12 0.00 4.33 2.43 -1.46 -2.13 114.38 117.67 2oqb h ARG 87 Ca -0.18 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 2oqb h ARG 87 Cb 0.88 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2oqb h ARG 87 CO 0.27 0.08 -0.11 0.93 -1.51 0.00 0.00 179.97 179.63 2oqb h GLU 88 N 0.12 0.00 -6.75 0.20 3.07 -1.96 -3.47 114.58 105.79 2oqb h GLU 88 Ca 0.25 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.59 2oqb h GLU 88 Cb 0.84 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.81 2oqb h GLU 88 CO -0.03 0.11 0.77 0.99 -1.40 0.00 0.00 179.01 179.45 2oqb s THR 89 N -3.17 2.60 -0.49 1.13 2.01 -0.80 -4.94 115.64 111.97 2oqb s THR 89 Ca 0.06 0.51 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 2oqb s THR 89 Cb 0.06 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.27 2oqb s THR 89 CO 0.68 0.08 0.98 -1.61 -0.69 0.00 0.00 174.62 174.07 2oqb s GLU 90 N -0.41 3.53 0.16 4.92 2.02 -1.26 -4.93 118.70 122.72 2oqb s GLU 90 Ca 0.59 0.16 -0.23 0.00 0.02 0.00 0.00 54.97 55.51 2oqb s GLU 90 Cb -0.42 -3.95 0.07 0.00 0.10 0.00 0.00 34.13 29.92 2oqb s GLU 90 CO 0.44 -1.33 0.64 0.00 0.02 0.00 0.00 175.26 175.03 2oqb s SER 92 N -2.74 -0.60 0.34 0.00 0.15 -0.66 -4.99 113.70 105.20 2oqb s SER 92 Ca 0.02 0.96 -0.27 0.00 0.70 0.00 0.00 55.95 57.37 2oqb s SER 92 Cb -0.01 0.91 -0.12 0.00 -1.71 0.00 0.00 66.02 65.08 2oqb s SER 92 CO -0.11 -0.34 1.11 -1.14 1.20 0.00 0.00 173.24 173.96 2oqb n ARG 93 N 1.80 1.62 -4.45 5.44 0.63 -1.26 -0.86 116.66 119.58 2oqb n ARG 93 Ca -0.14 0.57 -0.25 0.00 -0.92 0.00 0.00 57.85 57.10 2oqb n ARG 93 Cb 0.56 -2.06 -0.17 0.00 0.45 0.00 0.00 32.46 31.24 2oqb n ARG 93 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2oqb s VAL 94 N -1.13 1.14 0.00 5.15 1.01 -0.12 -4.82 120.40 121.63 2oqb s VAL 94 Ca 0.59 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2oqb s VAL 94 Cb -0.62 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2oqb s VAL 94 CO 0.60 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.67 2oqb n GLY 95 N 4.05 1.64 0.43 4.51 0.00 -1.26 -1.91 105.19 112.66 2oqb n GLY 95 Ca -0.21 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.39 2oqb n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqb n ARG 96 N 5.19 1.60 -0.45 1.61 1.74 -1.26 -4.67 116.66 120.42 2oqb n ARG 96 Ca 0.00 -0.95 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 2oqb n ARG 96 Cb 0.00 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2oqb n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2oqb n GLN 97 N 0.07 0.00 -4.37 5.56 10.64 -1.24 -4.49 117.38 123.55 2oqb n GLN 97 Ca 0.07 -0.57 -0.19 0.00 -1.83 0.00 0.00 57.00 54.49 2oqb n GLN 97 Cb 0.37 -0.30 -0.10 0.00 -0.86 0.00 0.00 30.24 29.35 2oqb n GLN 97 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2oqb s SER 98 N -0.54 2.28 -0.14 2.61 0.01 -0.80 -1.15 113.70 115.97 2oqb s SER 98 Ca 0.00 -1.18 -0.07 0.00 1.31 0.00 0.00 55.95 56.01 2oqb s SER 98 Cb 0.00 -0.08 0.06 0.00 0.21 0.00 0.00 66.02 66.21 2oqb s SER 98 CO 0.00 -0.40 0.32 0.12 0.41 0.00 0.00 173.24 173.69 2oqb s PHE 99 N -3.21 -0.48 -0.10 2.43 5.36 0.50 -0.95 117.98 121.55 2oqb s PHE 99 Ca 0.28 1.05 -0.04 0.00 -0.96 0.00 0.00 56.93 57.25 2oqb s PHE 99 Cb 0.04 0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.82 2oqb s PHE 99 CO 0.09 -0.31 0.07 -1.50 -1.46 0.00 0.00 175.22 172.12 2oqb s ILE 100 N 1.56 4.91 -0.07 3.12 2.07 -0.04 -0.39 121.20 132.36 2oqb s ILE 100 Ca -0.07 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.14 2oqb s ILE 100 Cb -0.10 -3.12 0.02 0.00 0.13 0.00 0.00 42.46 39.39 2oqb s ILE 100 CO -0.10 0.59 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.79 2oqb s ILE 101 N -0.98 1.01 -0.13 2.00 1.01 -0.55 -1.66 121.20 121.90 2oqb s ILE 101 Ca 0.15 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.44 2oqb s ILE 101 Cb -0.12 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 2oqb s ILE 101 CO 0.04 0.33 -0.20 -0.89 0.00 0.00 0.00 174.94 174.23 2oqb s THR 102 N 0.92 2.34 -0.05 2.92 2.01 0.06 -1.50 115.64 122.34 2oqb s THR 102 Ca -0.10 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 2oqb s THR 102 Cb -0.15 -1.94 0.03 0.00 0.01 0.00 0.00 72.50 70.45 2oqb s THR 102 CO 0.01 0.54 0.02 -0.76 -0.69 0.00 0.00 174.62 173.74 2oqb s LEU 103 N 0.55 0.58 0.00 4.42 1.43 -0.29 -4.09 118.68 121.28 2oqb s LEU 103 Ca -0.12 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2oqb s LEU 103 Cb -0.17 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.80 2oqb s LEU 103 CO 0.04 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.04 2oqb n GLY 104 N 4.92 3.36 0.25 -3.19 0.00 -1.26 -1.95 105.19 107.32 2oqb n GLY 104 Ca -0.11 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.91 2oqb n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqb s ASN 106 N -2.35 3.75 0.05 0.00 0.01 -0.82 -5.02 114.94 110.56 2oqb s ASN 106 Ca 0.30 -0.39 0.08 0.00 -0.71 0.00 0.00 52.86 52.14 2oqb s ASN 106 Cb 0.20 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 41.21 2oqb s ASN 106 CO 0.46 0.28 -0.21 -0.44 -1.51 0.00 0.00 177.10 175.67 2oqb s SER 107 N -1.21 2.56 0.11 -1.22 0.01 -1.26 -1.14 113.70 111.55 2oqb s SER 107 Ca 0.13 -0.54 0.09 0.00 1.31 0.00 0.00 55.95 56.94 2oqb s SER 107 Cb -0.10 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2oqb s SER 107 CO 0.04 0.16 -0.23 0.68 0.41 0.00 0.00 173.24 174.30 2oqb s VAL 108 N -0.83 1.89 -0.21 3.43 -7.23 -0.56 -1.57 120.40 115.32 2oqb s VAL 108 Ca 0.08 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 58.63 2oqb s VAL 108 Cb -0.09 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.15 2oqb s VAL 108 CO 0.02 0.01 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.52 2oqb s LEU 109 N -1.90 2.73 -0.17 1.32 2.96 0.34 -1.49 118.68 122.48 2oqb s LEU 109 Ca 0.09 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.43 2oqb s LEU 109 Cb -0.10 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 2oqb s LEU 109 CO 0.05 -0.01 0.25 -0.63 -1.32 0.00 0.00 176.35 174.69 2oqb s ILE 110 N 1.39 5.33 -0.15 6.68 1.01 0.47 -0.75 121.20 135.19 2oqb s ILE 110 Ca 0.05 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.17 2oqb s ILE 110 Cb -0.14 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2oqb s ILE 110 CO -0.05 0.40 -0.18 -1.10 0.00 0.00 0.00 174.94 174.01 2oqb s GLN 111 N 0.44 3.12 0.47 2.79 -0.21 -0.26 -0.37 119.66 125.64 2oqb s GLN 111 Ca 0.14 -0.80 -0.04 0.00 0.02 0.00 0.00 55.36 54.68 2oqb s GLN 111 Cb -0.12 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.31 2oqb s GLN 111 CO 0.02 -0.00 0.76 -0.06 -2.12 0.00 0.00 175.29 173.89 2oqb s PHE 112 N 0.82 3.52 0.28 0.91 0.40 -0.30 -0.94 117.98 122.68 2oqb s PHE 112 Ca -0.06 0.72 -0.01 0.00 -0.60 0.00 0.00 56.93 56.98 2oqb s PHE 112 Cb -0.15 -2.28 0.41 0.00 0.51 0.00 0.00 43.02 41.51 2oqb s PHE 112 CO -0.01 -0.26 1.86 0.00 0.70 0.00 0.00 175.22 177.50 2oqb h ALA 113 N 0.27 1.25 -2.52 5.36 0.00 -1.81 -3.45 119.26 118.37 2oqb h ALA 113 Ca -0.47 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 2oqb h ALA 113 Cb 1.21 -0.24 -0.17 0.00 0.00 0.00 0.00 17.79 18.59 2oqb h ALA 113 CO 0.61 0.54 -0.54 0.95 0.00 0.00 0.00 179.25 180.82 2oqb s THR 114 N -5.37 0.15 0.40 0.00 -4.23 -1.26 -5.04 115.64 100.29 2oqb s THR 114 Ca -0.10 -1.26 0.10 0.00 -1.18 0.00 0.00 61.69 59.25 2oqb s THR 114 Cb 0.16 -1.08 0.31 0.00 1.34 0.00 0.00 72.50 73.23 2oqb s THR 114 CO 0.80 -0.69 1.96 -0.65 -0.54 0.00 0.00 174.62 175.50 2oqb h PRO 115 N 3.43 0.55 -0.52 3.99 0.11 -1.88 -1.92 132.00 135.75 2oqb h PRO 115 Ca -0.33 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.77 2oqb h PRO 115 Cb 1.18 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2oqb h PRO 115 CO 0.54 0.36 0.30 0.45 -0.21 0.00 0.00 178.00 179.45 2oqb h HIS 116 N 0.57 0.57 -0.17 0.65 3.86 -1.96 -0.05 115.15 118.61 2oqb h HIS 116 Ca 0.31 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2oqb h HIS 116 Cb 0.45 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 2oqb h HIS 116 CO -0.00 0.32 0.11 -0.44 0.86 0.00 0.00 177.93 178.78 2oqb h ASP 117 N 0.60 0.20 -0.59 2.45 3.32 -1.83 -1.36 116.42 119.21 2oqb h ASP 117 Ca 0.21 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.30 2oqb h ASP 117 Cb 0.04 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 2oqb h ASP 117 CO -0.11 0.16 0.32 0.15 -1.72 0.00 0.00 179.24 178.04 2oqb h PHE 118 N 0.23 0.59 -0.70 4.55 3.57 -1.05 -1.30 116.94 122.82 2oqb h PHE 118 Ca 0.06 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 2oqb h PHE 118 Cb -0.02 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 2oqb h PHE 118 CO -0.06 0.29 0.19 0.00 -2.23 0.00 0.00 178.31 176.50 2oqb h SER 120 N 1.05 0.31 0.04 0.00 0.87 -0.93 -0.35 113.55 114.53 2oqb h SER 120 Ca 0.22 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2oqb h SER 120 Cb 0.34 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2oqb h SER 120 CO -0.00 0.22 -0.02 0.15 -0.53 0.00 0.00 176.83 176.65 2oqb h PHE 121 N 0.43 -0.05 -0.81 2.24 3.57 -0.75 -2.55 116.94 119.02 2oqb h PHE 121 Ca 0.19 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.75 2oqb h PHE 121 Cb 0.10 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 2oqb h PHE 121 CO -0.10 0.07 0.48 -0.92 -2.23 0.00 0.00 178.31 175.61 2oqb h TYR 122 N -0.17 0.89 -0.56 0.41 3.20 -0.42 -2.37 116.97 117.95 2oqb h TYR 122 Ca -0.01 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2oqb h TYR 122 Cb 0.15 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2oqb h TYR 122 CO -0.04 0.43 0.07 -0.91 -1.64 0.00 0.00 178.16 176.07 2oqb h ASN 123 N 0.87 0.87 -0.57 -2.11 2.35 -0.95 -2.32 115.58 113.73 2oqb h ASN 123 Ca 0.36 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2oqb h ASN 123 Cb 0.20 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2oqb h ASN 123 CO -0.19 0.89 0.18 0.40 -1.65 0.00 0.00 177.43 177.07 2oqb h ILE 124 N 0.86 1.24 0.00 2.81 2.04 -1.02 -2.24 117.51 121.20 2oqb h ILE 124 Ca 0.17 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2oqb h ILE 124 Cb 0.41 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2oqb h ILE 124 CO 0.01 0.32 0.00 0.18 0.00 0.00 0.00 178.15 178.66 2oqb n LEU 125 N -4.27 0.53 -0.20 1.44 4.77 -0.89 -3.91 117.00 114.47 2oqb n LEU 125 Ca 0.05 0.62 0.02 0.00 -0.03 0.00 0.00 56.01 56.67 2oqb n LEU 125 Cb 0.22 -0.54 0.28 0.00 -2.33 0.00 0.00 43.42 41.05 2oqb n LEU 125 CO 0.40 -0.45 1.23 0.11 -1.33 0.00 0.00 177.39 177.35 2oqb h LYS 126 N 0.00 0.91 -0.05 3.23 1.57 -1.19 -1.37 116.57 119.67 2oqb h LYS 126 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2oqb h LYS 126 Cb 0.38 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2oqb h LYS 126 CO 0.00 0.60 0.03 1.15 -0.57 0.00 0.00 179.45 180.66 2oqb h THR 127 N 0.93 1.03 0.00 -0.16 2.02 -1.78 -3.16 112.91 111.80 2oqb h THR 127 Ca 0.28 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 2oqb h THR 127 Cb -0.03 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2oqb h THR 127 CO -0.07 0.03 -0.45 0.00 0.37 0.00 0.00 175.52 175.40