#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqi n SER 2 N 0.00 -0.42 -3.90 1.61 3.41 -1.26 -4.91 113.62 108.15 2gqi n SER 2 Ca 0.00 -1.26 -0.18 0.00 -0.26 0.00 0.00 58.87 57.17 2gqi n SER 2 Cb 0.00 -1.63 -0.16 0.00 -0.26 0.00 0.00 64.21 62.16 2gqi n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2gqi s SER 3 N -3.84 0.71 0.00 4.04 0.01 -1.26 -5.12 113.70 108.24 2gqi s SER 3 Ca 0.40 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2gqi s SER 3 Cb -0.23 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.73 2gqi s SER 3 CO 1.01 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 175.25 2gqi n GLY 4 N 3.66 4.40 2.78 3.44 0.00 -1.26 -5.03 105.19 113.17 2gqi n GLY 4 Ca -0.21 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2gqi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2gqi n SER 5 N 0.00 7.37 -3.65 1.61 2.88 -1.26 -4.85 113.62 115.72 2gqi n SER 5 Ca 0.00 -3.82 -0.25 0.00 -1.33 0.00 0.00 58.87 53.47 2gqi n SER 5 Cb 0.00 -1.01 -0.05 0.00 -0.75 0.00 0.00 64.21 62.40 2gqi n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2gqi n SER 6 N -0.60 -1.45 0.00 -3.46 3.41 -1.26 -4.48 113.62 105.77 2gqi n SER 6 Ca 0.55 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2gqi n SER 6 Cb 0.34 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 2gqi n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gqi n GLY 7 N -0.82 2.80 3.95 5.00 0.00 -1.26 -5.16 105.19 109.71 2gqi n GLY 7 Ca 0.07 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 2gqi n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gqi s ARG 8 N -1.54 3.04 0.03 1.61 3.52 -1.26 -5.05 118.95 119.30 2gqi s ARG 8 Ca 0.00 -0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 55.11 2gqi s ARG 8 Cb 0.00 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 2gqi s ARG 8 CO 0.00 -0.31 0.03 1.03 -0.81 0.00 0.00 175.30 175.23 2gqi s ARG 9 N -4.59 0.45 0.06 5.12 1.81 -1.26 -3.29 118.95 117.26 2gqi s ARG 9 Ca 0.49 -0.71 -0.06 0.00 -1.72 0.00 0.00 55.73 53.72 2gqi s ARG 9 Cb -0.10 0.17 -0.01 0.00 -0.45 0.00 0.00 34.95 34.56 2gqi s ARG 9 CO 0.38 -0.09 0.12 0.14 -0.68 0.00 0.00 175.30 175.17 2gqi s VAL 10 N -2.13 0.15 -0.02 3.52 -7.23 -1.15 -2.60 120.40 110.94 2gqi s VAL 10 Ca -0.09 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 2gqi s VAL 10 Cb -0.05 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.69 2gqi s VAL 10 CO -0.03 -0.70 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.39 2gqi s ARG 11 N -3.40 0.76 -0.33 4.82 3.52 -0.59 -2.01 118.95 121.73 2gqi s ARG 11 Ca 0.02 -0.23 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 2gqi s ARG 11 Cb 0.03 -0.74 0.00 0.00 -1.56 0.00 0.00 34.95 32.69 2gqi s ARG 11 CO -0.08 0.08 1.40 0.00 -0.81 0.00 0.00 175.30 175.89 2gqi s ALA 12 N 0.21 3.22 -0.35 6.12 0.00 -0.60 -0.49 121.76 129.87 2gqi s ALA 12 Ca -0.03 0.06 0.27 0.00 0.00 0.00 0.00 51.96 52.26 2gqi s ALA 12 Cb -0.08 -3.85 0.83 0.00 0.00 0.00 0.00 23.12 20.01 2gqi s ALA 12 CO 0.00 -2.05 1.77 -0.84 0.00 0.00 0.00 175.76 174.63 2gqi h ILE 13 N 6.20 0.00 -3.12 0.00 3.07 -1.79 0.13 117.51 122.00 2gqi h ILE 13 Ca -0.28 -0.64 -0.09 0.00 1.55 0.00 0.00 64.86 65.39 2gqi h ILE 13 Cb 1.11 1.60 -0.18 0.00 -0.27 0.00 0.00 36.82 39.09 2gqi h ILE 13 CO 1.05 0.00 -0.21 -0.76 -1.05 0.00 0.00 178.15 177.18 2gqi s LEU 14 N -5.61 0.71 0.34 0.16 1.43 -1.25 -4.83 118.68 109.63 2gqi s LEU 14 Ca 0.06 -0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 2gqi s LEU 14 Cb 0.08 1.46 -0.09 0.00 0.03 0.00 0.00 46.19 47.67 2gqi s LEU 14 CO 0.58 -0.58 1.21 -2.16 0.23 0.00 0.00 176.35 175.63 2gqi s PRO 15 N -2.16 4.32 0.03 1.29 0.04 -1.26 -4.34 135.00 132.92 2gqi s PRO 15 Ca -0.08 2.00 0.03 0.00 0.04 0.00 0.00 61.00 62.99 2gqi s PRO 15 Cb -0.02 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 2gqi s PRO 15 CO -0.01 -0.14 -0.09 -0.47 0.04 0.00 0.00 177.00 176.33 2gqi s TYR 16 N -1.23 0.77 -0.30 0.56 5.04 -0.97 -4.96 117.35 116.25 2gqi s TYR 16 Ca 0.51 -0.36 -0.10 0.00 -2.44 0.00 0.00 57.07 54.68 2gqi s TYR 16 Cb -0.35 -0.46 -0.02 0.00 0.35 0.00 0.00 41.96 41.47 2gqi s TYR 16 CO 0.46 -0.03 0.16 0.99 -1.34 0.00 0.00 175.55 175.79 2gqi s THR 17 N -0.92 4.82 0.98 4.34 2.01 -1.26 -3.09 115.64 122.51 2gqi s THR 17 Ca -0.04 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 2gqi s THR 17 Cb -0.07 -3.39 0.13 0.00 0.01 0.00 0.00 72.50 69.18 2gqi s THR 17 CO 0.01 0.14 0.83 2.29 -0.69 0.00 0.00 174.62 177.19 2gqi n LYS 18 N 5.01 -0.79 -4.31 4.92 2.85 -1.26 -4.97 118.16 119.61 2gqi n LYS 18 Ca -0.14 -0.18 -0.35 0.00 -1.05 0.00 0.00 58.31 56.59 2gqi n LYS 18 Cb 0.50 -2.15 -0.10 0.00 -0.65 0.00 0.00 35.03 32.64 2gqi n LYS 18 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2gqi s VAL 19 N -2.51 4.37 0.41 0.58 1.01 -1.26 -4.97 120.40 118.04 2gqi s VAL 19 Ca 0.63 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 2gqi s VAL 19 Cb -0.22 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 2gqi s VAL 19 CO 0.62 0.58 1.18 -2.16 0.00 0.00 0.00 175.10 175.32 2gqi s PRO 20 N -0.59 3.99 -0.56 2.72 0.04 -1.26 -3.52 135.00 135.82 2gqi s PRO 20 Ca 0.10 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 2gqi s PRO 20 Cb -0.12 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2gqi s PRO 20 CO 0.02 -0.38 0.30 -3.47 0.04 0.00 0.00 177.00 173.51 2gqi n ASP 21 N -0.01 -3.40 -3.90 6.66 2.03 -1.26 -5.03 116.55 111.64 2gqi n ASP 21 Ca 0.05 -0.14 -0.08 0.00 0.52 0.00 0.00 54.79 55.13 2gqi n ASP 21 Cb 0.46 -2.20 -0.04 0.00 -0.72 0.00 0.00 41.12 38.63 2gqi n ASP 21 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2gqi s THR 22 N -2.89 0.00 -0.47 5.18 -4.23 -1.23 -5.03 115.64 106.99 2gqi s THR 22 Ca 0.15 -1.15 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 2gqi s THR 22 Cb -0.07 -2.02 0.25 0.00 1.34 0.00 0.00 72.50 72.00 2gqi s THR 22 CO 0.19 -0.02 1.10 0.47 -0.54 0.00 0.00 174.62 175.81 2gqi n ASP 23 N -0.40 2.89 -4.85 3.99 9.92 -1.26 -4.91 116.55 121.92 2gqi n ASP 23 Ca -0.04 -2.41 -0.32 0.00 -0.53 0.00 0.00 54.79 51.49 2gqi n ASP 23 Cb 0.61 -0.59 -0.02 0.00 -0.64 0.00 0.00 41.12 40.48 2gqi n ASP 23 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2gqi s GLU 24 N -1.34 3.86 0.05 -1.24 0.41 -1.26 -3.19 118.70 115.98 2gqi s GLU 24 Ca 0.18 0.90 0.05 0.00 -0.41 0.00 0.00 54.97 55.69 2gqi s GLU 24 Cb 0.15 -2.12 -0.02 0.00 -1.78 0.00 0.00 34.13 30.35 2gqi s GLU 24 CO 0.04 -0.34 -0.13 0.96 -0.49 0.00 0.00 175.26 175.30 2gqi s ILE 25 N -2.76 1.05 -0.10 -1.63 -4.36 -1.26 -4.71 121.20 107.43 2gqi s ILE 25 Ca 0.58 -1.08 -0.17 0.00 -0.26 0.00 0.00 60.65 59.71 2gqi s ILE 25 Cb -0.10 -0.98 -0.04 0.00 1.25 0.00 0.00 42.46 42.59 2gqi s ILE 25 CO 0.37 -0.10 0.46 -0.94 0.24 0.00 0.00 174.94 174.97 2gqi s SER 26 N -1.34 6.69 0.24 4.36 1.04 -1.26 -4.19 113.70 119.25 2gqi s SER 26 Ca -0.00 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.26 2gqi s SER 26 Cb -0.09 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 2gqi s SER 26 CO 0.01 0.06 0.14 0.72 0.98 0.00 0.00 173.24 175.15 2gqi s PHE 27 N 0.35 1.38 0.35 5.02 -0.12 -1.18 -4.97 117.98 118.81 2gqi s PHE 27 Ca 0.25 -1.36 0.04 0.00 -0.05 0.00 0.00 56.93 55.81 2gqi s PHE 27 Cb -0.15 -0.70 -0.06 0.00 -0.63 0.00 0.00 43.02 41.47 2gqi s PHE 27 CO 0.10 -0.57 0.05 -0.51 -0.05 0.00 0.00 175.22 174.24 2gqi s LEU 28 N -3.25 2.29 -0.02 -1.99 1.43 -1.26 -2.30 118.68 113.58 2gqi s LEU 28 Ca 0.38 -1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 51.79 2gqi s LEU 28 Cb 0.06 -0.46 -0.08 0.00 0.03 0.00 0.00 46.19 45.74 2gqi s LEU 28 CO 0.15 -0.60 2.02 -0.75 0.23 0.00 0.00 176.35 177.39 2gqi s LYS 29 N -3.85 3.91 0.00 1.70 2.20 -1.26 -1.81 119.74 120.63 2gqi s LYS 29 Ca 0.35 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 2gqi s LYS 29 Cb 0.08 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 2gqi s LYS 29 CO 0.16 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.34 2gqi n GLY 30 N 4.81 1.10 3.62 5.54 0.00 0.46 -4.99 105.19 115.74 2gqi n GLY 30 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 2gqi n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gqi n ASP 31 N 0.00 2.00 -4.75 1.61 9.92 -0.75 -4.60 116.55 119.98 2gqi n ASP 31 Ca 0.00 1.15 -0.26 0.00 -0.53 0.00 0.00 54.79 55.15 2gqi n ASP 31 Cb 0.00 -1.33 -0.06 0.00 -0.64 0.00 0.00 41.12 39.09 2gqi n ASP 31 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2gqi s MET 32 N -0.65 2.72 0.26 -1.24 -1.94 -1.26 -1.56 119.30 115.63 2gqi s MET 32 Ca 0.68 -0.97 -0.04 0.00 -1.71 0.00 0.00 55.69 53.65 2gqi s MET 32 Cb -0.73 -2.54 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 2gqi s MET 32 CO 0.53 0.47 0.32 -0.06 -0.01 0.00 0.00 175.02 176.27 2gqi s PHE 33 N -1.77 0.97 -0.31 -0.03 0.40 -0.85 -0.22 117.98 116.17 2gqi s PHE 33 Ca 0.30 -1.20 0.03 0.00 -0.60 0.00 0.00 56.93 55.45 2gqi s PHE 33 Cb -0.10 -0.26 0.09 0.00 0.51 0.00 0.00 43.02 43.27 2gqi s PHE 33 CO 0.22 -0.87 0.03 0.42 0.70 0.00 0.00 175.22 175.71 2gqi s ILE 34 N -3.81 1.90 -0.56 0.64 1.09 -1.26 -2.93 121.20 116.28 2gqi s ILE 34 Ca 0.33 -1.94 -0.26 0.00 -1.10 0.00 0.00 60.65 57.67 2gqi s ILE 34 Cb 0.03 -2.33 -0.09 0.00 -1.06 0.00 0.00 42.46 39.01 2gqi s ILE 34 CO 0.15 -0.48 2.43 0.52 -0.10 0.00 0.00 174.94 177.45 2gqi n VAL 35 N 4.44 -0.07 -0.00 2.92 0.31 -1.21 -3.64 118.33 121.08 2gqi n VAL 35 Ca -0.01 -0.73 -0.20 0.00 -0.01 0.00 0.00 64.34 63.39 2gqi n VAL 35 Cb 0.42 -2.58 -0.14 0.00 -0.91 0.00 0.00 33.84 30.64 2gqi n VAL 35 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2gqi n HIS 36 N 16.00 1.18 -4.60 3.52 8.25 -0.74 -4.36 115.22 134.48 2gqi n HIS 36 Ca 0.40 0.26 -0.25 0.00 -0.26 0.00 0.00 57.72 57.87 2gqi n HIS 36 Cb 0.51 -1.16 -0.14 0.00 1.12 0.00 0.00 29.99 30.32 2gqi n HIS 36 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2gqi s ASN 37 N -6.93 2.36 -0.36 0.41 2.47 -1.17 -4.99 114.94 106.73 2gqi s ASN 37 Ca -0.21 -0.51 -0.01 0.00 0.42 0.00 0.00 52.86 52.55 2gqi s ASN 37 Cb 0.07 -0.19 0.09 0.00 -1.45 0.00 0.00 41.25 39.77 2gqi s ASN 37 CO 0.77 0.14 0.11 -1.61 -3.72 0.00 0.00 177.10 172.79 2gqi s GLU 38 N -1.18 1.97 0.71 0.43 2.02 -1.26 -2.37 118.70 119.03 2gqi s GLU 38 Ca 0.07 -1.69 -0.07 0.00 0.02 0.00 0.00 54.97 53.29 2gqi s GLU 38 Cb -0.09 -3.37 0.06 0.00 0.10 0.00 0.00 34.13 30.83 2gqi s GLU 38 CO 0.02 -0.92 1.03 -0.51 0.02 0.00 0.00 175.26 174.90 2gqi s LEU 39 N 1.10 2.79 -0.24 1.80 2.01 -0.96 -5.04 118.68 120.15 2gqi s LEU 39 Ca 0.05 0.52 -0.03 0.00 0.01 0.00 0.00 54.13 54.68 2gqi s LEU 39 Cb -0.21 -3.15 -0.18 0.00 0.01 0.00 0.00 46.19 42.66 2gqi s LEU 39 CO -0.05 -1.62 -0.13 -0.62 1.01 0.00 0.00 176.35 174.95 2gqi n GLU 40 N -2.96 0.66 -0.45 1.70 1.02 -1.26 -4.30 120.64 115.04 2gqi n GLU 40 Ca 0.08 0.20 0.41 0.00 -0.02 0.00 0.00 57.16 57.83 2gqi n GLU 40 Cb 0.60 -1.56 0.72 0.00 -0.02 0.00 0.00 31.44 31.19 2gqi n GLU 40 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2gqi h ASP 41 N -0.16 0.00 0.00 1.62 3.32 -2.04 -3.42 116.42 115.74 2gqi h ASP 41 Ca -0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2gqi h ASP 41 Cb 1.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.41 2gqi h ASP 41 CO -0.11 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.02 2gqi n GLY 42 N -1.81 1.76 3.53 2.75 0.00 -1.26 -5.14 105.19 105.02 2gqi n GLY 42 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 2gqi n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gqi s TRP 43 N -1.76 1.83 -0.22 1.61 0.52 -1.26 -3.53 118.94 116.13 2gqi s TRP 43 Ca 0.00 -1.19 -0.08 0.00 0.02 0.00 0.00 56.10 54.86 2gqi s TRP 43 Cb 0.00 -1.23 0.10 0.00 -1.15 0.00 0.00 33.47 31.19 2gqi s TRP 43 CO 0.00 -0.18 0.47 -1.64 0.02 0.00 0.00 176.95 175.62 2gqi s MET 44 N -3.76 0.39 -0.76 4.98 -1.94 -0.52 -2.26 119.30 115.42 2gqi s MET 44 Ca 0.24 1.13 -0.26 0.00 -1.71 0.00 0.00 55.69 55.09 2gqi s MET 44 Cb 0.04 0.45 -0.08 0.00 2.01 0.00 0.00 34.83 37.25 2gqi s MET 44 CO 0.13 -0.24 2.15 -0.46 -0.01 0.00 0.00 175.02 176.60 2gqi s TRP 45 N 2.63 1.45 0.38 -0.03 -0.11 -1.00 -3.28 118.94 118.99 2gqi s TRP 45 Ca -0.03 1.24 0.08 0.00 1.22 0.00 0.00 56.10 58.61 2gqi s TRP 45 Cb -0.12 -3.78 -0.03 0.00 -1.50 0.00 0.00 33.47 28.04 2gqi s TRP 45 CO -0.14 -1.89 0.27 0.14 -4.62 0.00 0.00 176.95 170.71 2gqi s VAL 46 N 11.80 2.90 -0.47 5.86 -7.23 -1.06 -1.78 120.40 130.43 2gqi s VAL 46 Ca 0.81 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.53 2gqi s VAL 46 Cb -0.11 -3.04 0.13 0.00 0.56 0.00 0.00 36.38 33.92 2gqi s VAL 46 CO 0.09 -0.08 0.23 -0.89 -0.31 0.00 0.00 175.10 174.14 2gqi s THR 47 N -2.44 2.09 0.16 5.32 2.01 -1.24 -2.11 115.64 119.43 2gqi s THR 47 Ca 0.43 -2.90 -0.24 0.00 0.31 0.00 0.00 61.69 59.29 2gqi s THR 47 Cb -0.03 -2.47 -0.14 0.00 0.01 0.00 0.00 72.50 69.88 2gqi s THR 47 CO 0.26 -0.81 0.45 -3.20 -0.69 0.00 0.00 174.62 170.62 2gqi n ASN 48 N 3.42 -1.00 0.04 3.53 2.85 -0.99 -4.00 115.26 119.12 2gqi n ASN 48 Ca 0.06 0.94 0.12 0.00 -0.11 0.00 0.00 54.58 55.58 2gqi n ASN 48 Cb 0.34 -0.79 0.17 0.00 1.24 0.00 0.00 39.78 40.74 2gqi n ASN 48 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2gqi n LEU 49 N 1.64 0.64 -0.09 1.20 4.77 0.69 -1.72 117.00 124.13 2gqi n LEU 49 Ca 0.15 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 56.12 2gqi n LEU 49 Cb 0.20 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 2gqi n LEU 49 CO 0.47 -0.01 -0.46 -0.09 -1.33 0.00 0.00 177.39 175.97 2gqi h ARG 50 N 0.00 0.00 0.00 3.23 2.43 -1.89 -3.39 114.38 114.76 2gqi h ARG 50 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2gqi h ARG 50 Cb 0.69 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2gqi h ARG 50 CO 0.00 0.65 -0.65 1.79 -1.51 0.00 0.00 179.97 180.25 2gqi h THR 51 N -1.00 0.11 -3.32 0.20 1.35 -1.94 -3.48 112.91 104.83 2gqi h THR 51 Ca -0.23 -1.18 -0.35 0.00 -0.55 0.00 0.00 66.41 64.10 2gqi h THR 51 Cb 1.03 1.79 0.02 0.00 -1.73 0.00 0.00 68.15 69.26 2gqi h THR 51 CO -0.14 0.06 -0.50 0.47 -0.25 0.00 0.00 175.52 175.16 2gqi n ASP 52 N -2.88 -5.40 -4.41 5.36 9.92 -0.70 -5.00 116.55 113.44 2gqi n ASP 52 Ca 0.01 -0.15 -0.29 0.00 -0.53 0.00 0.00 54.79 53.83 2gqi n ASP 52 Cb 0.58 -4.34 -0.13 0.00 -0.64 0.00 0.00 41.12 36.60 2gqi n ASP 52 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2gqi s GLU 53 N -5.26 1.58 0.02 -1.24 2.02 -1.25 -4.91 118.70 109.66 2gqi s GLU 53 Ca 0.15 -1.26 -0.20 0.00 0.02 0.00 0.00 54.97 53.68 2gqi s GLU 53 Cb -0.07 -1.97 -0.06 0.00 0.10 0.00 0.00 34.13 32.13 2gqi s GLU 53 CO 0.18 0.47 0.57 -0.65 0.02 0.00 0.00 175.26 175.85 2gqi s GLN 54 N -1.93 4.24 0.00 1.61 -0.21 -1.26 -2.34 119.66 119.77 2gqi s GLN 54 Ca 0.15 0.70 0.00 0.00 0.02 0.00 0.00 55.36 56.22 2gqi s GLN 54 Cb -0.10 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.61 2gqi s GLN 54 CO 0.06 0.49 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 2gqi n GLY 55 N 2.16 2.03 3.30 3.09 0.00 -0.90 -4.85 105.19 110.02 2gqi n GLY 55 Ca -0.09 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 2gqi n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gqi s LEU 56 N 0.00 2.50 0.07 0.99 1.43 -1.19 -2.55 118.68 119.92 2gqi s LEU 56 Ca 0.00 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2gqi s LEU 56 Cb 0.00 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2gqi s LEU 56 CO 0.00 0.13 -0.18 0.27 0.23 0.00 0.00 176.35 176.80 2gqi s ILE 57 N 0.54 1.41 0.05 -0.59 -4.36 -1.20 -4.55 121.20 112.50 2gqi s ILE 57 Ca -0.10 -1.27 -0.11 0.00 -0.26 0.00 0.00 60.65 58.91 2gqi s ILE 57 Cb -0.16 -1.28 -0.06 0.00 1.25 0.00 0.00 42.46 42.21 2gqi s ILE 57 CO 0.04 -0.02 0.40 0.54 0.24 0.00 0.00 174.94 176.14 2gqi s VAL 58 N -1.02 5.08 -1.10 8.37 0.11 -1.26 -1.44 120.40 129.15 2gqi s VAL 58 Ca 0.04 0.57 0.08 0.00 -2.93 0.00 0.00 61.98 59.73 2gqi s VAL 58 Cb -0.09 -3.66 0.08 0.00 -1.53 0.00 0.00 36.38 31.18 2gqi s VAL 58 CO 0.02 0.39 1.21 -1.84 -3.33 0.00 0.00 175.10 171.56 2gqi n GLU 59 N 1.22 0.03 0.00 1.54 0.28 -1.23 -1.11 120.64 121.37 2gqi n GLU 59 Ca -0.10 0.33 0.14 0.00 -0.16 0.00 0.00 57.16 57.37 2gqi n GLU 59 Cb 0.52 -1.50 0.53 0.00 1.43 0.00 0.00 31.44 32.42 2gqi n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2gqi n ASP 60 N -1.45 0.79 -0.09 -1.84 8.00 -1.26 -3.56 116.55 117.14 2gqi n ASP 60 Ca 0.02 -0.83 0.01 0.00 0.71 0.00 0.00 54.79 54.70 2gqi n ASP 60 Cb 0.08 0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2gqi n ASP 60 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2gqi n LEU 61 N -0.69 1.08 -4.28 0.64 4.77 -0.26 -5.02 117.00 113.23 2gqi n LEU 61 Ca 0.15 -0.94 -0.18 0.00 -0.03 0.00 0.00 56.01 55.00 2gqi n LEU 61 Cb 0.31 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 2gqi n LEU 61 CO 0.23 0.25 -0.15 0.68 -1.33 0.00 0.00 177.39 177.07 2gqi s VAL 62 N -0.32 0.05 -0.06 4.08 -7.23 -1.19 -2.44 120.40 113.28 2gqi s VAL 62 Ca 0.03 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 2gqi s VAL 62 Cb 0.02 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.48 2gqi s VAL 62 CO 0.04 0.00 0.18 -1.83 -0.31 0.00 0.00 175.10 173.18 2gqi s GLU 63 N -3.64 0.22 0.42 4.82 -1.05 0.36 -4.79 118.70 115.03 2gqi s GLU 63 Ca 0.39 0.22 -0.27 0.00 -0.15 0.00 0.00 54.97 55.17 2gqi s GLU 63 Cb 0.04 0.11 -0.10 0.00 -0.44 0.00 0.00 34.13 33.73 2gqi s GLU 63 CO 0.23 -0.03 1.45 -0.85 0.95 0.00 0.00 175.26 177.02 2gqi n GLU 64 N 2.92 2.44 -3.68 -4.83 0.00 -1.26 -1.54 120.64 114.68 2gqi n GLU 64 Ca -0.13 0.86 -0.10 0.00 0.00 0.00 0.00 57.16 57.79 2gqi n GLU 64 Cb 0.59 -2.64 -0.11 0.00 0.00 0.00 0.00 31.44 29.28 2gqi n GLU 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2gqi s VAL 65 N -1.16 -0.21 -0.00 3.84 0.11 -1.07 -4.87 120.40 117.04 2gqi s VAL 65 Ca 0.57 0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.81 2gqi s VAL 65 Cb -0.46 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2gqi s VAL 65 CO 0.60 0.05 -0.21 -0.55 -3.33 0.00 0.00 175.10 171.66 2gqi s SER 66 N 1.77 2.48 0.00 3.54 0.15 -1.26 -4.21 113.70 116.17 2gqi s SER 66 Ca -0.07 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2gqi s SER 66 Cb -0.10 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2gqi s SER 66 CO -0.12 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2gqi n GLY 67 N 2.43 -2.61 3.64 9.45 0.00 -1.26 -4.86 105.19 111.98 2gqi n GLY 67 Ca -0.16 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 2gqi n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqi s PRO 68 N -4.01 3.91 0.38 1.61 0.04 -1.26 -5.00 135.00 130.66 2gqi s PRO 68 Ca 0.00 1.75 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 2gqi s PRO 68 Cb 0.00 -4.00 -0.07 0.00 0.04 0.00 0.00 34.50 30.48 2gqi s PRO 68 CO 0.00 -1.15 0.74 -1.12 0.04 0.00 0.00 177.00 175.51 2gqi s SER 69 N 3.82 6.54 -1.63 6.66 0.01 -1.26 -4.07 113.70 123.77 2gqi s SER 69 Ca 0.70 1.10 -0.16 0.00 1.31 0.00 0.00 55.95 58.90 2gqi s SER 69 Cb -0.26 -2.31 0.12 0.00 0.21 0.00 0.00 66.02 63.79 2gqi s SER 69 CO 0.28 -0.35 0.82 -0.24 0.41 0.00 0.00 173.24 174.16 2gqi n SER 70 N -1.13 -3.54 0.00 2.44 2.88 -1.26 -5.27 113.62 107.74 2gqi n SER 70 Ca 0.02 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 2gqi n SER 70 Cb 0.54 -3.13 0.00 0.00 -0.75 0.00 0.00 64.21 60.86 2gqi n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42