#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oga s ILE 1 N 0.00 1.22 -0.01 1.12 1.10 -1.26 -5.15 121.20 118.22 1oga s ILE 1 Ca 0.00 -1.24 0.05 0.00 -0.51 0.00 0.00 60.65 58.95 1oga s ILE 1 Cb 0.00 -1.14 -0.01 0.00 0.15 0.00 0.00 42.46 41.46 1oga s ILE 1 CO 0.00 -0.11 -0.18 -1.10 -2.11 0.00 0.00 174.94 171.44 1oga s GLN 2 N -1.55 1.45 -0.04 3.50 -0.21 -1.26 -4.56 119.66 116.99 1oga s GLN 2 Ca 0.01 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 54.79 1oga s GLN 2 Cb -0.09 -1.39 0.00 0.00 1.00 0.00 0.00 33.01 32.53 1oga s GLN 2 CO 0.02 0.37 -0.13 1.03 -2.12 0.00 0.00 175.29 174.47 1oga s ARG 3 N -0.39 1.42 0.27 2.91 0.52 -0.17 -4.92 118.95 118.58 1oga s ARG 3 Ca 0.06 -0.44 -0.26 0.00 -0.52 0.00 0.00 55.73 54.57 1oga s ARG 3 Cb -0.07 -1.25 -0.09 0.00 0.52 0.00 0.00 34.95 34.06 1oga s ARG 3 CO -0.01 0.14 0.89 0.99 0.02 0.00 0.00 175.30 177.33 1oga s THR 4 N 0.25 4.25 0.33 0.02 2.01 -1.26 -1.61 115.64 119.62 1oga s THR 4 Ca -0.06 1.79 -0.28 0.00 0.31 0.00 0.00 61.69 63.45 1oga s THR 4 Cb -0.11 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 1oga s THR 4 CO 0.02 0.29 1.18 -2.16 -0.69 0.00 0.00 174.62 173.25 1oga s PRO 5 N -1.71 4.39 0.24 4.92 0.04 -1.26 -4.30 135.00 137.31 1oga s PRO 5 Ca 0.45 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 1oga s PRO 5 Cb -0.21 -2.99 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 1oga s PRO 5 CO 0.26 -0.06 0.62 0.15 0.04 0.00 0.00 177.00 178.01 1oga s LYS 6 N -1.81 3.94 -0.03 4.56 1.02 0.40 -4.90 119.74 122.91 1oga s LYS 6 Ca 0.50 0.50 0.01 0.00 0.02 0.00 0.00 55.97 57.00 1oga s LYS 6 Cb -0.33 -2.67 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1oga s LYS 6 CO 0.43 0.31 -0.05 0.42 -0.92 0.00 0.00 175.35 175.55 1oga s ILE 7 N -1.76 0.52 -0.04 2.17 1.01 -1.26 -1.80 121.20 120.04 1oga s ILE 7 Ca 0.47 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1oga s ILE 7 Cb -0.12 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.83 1oga s ILE 7 CO 0.20 0.21 -0.07 -1.10 0.00 0.00 0.00 174.94 174.17 1oga s GLN 8 N 0.68 0.91 -0.12 2.79 -0.21 -0.46 -4.99 119.66 118.26 1oga s GLN 8 Ca -0.09 -0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.10 1oga s GLN 8 Cb -0.12 -0.86 -0.01 0.00 1.00 0.00 0.00 33.01 33.02 1oga s GLN 8 CO 0.00 0.02 -0.19 0.08 -2.12 0.00 0.00 175.29 173.08 1oga s VAL 9 N 0.53 2.47 0.14 1.09 1.01 -1.26 -0.55 120.40 123.84 1oga s VAL 9 Ca -0.08 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 1oga s VAL 9 Cb -0.11 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.34 1oga s VAL 9 CO 0.01 0.54 0.97 -0.72 0.00 0.00 0.00 175.10 175.90 1oga s TYR 10 N 0.39 -0.13 0.15 5.22 1.13 -0.54 -4.62 117.35 118.95 1oga s TYR 10 Ca -0.15 -0.16 0.03 0.00 -1.41 0.00 0.00 57.07 55.39 1oga s TYR 10 Cb -0.17 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1oga s TYR 10 CO 0.07 -0.79 0.24 -1.54 -2.51 0.00 0.00 175.55 171.01 1oga s SER 11 N -2.93 6.09 0.16 -0.18 1.04 -1.26 -0.18 113.70 116.43 1oga s SER 11 Ca 0.12 0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.51 1oga s SER 11 Cb -0.01 -1.77 0.06 0.00 0.10 0.00 0.00 66.02 64.40 1oga s SER 11 CO 0.02 0.06 1.69 -0.09 0.98 0.00 0.00 173.24 175.89 1oga h ARG 12 N 2.23 0.87 -6.07 4.02 2.43 -1.38 -3.45 114.38 113.04 1oga h ARG 12 Ca -0.48 -0.19 -0.57 0.00 -0.81 0.00 0.00 59.98 57.92 1oga h ARG 12 Cb 1.20 -0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.48 1oga h ARG 12 CO 0.67 0.80 -0.76 -1.01 -1.51 0.00 0.00 179.97 178.16 1oga s HIS 13 N -5.40 2.15 0.25 2.20 3.76 -1.26 -5.03 115.29 111.96 1oga s HIS 13 Ca -0.13 -0.39 -0.31 0.00 -0.15 0.00 0.00 55.06 54.09 1oga s HIS 13 Cb 0.12 -0.95 -0.13 0.00 1.11 0.00 0.00 32.58 32.74 1oga s HIS 13 CO 0.80 0.63 1.43 -2.30 -0.85 0.00 0.00 174.74 174.45 1oga n PRO 14 N -0.54 2.13 -2.16 8.40 -0.02 -1.26 -4.87 135.00 136.68 1oga n PRO 14 Ca -0.06 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1oga n PRO 14 Cb 0.60 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1oga n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oga s ALA 15 N -0.09 3.50 -0.04 3.55 0.00 -1.26 -5.03 121.76 122.38 1oga s ALA 15 Ca 0.67 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 1oga s ALA 15 Cb -0.63 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.06 1oga s ALA 15 CO 0.50 -0.58 0.05 -2.00 0.00 0.00 0.00 175.76 173.73 1oga s GLU 16 N -1.46 0.02 0.20 0.00 2.12 -1.26 -5.12 118.70 113.20 1oga s GLU 16 Ca 0.50 0.33 -0.33 0.00 0.36 0.00 0.00 54.97 55.83 1oga s GLU 16 Cb -0.39 -0.56 -0.13 0.00 0.26 0.00 0.00 34.13 33.32 1oga s GLU 16 CO 0.49 -0.31 1.57 0.09 -0.54 0.00 0.00 175.26 176.56 1oga n ASN 17 N 5.20 3.23 0.00 -1.70 3.02 -1.26 -1.40 115.26 122.35 1oga n ASN 17 Ca -0.05 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1oga n ASN 17 Cb 0.50 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1oga n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oga n GLY 18 N 3.14 1.04 3.43 7.41 0.00 0.20 -4.98 105.19 115.41 1oga n GLY 18 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1oga n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oga s LYS 19 N -0.23 3.53 0.56 1.61 2.20 -0.49 -4.99 119.74 121.93 1oga s LYS 19 Ca 0.00 -0.59 -0.21 0.00 -0.36 0.00 0.00 55.97 54.81 1oga s LYS 19 Cb 0.00 -2.83 -0.05 0.00 -1.51 0.00 0.00 37.83 33.45 1oga s LYS 19 CO 0.00 0.17 1.23 0.45 -0.36 0.00 0.00 175.35 176.84 1oga n SER 20 N 3.71 2.05 -1.14 1.43 2.88 -1.26 -4.19 113.62 117.10 1oga n SER 20 Ca -0.18 0.92 -0.01 0.00 -1.33 0.00 0.00 58.87 58.28 1oga n SER 20 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1oga n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1oga n ASN 21 N -0.94 -0.18 -4.09 -3.46 2.85 0.86 -4.98 115.26 105.31 1oga n ASN 21 Ca 0.12 -1.12 -0.24 0.00 -0.11 0.00 0.00 54.58 53.22 1oga n ASN 21 Cb 0.45 0.30 -0.16 0.00 1.24 0.00 0.00 39.78 41.61 1oga n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1oga s PHE 22 N -8.42 1.45 -0.21 1.20 0.40 -1.26 -0.76 117.98 110.37 1oga s PHE 22 Ca 0.01 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.86 1oga s PHE 22 Cb -0.00 -0.98 -0.05 0.00 0.51 0.00 0.00 43.02 42.50 1oga s PHE 22 CO 0.01 -0.13 0.12 -1.17 0.70 0.00 0.00 175.22 174.75 1oga s LEU 23 N 0.04 4.01 0.02 -0.37 2.96 0.31 -0.87 118.68 124.77 1oga s LEU 23 Ca -0.02 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 1oga s LEU 23 Cb -0.10 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1oga s LEU 23 CO 0.01 0.12 -0.21 0.20 -1.32 0.00 0.00 176.35 175.16 1oga s ASN 24 N 0.70 3.57 -0.19 3.68 0.01 0.74 -1.62 114.94 121.83 1oga s ASN 24 Ca 0.06 -0.43 -0.00 0.00 -0.71 0.00 0.00 52.86 51.78 1oga s ASN 24 Cb -0.13 -0.53 0.05 0.00 0.41 0.00 0.00 41.25 41.05 1oga s ASN 24 CO 0.01 0.28 -0.04 0.00 -1.51 0.00 0.00 177.10 175.85 1oga s TYR 26 N 1.60 3.10 -0.10 0.00 5.04 0.29 -0.95 117.35 126.32 1oga s TYR 26 Ca -0.01 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 1oga s TYR 26 Cb -0.16 -2.24 -0.02 0.00 0.35 0.00 0.00 41.96 39.88 1oga s TYR 26 CO -0.07 -0.33 -0.14 0.14 -1.34 0.00 0.00 175.55 173.80 1oga s VAL 27 N 1.59 3.02 0.21 3.14 -7.23 -0.44 -1.35 120.40 119.34 1oga s VAL 27 Ca 0.06 -0.70 -0.11 0.00 -1.81 0.00 0.00 61.98 59.42 1oga s VAL 27 Cb -0.15 -2.23 -0.00 0.00 0.56 0.00 0.00 36.38 34.55 1oga s VAL 27 CO 0.04 0.55 0.40 -0.94 -0.31 0.00 0.00 175.10 174.84 1oga s SER 28 N -0.05 -0.05 -0.96 4.85 1.04 -0.75 -1.24 113.70 116.53 1oga s SER 28 Ca -0.03 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1oga s SER 28 Cb -0.14 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1oga s SER 28 CO 0.04 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1oga n GLY 29 N -0.32 1.06 3.85 7.32 0.00 -0.44 -0.46 105.19 116.21 1oga n GLY 29 Ca -0.04 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1oga n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1oga s PHE 30 N -2.27 3.20 -0.28 1.61 -0.71 -1.18 -4.30 117.98 114.06 1oga s PHE 30 Ca 0.00 -0.06 -0.19 0.00 -1.04 0.00 0.00 56.93 55.64 1oga s PHE 30 Cb 0.00 -1.47 0.08 0.00 -1.21 0.00 0.00 43.02 40.42 1oga s PHE 30 CO 0.00 0.51 0.73 -1.58 -1.34 0.00 0.00 175.22 173.54 1oga s HIS 31 N -1.99 -0.93 1.21 3.49 2.46 -0.64 -0.91 115.29 117.98 1oga s HIS 31 Ca 0.33 1.98 -0.20 0.00 0.47 0.00 0.00 55.06 57.63 1oga s HIS 31 Cb -0.09 0.50 0.29 0.00 -0.13 0.00 0.00 32.58 33.16 1oga s HIS 31 CO 0.25 -0.46 1.12 -1.25 -2.47 0.00 0.00 174.74 171.94 1oga s PRO 32 N 1.21 -1.33 0.49 2.88 0.04 -1.26 -1.00 135.00 136.02 1oga s PRO 32 Ca -0.07 -0.15 0.28 0.00 0.04 0.00 0.00 61.00 61.10 1oga s PRO 32 Cb -0.05 -1.59 0.86 0.00 0.04 0.00 0.00 34.50 33.76 1oga s PRO 32 CO -0.13 -3.77 1.80 0.66 0.04 0.00 0.00 177.00 175.60 1oga h SER 33 N -2.62 0.00 -2.58 6.66 4.64 -1.99 -3.45 113.55 114.22 1oga h SER 33 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 1oga h SER 33 Cb 1.28 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1oga h SER 33 CO 0.31 0.02 1.08 -0.62 -0.87 0.00 0.00 176.83 176.75 1oga s ASP 34 N -5.96 6.51 -0.03 4.97 3.68 -1.26 -4.96 116.67 119.62 1oga s ASP 34 Ca 0.04 2.61 -0.22 0.00 2.13 0.00 0.00 52.55 57.11 1oga s ASP 34 Cb 0.07 -2.56 0.05 0.00 -1.45 0.00 0.00 42.92 39.03 1oga s ASP 34 CO 0.61 -0.96 0.49 -0.51 0.13 0.00 0.00 175.17 174.92 1oga s ILE 35 N 2.96 0.03 -0.17 4.11 2.07 -1.26 -4.67 121.20 124.27 1oga s ILE 35 Ca 0.79 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 59.76 1oga s ILE 35 Cb -0.43 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.35 1oga s ILE 35 CO 0.35 -0.14 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.43 1oga s GLU 36 N -1.31 3.32 -0.04 3.50 2.12 -0.43 -4.99 118.70 120.86 1oga s GLU 36 Ca -0.12 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.52 1oga s GLU 36 Cb -0.03 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.65 1oga s GLU 36 CO 0.07 0.02 -0.01 0.08 -0.54 0.00 0.00 175.26 174.88 1oga s VAL 37 N 0.85 0.28 0.05 3.70 1.01 -1.26 -1.25 120.40 123.79 1oga s VAL 37 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1oga s VAL 37 Cb -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1oga s VAL 37 CO 0.00 0.19 -0.10 -1.81 0.00 0.00 0.00 175.10 173.38 1oga s ASP 38 N 1.23 1.13 -0.11 3.32 1.01 -0.34 -4.98 116.67 117.93 1oga s ASP 38 Ca -0.07 -0.53 -0.02 0.00 0.71 0.00 0.00 52.55 52.64 1oga s ASP 38 Cb -0.13 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 43.76 1oga s ASP 38 CO -0.02 -0.13 -0.01 -0.76 0.21 0.00 0.00 175.17 174.46 1oga s LEU 39 N -1.48 3.48 0.02 1.23 1.43 -1.26 -0.59 118.68 121.52 1oga s LEU 39 Ca -0.06 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1oga s LEU 39 Cb -0.09 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1oga s LEU 39 CO 0.01 0.31 -0.24 -0.76 0.23 0.00 0.00 176.35 175.91 1oga s LEU 40 N -0.50 2.11 -0.22 1.79 1.43 0.50 -0.58 118.68 123.21 1oga s LEU 40 Ca 0.08 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1oga s LEU 40 Cb -0.12 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.97 1oga s LEU 40 CO 0.02 0.25 -0.15 -0.75 0.23 0.00 0.00 176.35 175.95 1oga s LYS 41 N -0.90 2.70 -1.59 1.70 2.20 0.04 -1.85 119.74 122.04 1oga s LYS 41 Ca 0.09 -1.04 -0.16 0.00 -0.36 0.00 0.00 55.97 54.51 1oga s LYS 41 Cb -0.09 -2.73 0.11 0.00 -1.51 0.00 0.00 37.83 33.60 1oga s LYS 41 CO 0.01 -0.36 0.93 0.09 -0.36 0.00 0.00 175.35 175.65 1oga n ASN 42 N 4.56 -4.41 0.00 1.43 3.02 0.79 -1.44 115.26 119.20 1oga n ASN 42 Ca -0.18 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1oga n ASN 42 Cb 0.47 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 1oga n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oga n GLY 43 N -1.60 2.20 3.75 7.41 0.00 -1.26 -5.04 105.19 110.65 1oga n GLY 43 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1oga n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oga s GLU 44 N -0.33 3.88 0.18 1.61 2.02 -0.52 -4.97 118.70 120.56 1oga s GLU 44 Ca 0.00 -0.23 -0.33 0.00 0.02 0.00 0.00 54.97 54.43 1oga s GLU 44 Cb 0.00 -3.28 -0.13 0.00 0.10 0.00 0.00 34.13 30.82 1oga s GLU 44 CO 0.00 0.45 1.62 -2.13 0.02 0.00 0.00 175.26 175.21 1oga n ARG 45 N 3.04 2.36 -2.91 1.61 0.63 -1.26 -0.78 116.66 119.35 1oga n ARG 45 Ca -0.17 0.85 -0.41 0.00 -0.92 0.00 0.00 57.85 57.20 1oga n ARG 45 Cb 0.53 -2.64 -0.04 0.00 0.45 0.00 0.00 32.46 30.76 1oga n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1oga s ILE 46 N 0.94 4.96 0.04 5.15 1.01 0.25 -4.88 121.20 128.67 1oga s ILE 46 Ca 0.77 1.68 -0.19 0.00 0.00 0.00 0.00 60.65 62.92 1oga s ILE 46 Cb -0.62 -4.15 -0.18 0.00 0.01 0.00 0.00 42.46 37.52 1oga s ILE 46 CO 0.37 0.18 1.22 -0.33 0.00 0.00 0.00 174.94 176.38 1oga h GLU 47 N 6.86 0.48 -4.94 2.79 5.08 -1.92 -3.39 114.58 119.54 1oga h GLU 47 Ca -0.39 -0.38 -0.72 0.00 -1.00 0.00 0.00 59.36 56.86 1oga h GLU 47 Cb 1.19 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.36 1oga h GLU 47 CO 0.77 1.01 1.38 0.15 -1.00 0.00 0.00 179.01 181.32 1oga s LYS 48 N -3.69 4.00 -0.10 2.33 1.02 -1.26 -4.94 119.74 117.10 1oga s LYS 48 Ca -0.13 -2.38 0.03 0.00 0.02 0.00 0.00 55.97 53.51 1oga s LYS 48 Cb 0.05 -5.10 0.01 0.00 -0.52 0.00 0.00 37.83 32.27 1oga s LYS 48 CO 0.81 -1.83 -0.20 0.08 -0.92 0.00 0.00 175.35 173.30 1oga s VAL 49 N 2.08 1.77 0.38 3.17 1.01 -1.26 -4.62 120.40 122.93 1oga s VAL 49 Ca 0.43 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1oga s VAL 49 Cb -0.02 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1oga s VAL 49 CO -0.01 0.50 0.18 -1.61 0.00 0.00 0.00 175.10 174.16 1oga s GLU 50 N 0.62 2.32 0.08 2.72 2.02 -0.59 -4.93 118.70 120.94 1oga s GLU 50 Ca -0.13 -1.68 -0.08 0.00 0.02 0.00 0.00 54.97 53.10 1oga s GLU 50 Cb -0.16 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 1oga s GLU 50 CO 0.04 -0.02 0.16 -3.38 0.02 0.00 0.00 175.26 172.07 1oga s HIS 51 N -2.51 0.19 0.95 1.61 -3.43 -1.26 -0.82 115.29 110.02 1oga s HIS 51 Ca 0.40 -0.61 -0.12 0.00 -0.80 0.00 0.00 55.06 53.93 1oga s HIS 51 Cb 0.00 -0.10 0.16 0.00 -1.43 0.00 0.00 32.58 31.22 1oga s HIS 51 CO 0.23 -0.51 1.11 -1.54 -2.00 0.00 0.00 174.74 172.04 1oga s SER 52 N -2.77 3.06 0.20 7.38 1.04 0.13 -4.98 113.70 117.76 1oga s SER 52 Ca 0.04 1.11 -0.30 0.00 0.48 0.00 0.00 55.95 57.28 1oga s SER 52 Cb 0.04 -1.74 -0.08 0.00 0.10 0.00 0.00 66.02 64.34 1oga s SER 52 CO -0.10 -2.85 1.00 -1.81 0.98 0.00 0.00 173.24 170.45 1oga s ASP 53 N -3.70 7.49 0.00 7.02 1.01 -1.26 -4.76 116.67 122.47 1oga s ASP 53 Ca 0.64 1.98 -0.34 0.00 0.71 0.00 0.00 52.55 55.54 1oga s ASP 53 Cb -0.17 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.03 1oga s ASP 53 CO 0.56 -0.00 1.73 -0.11 0.21 0.00 0.00 175.17 177.56 1oga n LEU 54 N 1.90 3.17 -4.23 1.23 7.94 -1.26 -4.93 117.00 120.82 1oga n LEU 54 Ca -0.00 1.03 -0.15 0.00 -1.11 0.00 0.00 56.01 55.78 1oga n LEU 54 Cb 0.47 -1.37 -0.09 0.00 0.53 0.00 0.00 43.42 42.96 1oga n LEU 54 CO 0.51 -0.21 -0.17 -0.55 -1.11 0.00 0.00 177.39 175.86 1oga s SER 55 N 2.67 0.79 0.13 1.96 0.15 -1.23 -5.06 113.70 113.11 1oga s SER 55 Ca 0.87 -1.53 -0.10 0.00 0.70 0.00 0.00 55.95 55.89 1oga s SER 55 Cb -0.72 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1oga s SER 55 CO 0.47 -0.95 0.26 0.72 1.20 0.00 0.00 173.24 174.95 1oga s PHE 56 N -3.84 0.22 0.75 3.44 -0.12 -1.26 -1.91 117.98 115.26 1oga s PHE 56 Ca 0.39 -0.61 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 1oga s PHE 56 Cb 0.05 -0.01 0.15 0.00 -0.63 0.00 0.00 43.02 42.57 1oga s PHE 56 CO 0.19 -0.65 1.02 -1.12 -0.05 0.00 0.00 175.22 174.61 1oga s SER 57 N -2.91 4.19 0.46 1.98 0.01 0.58 -4.94 113.70 113.07 1oga s SER 57 Ca 0.10 -0.52 0.16 0.00 1.31 0.00 0.00 55.95 57.00 1oga s SER 57 Cb 0.04 0.25 1.11 0.00 0.21 0.00 0.00 66.02 67.63 1oga s SER 57 CO -0.06 -1.99 1.98 0.50 0.41 0.00 0.00 173.24 174.09 1oga h LYS 58 N -0.59 0.30 -0.44 12.44 3.11 -2.03 -0.31 116.57 129.05 1oga h LYS 58 Ca -0.34 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.48 1oga h LYS 58 Cb 1.26 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 1oga h LYS 58 CO 0.37 0.20 0.00 -0.40 -2.81 0.00 0.00 179.45 176.81 1oga n ASP 59 N -4.46 2.18 0.00 4.20 5.75 -1.26 -4.90 116.55 118.06 1oga n ASP 59 Ca 0.10 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1oga n ASP 59 Cb 0.42 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1oga n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1oga n TRP 60 N 0.51 0.00 -2.51 2.11 7.02 -0.13 -5.02 117.44 119.43 1oga n TRP 60 Ca 0.12 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.26 1oga n TRP 60 Cb 0.38 -0.20 -0.03 0.00 -2.42 0.00 0.00 31.31 29.04 1oga n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1oga s SER 61 N -3.17 6.29 0.41 -0.99 1.04 -1.26 -4.64 113.70 111.37 1oga s SER 61 Ca 0.00 1.97 -0.06 0.00 0.48 0.00 0.00 55.95 58.35 1oga s SER 61 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 1oga s SER 61 CO 0.00 -0.82 0.71 -0.36 0.98 0.00 0.00 173.24 173.75 1oga s PHE 62 N -1.92 3.52 -0.05 5.02 0.08 -0.09 -0.31 117.98 124.23 1oga s PHE 62 Ca 0.67 0.77 -0.09 0.00 0.12 0.00 0.00 56.93 58.40 1oga s PHE 62 Cb -0.18 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.05 1oga s PHE 62 CO 0.21 -0.10 0.22 1.52 -0.10 0.00 0.00 175.22 176.98 1oga s TYR 63 N -2.47 -0.16 -0.06 0.36 -0.85 -0.80 -1.32 117.35 112.05 1oga s TYR 63 Ca 0.47 0.34 -0.10 0.00 -0.52 0.00 0.00 57.07 57.26 1oga s TYR 63 Cb -0.10 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.31 1oga s TYR 63 CO 0.38 -0.22 0.25 -0.51 -1.52 0.00 0.00 175.55 173.92 1oga s LEU 64 N -0.59 1.08 -0.19 -3.49 1.43 -0.37 -3.52 118.68 113.03 1oga s LEU 64 Ca -0.07 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1oga s LEU 64 Cb -0.04 0.94 -0.01 0.00 0.03 0.00 0.00 46.19 47.10 1oga s LEU 64 CO 0.01 -0.22 -0.07 -0.22 0.23 0.00 0.00 176.35 176.08 1oga s LEU 65 N -0.48 2.88 -0.09 1.79 2.96 -1.26 -1.33 118.68 123.14 1oga s LEU 65 Ca -0.06 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1oga s LEU 65 Cb -0.04 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1oga s LEU 65 CO 0.01 0.05 0.02 -0.31 -1.32 0.00 0.00 176.35 174.81 1oga s TYR 66 N 1.03 3.23 0.08 5.38 1.51 -0.13 -0.69 117.35 127.76 1oga s TYR 66 Ca 0.00 0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 56.11 1oga s TYR 66 Cb -0.15 -1.81 0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1oga s TYR 66 CO -0.00 0.50 0.46 1.52 -1.11 0.00 0.00 175.55 176.92 1oga s TYR 67 N -0.89 -0.33 -0.08 2.71 -0.85 -0.00 -0.49 117.35 117.42 1oga s TYR 67 Ca 0.13 0.22 -0.19 0.00 -0.52 0.00 0.00 57.07 56.71 1oga s TYR 67 Cb -0.11 0.30 0.04 0.00 0.38 0.00 0.00 41.96 42.57 1oga s TYR 67 CO 0.03 -0.66 0.45 -0.08 -1.52 0.00 0.00 175.55 173.77 1oga s THR 68 N -2.98 0.02 0.36 -3.49 -1.32 -0.64 -1.54 115.64 106.06 1oga s THR 68 Ca -0.02 -0.20 -0.26 0.00 -1.21 0.00 0.00 61.69 60.00 1oga s THR 68 Cb 0.00 -0.72 -0.09 0.00 -1.51 0.00 0.00 72.50 70.18 1oga s THR 68 CO -0.06 -0.11 1.09 -0.70 -2.21 0.00 0.00 174.62 172.63 1oga s GLU 69 N -0.74 4.29 0.15 7.08 2.12 -1.26 -0.53 118.70 129.81 1oga s GLU 69 Ca -0.08 1.68 -0.20 0.00 0.36 0.00 0.00 54.97 56.73 1oga s GLU 69 Cb -0.03 -2.78 0.05 0.00 0.26 0.00 0.00 34.13 31.63 1oga s GLU 69 CO 0.04 -0.07 0.51 -0.59 -0.54 0.00 0.00 175.26 174.62 1oga s PHE 70 N -1.45 -0.35 -0.32 5.30 -0.71 0.06 -4.84 117.98 115.67 1oga s PHE 70 Ca 0.53 0.08 0.03 0.00 -1.04 0.00 0.00 56.93 56.53 1oga s PHE 70 Cb -0.27 0.42 0.10 0.00 -1.21 0.00 0.00 43.02 42.06 1oga s PHE 70 CO 0.34 -0.80 0.05 0.99 -1.34 0.00 0.00 175.22 174.46 1oga s THR 71 N -3.79 1.88 0.76 -4.49 2.01 -1.26 -0.10 115.64 110.65 1oga s THR 71 Ca 0.03 -2.03 -0.13 0.00 0.31 0.00 0.00 61.69 59.87 1oga s THR 71 Cb 0.00 -2.37 0.05 0.00 0.01 0.00 0.00 72.50 70.19 1oga s THR 71 CO -0.11 -0.57 1.15 -2.16 -0.69 0.00 0.00 174.62 172.23 1oga s PRO 72 N 1.11 2.12 0.33 4.92 0.04 -1.26 -4.77 135.00 137.49 1oga s PRO 72 Ca 0.09 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.70 1oga s PRO 72 Cb -0.19 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1oga s PRO 72 CO -0.12 -1.80 0.27 0.95 0.04 0.00 0.00 177.00 176.34 1oga s THR 73 N -2.40 0.02 0.17 1.26 -4.23 -1.26 -0.63 115.64 108.57 1oga s THR 73 Ca 0.68 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1oga s THR 73 Cb -0.23 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 1oga s THR 73 CO 0.49 0.00 1.43 -0.08 -0.54 0.00 0.00 174.62 175.92 1oga h GLU 74 N 2.15 0.51 0.01 3.99 4.81 -1.97 -3.35 114.58 120.72 1oga h GLU 74 Ca -0.26 -0.39 -0.29 0.00 -0.13 0.00 0.00 59.36 58.30 1oga h GLU 74 Cb 1.23 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1oga h GLU 74 CO 0.38 1.02 -1.64 0.87 -0.73 0.00 0.00 179.01 178.90 1oga h LYS 75 N 0.36 0.01 -6.76 1.92 1.79 -2.02 -3.47 116.57 108.40 1oga h LYS 75 Ca -0.02 -0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 57.91 1oga h LYS 75 Cb 1.27 0.01 0.03 0.00 -1.58 0.00 0.00 32.23 31.95 1oga h LYS 75 CO 0.13 0.57 0.54 -0.51 -1.08 0.00 0.00 179.45 179.09 1oga s ASP 76 N -6.19 7.11 -0.09 0.86 1.01 -1.26 -5.04 116.67 113.07 1oga s ASP 76 Ca -0.05 2.32 -0.00 0.00 0.71 0.00 0.00 52.55 55.53 1oga s ASP 76 Cb 0.08 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1oga s ASP 76 CO 0.82 -0.31 -0.06 -0.70 0.21 0.00 0.00 175.17 175.14 1oga s GLU 77 N -0.98 2.98 0.13 8.23 2.12 -1.26 -4.72 118.70 125.20 1oga s GLU 77 Ca 0.49 -0.53 0.10 0.00 0.36 0.00 0.00 54.97 55.38 1oga s GLU 77 Cb -0.34 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 1oga s GLU 77 CO 0.41 0.57 -0.23 0.71 -0.54 0.00 0.00 175.26 176.18 1oga s TYR 78 N -0.54 2.05 0.21 5.30 2.02 -1.26 -0.15 117.35 124.98 1oga s TYR 78 Ca 0.08 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 1oga s TYR 78 Cb -0.12 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.37 1oga s TYR 78 CO 0.02 0.31 0.56 0.00 -1.57 0.00 0.00 175.55 174.86 1oga s ALA 79 N -1.29 -0.94 -0.05 3.71 0.00 -0.77 -0.56 121.76 121.86 1oga s ALA 79 Ca 0.12 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1oga s ALA 79 Cb -0.09 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1oga s ALA 79 CO 0.06 -0.85 -0.25 0.00 0.00 0.00 0.00 175.76 174.72 1oga s ARG 81 N -0.24 3.48 -0.04 0.00 3.52 0.25 -1.11 118.95 124.81 1oga s ARG 81 Ca -0.01 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 55.03 1oga s ARG 81 Cb -0.13 -2.86 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1oga s ARG 81 CO 0.03 0.09 -0.18 0.08 -0.81 0.00 0.00 175.30 174.51 1oga s VAL 82 N 0.73 1.47 0.02 7.11 1.01 0.08 -1.20 120.40 129.63 1oga s VAL 82 Ca -0.03 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1oga s VAL 82 Cb -0.15 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1oga s VAL 82 CO 0.02 0.42 -0.11 0.21 0.00 0.00 0.00 175.10 175.64 1oga s ASN 83 N -0.06 1.30 0.07 3.32 3.04 -0.38 -0.64 114.94 121.59 1oga s ASN 83 Ca -0.02 -0.37 -0.21 0.00 0.04 0.00 0.00 52.86 52.31 1oga s ASN 83 Cb -0.11 -0.09 0.05 0.00 -1.54 0.00 0.00 41.25 39.56 1oga s ASN 83 CO 0.02 0.02 0.49 -2.28 -3.04 0.00 0.00 177.10 172.31 1oga s HIS 84 N -0.71 -0.37 0.55 0.43 5.65 -1.26 -1.32 115.29 118.25 1oga s HIS 84 Ca 0.00 0.32 0.24 0.00 0.25 0.00 0.00 55.06 55.87 1oga s HIS 84 Cb -0.07 0.33 1.45 0.00 -1.18 0.00 0.00 32.58 33.12 1oga s HIS 84 CO 0.01 -0.66 2.08 -0.24 -0.65 0.00 0.00 174.74 175.28 1oga h VAL 85 N 2.67 0.72 0.00 0.89 3.04 -1.95 -0.96 116.25 120.66 1oga h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1oga h VAL 85 Cb 1.23 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1oga h VAL 85 CO 0.42 0.00 0.00 0.71 -1.01 0.00 0.00 177.57 177.69 1oga h THR 86 N 0.00 0.00 -3.29 3.17 1.35 -1.91 -3.44 112.91 108.79 1oga h THR 86 Ca 0.12 -0.45 -0.57 0.00 -0.55 0.00 0.00 66.41 64.96 1oga h THR 86 Cb 0.52 1.35 -0.05 0.00 -1.73 0.00 0.00 68.15 68.24 1oga h THR 86 CO -0.00 0.00 -0.01 -0.76 -0.25 0.00 0.00 175.52 174.50 1oga s LEU 87 N -4.95 4.46 0.27 3.87 1.43 -0.37 -4.96 118.68 118.44 1oga s LEU 87 Ca 0.06 1.22 0.09 0.00 -1.03 0.00 0.00 54.13 54.47 1oga s LEU 87 Cb 0.10 -2.93 0.36 0.00 0.03 0.00 0.00 46.19 43.75 1oga s LEU 87 CO 0.52 0.16 1.62 0.77 0.23 0.00 0.00 176.35 179.65 1oga h SER 88 N 5.23 0.07 -5.09 2.29 4.64 -1.86 -3.46 113.55 115.36 1oga h SER 88 Ca -0.47 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 1oga h SER 88 Cb 1.21 -0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1oga h SER 88 CO 0.67 0.64 -0.18 -1.10 -0.87 0.00 0.00 176.83 176.00 1oga s GLN 89 N -3.71 0.96 0.78 4.77 -0.21 -1.26 -5.15 119.66 115.85 1oga s GLN 89 Ca -0.02 -0.72 -0.14 0.00 0.02 0.00 0.00 55.36 54.50 1oga s GLN 89 Cb 0.13 0.42 0.06 0.00 1.00 0.00 0.00 33.01 34.62 1oga s GLN 89 CO 0.77 -0.35 1.18 -2.30 -2.12 0.00 0.00 175.29 172.47 1oga n PRO 90 N -0.02 0.32 -4.74 2.91 -0.02 -1.26 -4.94 135.00 127.25 1oga n PRO 90 Ca -0.16 0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 1oga n PRO 90 Cb 0.63 -2.42 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 1oga n PRO 90 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1oga s LYS 91 N -3.95 2.95 -0.16 -0.52 1.02 0.18 -4.95 119.74 114.31 1oga s LYS 91 Ca 0.74 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 56.07 1oga s LYS 91 Cb -0.31 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1oga s LYS 91 CO 0.50 0.47 -0.06 0.42 -0.92 0.00 0.00 175.35 175.76 1oga s ILE 92 N -0.32 3.61 -0.17 2.17 -1.09 -1.26 -0.74 121.20 123.40 1oga s ILE 92 Ca 0.03 -0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 1oga s ILE 92 Cb -0.13 -2.58 0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1oga s ILE 92 CO 0.02 0.48 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.39 1oga s VAL 93 N 0.61 1.70 0.28 2.92 1.01 -0.27 -4.97 120.40 121.69 1oga s VAL 93 Ca -0.04 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 1oga s VAL 93 Cb -0.15 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1oga s VAL 93 CO 0.03 0.38 0.97 -0.75 0.00 0.00 0.00 175.10 175.73 1oga s LYS 94 N 1.41 4.69 0.03 2.72 2.20 -1.26 -0.89 119.74 128.64 1oga s LYS 94 Ca 0.03 1.48 -0.30 0.00 -0.36 0.00 0.00 55.97 56.82 1oga s LYS 94 Cb -0.14 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1oga s LYS 94 CO -0.10 0.35 1.18 -0.46 -0.36 0.00 0.00 175.35 175.96 1oga s TRP 95 N -1.36 3.39 -0.19 4.03 -0.00 0.28 -4.92 118.94 120.17 1oga s TRP 95 Ca 0.46 1.32 -0.01 0.00 -0.00 0.00 0.00 56.10 57.86 1oga s TRP 95 Cb -0.24 -3.39 0.01 0.00 -0.00 0.00 0.00 33.47 29.85 1oga s TRP 95 CO 0.30 -1.16 -0.13 0.34 -0.00 0.00 0.00 176.95 176.30 1oga s ASP 96 N 1.17 3.67 0.34 5.86 -1.08 -1.26 -4.75 116.67 120.61 1oga s ASP 96 Ca 0.57 -0.52 0.24 0.00 -0.52 0.00 0.00 52.55 52.32 1oga s ASP 96 Cb -0.27 -1.59 1.23 0.00 -1.46 0.00 0.00 42.92 40.82 1oga s ASP 96 CO 0.27 0.00 1.72 0.08 0.52 0.00 0.00 175.17 177.77 1oga h ARG 97 N 7.93 0.00 -0.62 4.34 0.11 -1.95 -1.73 114.38 122.46 1oga h ARG 97 Ca -0.43 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.26 1oga h ARG 97 Cb 1.15 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 32.00 1oga h ARG 97 CO 0.62 0.00 -0.04 -3.47 0.10 0.00 0.00 179.97 177.17 1oga n ASP 98 N -2.33 4.15 0.00 0.08 4.64 -1.26 -4.69 116.55 117.14 1oga n ASP 98 Ca -0.01 -3.78 0.00 0.00 -1.38 0.00 0.00 54.79 49.63 1oga n ASP 98 Cb 0.08 -0.64 0.00 0.00 -1.04 0.00 0.00 41.12 39.52 1oga n ASP 98 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61