#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 0.73 -0.06 1.61 7.64 -1.26 -4.82 113.62 117.45 2gqi n SER 2 Ca 0.00 -1.14 -0.22 0.00 1.01 0.00 0.00 58.87 58.52 2gqi n SER 2 Cb 0.00 -1.42 -0.12 0.00 -1.01 0.00 0.00 64.21 61.65 2gqi n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2gqi n SER 3 N -2.53 2.00 0.00 6.43 7.64 -1.26 -5.07 113.62 120.84 2gqi n SER 3 Ca -0.27 0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2gqi n SER 3 Cb 0.61 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2gqi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gqi n GLY 4 N 1.75 3.82 3.64 0.23 0.00 -1.26 -5.09 105.19 108.27 2gqi n GLY 4 Ca -0.36 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 2gqi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqi s SER 5 N 0.00 6.47 -0.18 1.61 0.15 -1.26 -4.97 113.70 115.51 2gqi s SER 5 Ca 0.00 1.74 -0.16 0.00 0.70 0.00 0.00 55.95 58.23 2gqi s SER 5 Cb 0.00 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 2gqi s SER 5 CO 0.00 -1.17 0.47 -0.44 1.20 0.00 0.00 173.24 173.30 2gqi s SER 6 N 3.93 -0.50 -0.27 5.45 0.01 -1.26 -5.14 113.70 115.93 2gqi s SER 6 Ca 0.71 0.95 -0.01 0.00 1.31 0.00 0.00 55.95 58.91 2gqi s SER 6 Cb -0.26 0.96 0.15 0.00 0.21 0.00 0.00 66.02 67.07 2gqi s SER 6 CO 0.28 -0.17 0.43 -0.83 0.41 0.00 0.00 173.24 173.37 2gqi s GLY 7 N 0.35 -0.59 0.37 3.44 0.00 -1.26 -4.87 107.32 104.76 2gqi s GLY 7 Ca -0.01 0.93 -0.15 0.00 0.00 0.00 0.00 44.72 45.48 2gqi s GLY 7 CO -0.01 2.91 0.80 -1.60 0.00 0.00 0.00 173.10 175.21 2gqi s ARG 8 N 2.61 4.00 -0.08 2.90 3.52 -1.21 -4.88 118.95 125.81 2gqi s ARG 8 Ca 0.13 0.74 0.03 0.00 -0.13 0.00 0.00 55.73 56.50 2gqi s ARG 8 Cb -0.14 -2.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.88 2gqi s ARG 8 CO -0.20 0.06 -0.17 1.03 -0.81 0.00 0.00 175.30 175.20 2gqi s ARG 9 N -3.25 2.87 0.04 5.12 0.52 -1.26 -0.72 118.95 122.27 2gqi s ARG 9 Ca 0.55 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 2gqi s ARG 9 Cb -0.10 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 2gqi s ARG 9 CO 0.20 0.38 -0.07 0.14 0.02 0.00 0.00 175.30 175.97 2gqi s VAL 10 N -0.11 0.49 -0.02 3.52 -7.23 -1.24 -3.18 120.40 112.63 2gqi s VAL 10 Ca -0.03 -1.07 0.08 0.00 -1.81 0.00 0.00 61.98 59.15 2gqi s VAL 10 Cb -0.14 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 2gqi s VAL 10 CO 0.04 -0.40 -0.25 -0.60 -0.31 0.00 0.00 175.10 173.58 2gqi s ARG 11 N -1.58 1.98 -0.13 4.82 3.52 -0.80 -1.73 118.95 125.03 2gqi s ARG 11 Ca -0.11 -0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 54.32 2gqi s ARG 11 Cb -0.10 -1.92 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 2gqi s ARG 11 CO 0.00 0.53 1.39 0.00 -0.81 0.00 0.00 175.30 176.41 2gqi s ALA 12 N -0.58 3.64 -0.28 6.12 0.00 0.22 -1.02 121.76 129.87 2gqi s ALA 12 Ca 0.09 0.60 0.19 0.00 0.00 0.00 0.00 51.96 52.85 2gqi s ALA 12 Cb -0.09 -3.66 0.18 0.00 0.00 0.00 0.00 23.12 19.54 2gqi s ALA 12 CO -0.01 -1.26 1.48 -0.84 0.00 0.00 0.00 175.76 175.13 2gqi h ILE 13 N 5.53 0.43 -3.81 0.00 3.07 -1.74 0.15 117.51 121.15 2gqi h ILE 13 Ca -0.30 -1.62 -0.10 0.00 1.55 0.00 0.00 64.86 64.39 2gqi h ILE 13 Cb 1.13 2.18 -0.15 0.00 -0.27 0.00 0.00 36.82 39.71 2gqi h ILE 13 CO 0.97 0.25 -0.42 -0.76 -1.05 0.00 0.00 178.15 177.13 2gqi s LEU 14 N -6.28 1.56 0.41 0.16 1.43 -1.25 -4.76 118.68 109.96 2gqi s LEU 14 Ca 0.05 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 2gqi s LEU 14 Cb 0.07 0.89 -0.08 0.00 0.03 0.00 0.00 46.19 47.10 2gqi s LEU 14 CO 0.72 -0.66 1.18 -2.16 0.23 0.00 0.00 176.35 175.66 2gqi s PRO 15 N -3.51 3.99 0.01 1.29 0.04 -1.26 -4.36 135.00 131.21 2gqi s PRO 15 Ca 0.02 1.86 0.01 0.00 0.04 0.00 0.00 61.00 62.94 2gqi s PRO 15 Cb 0.04 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 2gqi s PRO 15 CO -0.09 -0.38 -0.05 -0.47 0.04 0.00 0.00 177.00 176.06 2gqi s TYR 16 N -1.42 0.40 -0.44 0.56 5.04 -0.97 -4.97 117.35 115.55 2gqi s TYR 16 Ca 0.58 -0.19 -0.09 0.00 -2.44 0.00 0.00 57.07 54.94 2gqi s TYR 16 Cb -0.31 -0.25 0.10 0.00 0.35 0.00 0.00 41.96 41.85 2gqi s TYR 16 CO 0.39 -0.04 0.30 0.99 -1.34 0.00 0.00 175.55 175.85 2gqi s THR 17 N -0.45 4.12 0.77 4.34 2.01 -1.26 -2.86 115.64 122.32 2gqi s THR 17 Ca -0.02 -1.65 -0.17 0.00 0.31 0.00 0.00 61.69 60.15 2gqi s THR 17 Cb -0.04 -3.64 -0.14 0.00 0.01 0.00 0.00 72.50 68.68 2gqi s THR 17 CO -0.00 -0.65 -0.45 2.29 -0.69 0.00 0.00 174.62 175.11 2gqi n LYS 18 N 4.88 0.01 -3.85 4.92 2.85 -1.26 -4.93 118.16 120.77 2gqi n LYS 18 Ca -0.08 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.81 2gqi n LYS 18 Cb 0.42 -1.04 -0.06 0.00 -0.65 0.00 0.00 35.03 33.70 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 -2.00 5.48 0.64 0.58 1.01 -1.26 -4.95 120.40 119.90 2gqi s VAL 19 Ca 0.48 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 2gqi s VAL 19 Cb -0.32 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2gqi s VAL 19 CO 0.75 0.60 1.11 -2.16 0.00 0.00 0.00 175.10 175.40 2gqi s PRO 20 N -0.88 2.87 -0.87 2.72 0.04 -1.26 -3.67 135.00 133.95 2gqi s PRO 20 Ca 0.15 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 2gqi s PRO 20 Cb -0.12 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2gqi s PRO 20 CO 0.04 -1.20 0.12 -0.25 0.04 0.00 0.00 177.00 175.74 2gqi n ASP 21 N -2.27 -3.66 -2.27 6.66 8.00 -1.26 -4.99 116.55 116.75 2gqi n ASP 21 Ca 0.11 -0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.46 2gqi n ASP 21 Cb 0.52 -2.77 -0.00 0.00 -0.02 0.00 0.00 41.12 38.84 2gqi n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2gqi n THR 22 N -3.96 0.00 -0.63 -3.53 -2.24 -1.24 -5.04 114.28 97.63 2gqi n THR 22 Ca -0.10 -0.97 0.09 0.00 -2.27 0.00 0.00 64.05 60.80 2gqi n THR 22 Cb 0.58 0.70 0.33 0.00 -2.10 0.00 0.00 70.33 69.84 2gqi n THR 22 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2gqi n ASP 23 N -1.60 4.52 -4.77 3.42 8.00 -1.26 -4.99 116.55 119.87 2gqi n ASP 23 Ca -0.02 -2.49 -0.38 0.00 0.71 0.00 0.00 54.79 52.61 2gqi n ASP 23 Cb 0.39 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 2gqi n ASP 23 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2gqi s GLU 24 N -1.91 3.80 0.05 -1.24 2.02 -1.26 -3.87 118.70 116.29 2gqi s GLU 24 Ca 0.47 1.86 0.08 0.00 0.02 0.00 0.00 54.97 57.41 2gqi s GLU 24 Cb 0.31 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 2gqi s GLU 24 CO 0.22 -0.54 -0.22 0.96 0.02 0.00 0.00 175.26 175.70 2gqi s ILE 25 N -1.47 2.52 0.20 -1.63 -4.36 -1.26 -4.60 121.20 110.60 2gqi s ILE 25 Ca 0.62 -1.31 -0.12 0.00 -0.26 0.00 0.00 60.65 59.58 2gqi s ILE 25 Cb -0.31 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.29 2gqi s ILE 25 CO 0.38 0.32 0.56 -0.94 0.24 0.00 0.00 174.94 175.50 2gqi s SER 26 N -1.44 6.72 0.24 4.36 1.04 -1.26 -4.31 113.70 119.04 2gqi s SER 26 Ca 0.14 1.00 -0.09 0.00 0.48 0.00 0.00 55.95 57.48 2gqi s SER 26 Cb -0.10 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 2gqi s SER 26 CO 0.04 -0.00 0.37 0.72 0.98 0.00 0.00 173.24 175.35 2gqi s PHE 27 N -1.67 0.63 0.28 5.02 -0.71 -1.13 -4.95 117.98 115.45 2gqi s PHE 27 Ca 0.44 -0.94 0.10 0.00 -1.04 0.00 0.00 56.93 55.48 2gqi s PHE 27 Cb -0.13 -0.05 -0.06 0.00 -1.21 0.00 0.00 43.02 41.58 2gqi s PHE 27 CO 0.20 -0.89 -0.13 -0.51 -1.34 0.00 0.00 175.22 172.54 2gqi s LEU 28 N -3.07 2.60 0.14 -1.99 2.01 -1.26 -2.29 118.68 114.82 2gqi s LEU 28 Ca 0.28 -1.11 -0.35 0.00 0.01 0.00 0.00 54.13 52.96 2gqi s LEU 28 Cb 0.02 -0.91 -0.16 0.00 0.01 0.00 0.00 46.19 45.15 2gqi s LEU 28 CO 0.10 -0.14 1.36 1.17 1.01 0.00 0.00 176.35 179.86 2gqi n LYS 29 N -0.62 1.46 0.00 1.70 4.81 -1.26 -1.02 118.16 123.24 2gqi n LYS 29 Ca -0.06 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 2gqi n LYS 29 Cb 0.62 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.50 2gqi n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gqi n GLY 30 N 2.58 2.93 3.57 3.14 0.00 0.54 -5.01 105.19 112.95 2gqi n GLY 30 Ca 0.17 -0.09 -0.48 0.00 0.00 0.00 0.00 46.02 45.62 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 0.24 1.26 -4.94 1.61 9.92 -0.19 -4.51 116.55 119.94 2gqi n ASP 31 Ca 0.00 1.15 -0.19 0.00 -0.53 0.00 0.00 54.79 55.21 2gqi n ASP 31 Cb 0.00 -1.21 -0.01 0.00 -0.64 0.00 0.00 41.12 39.25 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 -0.53 2.83 0.20 -1.24 -1.94 -1.26 -0.61 119.30 116.75 2gqi s MET 32 Ca 0.71 -1.25 -0.10 0.00 -1.71 0.00 0.00 55.69 53.34 2gqi s MET 32 Cb -0.84 -2.63 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 2gqi s MET 32 CO 0.53 -0.07 0.35 -0.06 -0.01 0.00 0.00 175.02 175.76 2gqi s PHE 33 N -2.31 0.41 -0.37 -0.03 0.40 -0.70 -2.70 117.98 112.67 2gqi s PHE 33 Ca 0.47 -0.76 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 2gqi s PHE 33 Cb -0.07 0.02 0.11 0.00 0.51 0.00 0.00 43.02 43.58 2gqi s PHE 33 CO 0.30 -0.82 0.10 0.42 0.70 0.00 0.00 175.22 175.92 2gqi s ILE 34 N -3.99 2.24 0.06 0.64 1.01 -1.15 -3.59 121.20 116.43 2gqi s ILE 34 Ca 0.20 -2.49 -0.30 0.00 0.00 0.00 0.00 60.65 58.06 2gqi s ILE 34 Cb 0.02 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.76 2gqi s ILE 34 CO 0.04 -0.65 1.87 -0.69 0.00 0.00 0.00 174.94 175.51 2gqi s VAL 35 N 0.70 2.91 -0.10 2.92 1.01 0.10 -2.83 120.40 125.12 2gqi s VAL 35 Ca 0.12 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 2gqi s VAL 35 Cb -0.20 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 2gqi s VAL 35 CO -0.07 -0.01 -0.12 1.41 0.00 0.00 0.00 175.10 176.31 2gqi n HIS 36 N 6.74 0.00 -4.63 5.22 8.25 -0.56 -3.31 115.22 126.93 2gqi n HIS 36 Ca 0.19 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.35 2gqi n HIS 36 Cb 0.40 -0.36 -0.17 0.00 1.12 0.00 0.00 29.99 30.99 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 -5.69 2.57 -0.49 0.41 2.47 -1.17 -4.96 114.94 108.08 2gqi s ASN 37 Ca -0.14 -0.46 -0.17 0.00 0.42 0.00 0.00 52.86 52.51 2gqi s ASN 37 Cb 0.05 -1.17 0.07 0.00 -1.45 0.00 0.00 41.25 38.75 2gqi s ASN 37 CO 0.18 0.05 0.51 -1.61 -3.72 0.00 0.00 177.10 172.52 2gqi s GLU 38 N 0.82 3.05 1.07 0.43 2.02 -1.26 -0.27 118.70 124.56 2gqi s GLU 38 Ca -0.10 -1.12 -0.18 0.00 0.02 0.00 0.00 54.97 53.60 2gqi s GLU 38 Cb -0.16 -4.12 0.25 0.00 0.10 0.00 0.00 34.13 30.21 2gqi s GLU 38 CO 0.01 -1.13 1.28 -0.51 0.02 0.00 0.00 175.26 174.92 2gqi s LEU 39 N 2.15 2.04 -0.21 1.80 2.01 -0.13 -5.00 118.68 121.34 2gqi s LEU 39 Ca 0.10 0.28 -0.04 0.00 0.01 0.00 0.00 54.13 54.47 2gqi s LEU 39 Cb -0.22 -2.14 -0.11 0.00 0.01 0.00 0.00 46.19 43.73 2gqi s LEU 39 CO 0.09 -3.35 -0.22 -0.62 1.01 0.00 0.00 176.35 173.26 2gqi n GLU 40 N -4.18 0.47 -0.15 1.70 1.02 -1.26 -4.44 120.64 113.80 2gqi n GLU 40 Ca 0.16 0.15 0.27 0.00 -0.02 0.00 0.00 57.16 57.72 2gqi n GLU 40 Cb 0.59 -1.33 0.53 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.37 0.00 0.00 1.62 3.32 -2.03 -3.41 116.42 115.55 2gqi h ASP 41 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2gqi h ASP 41 Cb 1.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.13 2gqi h ASP 41 CO -0.19 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.94 2gqi n GLY 42 N -1.66 1.73 3.36 2.75 0.00 -1.26 -5.13 105.19 104.97 2gqi n GLY 42 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.77 1.66 -0.21 1.61 0.52 -1.26 -3.48 118.94 116.00 2gqi s TRP 43 Ca 0.00 -1.40 -0.08 0.00 0.02 0.00 0.00 56.10 54.64 2gqi s TRP 43 Cb 0.00 -0.89 0.09 0.00 -1.15 0.00 0.00 33.47 31.52 2gqi s TRP 43 CO 0.00 -0.53 0.46 -1.64 0.02 0.00 0.00 176.95 175.26 2gqi s MET 44 N -3.74 0.38 -0.72 4.98 -1.94 -1.12 -0.96 119.30 116.18 2gqi s MET 44 Ca 0.34 1.09 -0.26 0.00 -1.71 0.00 0.00 55.69 55.15 2gqi s MET 44 Cb 0.04 0.39 -0.10 0.00 2.01 0.00 0.00 34.83 37.17 2gqi s MET 44 CO 0.18 -0.23 2.31 -0.46 -0.01 0.00 0.00 175.02 176.82 2gqi s TRP 45 N 2.52 1.24 0.42 -0.03 -0.11 0.62 -3.92 118.94 119.69 2gqi s TRP 45 Ca -0.03 1.63 0.07 0.00 1.22 0.00 0.00 56.10 58.99 2gqi s TRP 45 Cb -0.11 -3.59 -0.03 0.00 -1.50 0.00 0.00 33.47 28.24 2gqi s TRP 45 CO -0.14 -1.88 0.33 0.14 -4.62 0.00 0.00 176.95 170.78 2gqi s VAL 46 N 13.18 2.53 -0.25 5.86 -7.23 -1.19 -1.50 120.40 131.80 2gqi s VAL 46 Ca 0.89 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2gqi s VAL 46 Cb -0.13 -2.96 0.07 0.00 0.56 0.00 0.00 36.38 33.92 2gqi s VAL 46 CO 0.12 0.00 0.03 -0.89 -0.31 0.00 0.00 175.10 174.05 2gqi s THR 47 N -2.52 0.97 0.58 5.32 2.01 -1.13 -2.44 115.64 118.42 2gqi s THR 47 Ca 0.46 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 2gqi s THR 47 Cb -0.01 -1.49 -0.10 0.00 0.01 0.00 0.00 72.50 70.90 2gqi s THR 47 CO 0.26 -0.34 0.36 -3.20 -0.69 0.00 0.00 174.62 171.01 2gqi n ASN 48 N 4.86 -1.71 0.04 3.53 2.85 -0.57 -2.92 115.26 121.33 2gqi n ASN 48 Ca -0.07 0.70 0.11 0.00 -0.11 0.00 0.00 54.58 55.21 2gqi n ASN 48 Cb 0.44 -1.10 -0.08 0.00 1.24 0.00 0.00 39.78 40.29 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 0.91 0.44 -0.04 1.20 4.77 -1.10 -2.73 117.00 120.45 2gqi n LEU 49 Ca 0.10 0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 2gqi n LEU 49 Cb 0.48 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2gqi n LEU 49 CO 0.52 -0.08 -0.11 -0.09 -1.33 0.00 0.00 177.39 176.30 2gqi h ARG 50 N 0.00 0.00 0.00 3.23 2.43 -1.91 -3.38 114.38 114.75 2gqi h ARG 50 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2gqi h ARG 50 Cb 0.97 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2gqi h ARG 50 CO 0.00 0.00 -0.47 1.79 -1.51 0.00 0.00 179.97 179.78 2gqi h THR 51 N -0.75 0.89 -3.58 0.20 1.35 -1.95 -3.47 112.91 105.59 2gqi h THR 51 Ca 0.00 -2.01 -0.24 0.00 -0.55 0.00 0.00 66.41 63.62 2gqi h THR 51 Cb 0.16 2.26 0.07 0.00 -1.73 0.00 0.00 68.15 68.91 2gqi h THR 51 CO 0.00 0.46 -0.39 -0.67 -0.25 0.00 0.00 175.52 174.67 2gqi n ASP 52 N -3.32 -4.49 -4.42 5.36 2.03 -1.11 -5.03 116.55 105.56 2gqi n ASP 52 Ca 0.01 -0.28 -0.25 0.00 0.52 0.00 0.00 54.79 54.79 2gqi n ASP 52 Cb 0.66 -3.15 -0.11 0.00 -0.72 0.00 0.00 41.12 37.80 2gqi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2gqi s GLU 53 N -5.63 1.51 0.04 -0.67 2.02 -1.25 -4.90 118.70 109.82 2gqi s GLU 53 Ca 0.30 -1.56 0.01 0.00 0.02 0.00 0.00 54.97 53.74 2gqi s GLU 53 Cb -0.13 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 2gqi s GLU 53 CO 0.37 0.36 0.12 -0.65 0.02 0.00 0.00 175.26 175.49 2gqi s GLN 54 N -2.88 3.12 0.00 1.61 1.11 -1.26 -1.51 119.66 119.84 2gqi s GLN 54 Ca 0.22 -0.53 0.00 0.00 0.01 0.00 0.00 55.36 55.06 2gqi s GLN 54 Cb -0.07 -2.88 0.00 0.00 -1.01 0.00 0.00 33.01 29.06 2gqi s GLN 54 CO 0.10 0.61 0.00 0.41 0.01 0.00 0.00 175.29 176.43 2gqi n GLY 55 N 0.69 1.67 3.27 3.09 0.00 -1.02 -4.82 105.19 108.07 2gqi n GLY 55 Ca -0.09 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 2.47 0.35 0.99 1.43 -1.25 -3.19 118.68 119.48 2gqi s LEU 56 Ca 0.00 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2gqi s LEU 56 Cb 0.00 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 2gqi s LEU 56 CO 0.00 0.11 0.04 0.27 0.23 0.00 0.00 176.35 176.99 2gqi s ILE 57 N 0.69 1.46 -0.00 -0.59 -4.36 -1.25 -4.53 121.20 112.62 2gqi s ILE 57 Ca -0.08 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.33 2gqi s ILE 57 Cb -0.16 -2.84 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 2gqi s ILE 57 CO 0.02 -0.02 -0.05 0.54 0.24 0.00 0.00 174.94 175.67 2gqi s VAL 58 N -3.10 3.76 -2.00 8.37 0.11 -1.26 -2.80 120.40 123.47 2gqi s VAL 58 Ca 0.36 -0.72 0.13 0.00 -2.93 0.00 0.00 61.98 58.82 2gqi s VAL 58 Cb 0.09 -2.64 0.36 0.00 -1.53 0.00 0.00 36.38 32.67 2gqi s VAL 58 CO 0.16 0.41 1.31 -1.84 -3.33 0.00 0.00 175.10 171.81 2gqi n GLU 59 N 1.57 0.76 0.00 1.54 0.28 -1.23 -2.34 120.64 121.23 2gqi n GLU 59 Ca -0.15 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 56.96 2gqi n GLU 59 Cb 0.53 -1.26 0.04 0.00 1.43 0.00 0.00 31.44 32.17 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 -0.76 2.41 -0.05 -1.84 8.00 -1.26 -4.17 116.55 118.87 2gqi n ASP 60 Ca 0.10 -1.70 0.02 0.00 0.71 0.00 0.00 54.79 53.91 2gqi n ASP 60 Cb 0.04 0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 0.52 0.50 -4.25 0.64 4.77 -0.99 -5.03 117.00 113.15 2gqi n LEU 61 Ca 0.11 -0.61 -0.17 0.00 -0.03 0.00 0.00 56.01 55.31 2gqi n LEU 61 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 2gqi n LEU 61 CO 0.23 0.11 -0.44 0.68 -1.33 0.00 0.00 177.39 176.65 2gqi s VAL 62 N -1.21 1.32 0.23 4.08 -7.23 -1.24 -1.98 120.40 114.37 2gqi s VAL 62 Ca 0.03 -1.86 0.11 0.00 -1.81 0.00 0.00 61.98 58.45 2gqi s VAL 62 Cb 0.04 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 2gqi s VAL 62 CO 0.16 -0.53 -0.21 -1.83 -0.31 0.00 0.00 175.10 172.38 2gqi s GLU 63 N -3.07 1.62 0.18 4.82 -1.05 -0.19 -4.85 118.70 116.17 2gqi s GLU 63 Ca 0.12 -1.61 -0.30 0.00 -0.15 0.00 0.00 54.97 53.04 2gqi s GLU 63 Cb -0.02 -1.84 -0.08 0.00 -0.44 0.00 0.00 34.13 31.75 2gqi s GLU 63 CO 0.03 0.37 1.05 -1.83 0.95 0.00 0.00 175.26 175.83 2gqi s GLU 64 N -3.03 4.65 -0.42 -4.83 -1.05 -1.26 -1.90 118.70 110.85 2gqi s GLU 64 Ca 0.25 1.64 0.05 0.00 -0.15 0.00 0.00 54.97 56.76 2gqi s GLU 64 Cb -0.07 -3.29 0.58 0.00 -0.44 0.00 0.00 34.13 30.91 2gqi s GLU 64 CO 0.12 0.16 1.76 1.33 0.95 0.00 0.00 175.26 179.59 2gqi n VAL 65 N 2.26 3.03 -1.78 1.83 0.24 -1.19 -4.94 118.33 117.77 2gqi n VAL 65 Ca 0.02 -2.43 -0.34 0.00 -2.04 0.00 0.00 64.34 59.55 2gqi n VAL 65 Cb 0.47 -0.54 0.05 0.00 -1.47 0.00 0.00 33.84 32.35 2gqi n VAL 65 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2gqi s SER 66 N -1.87 4.99 0.00 -1.34 0.15 -1.26 -4.86 113.70 109.51 2gqi s SER 66 Ca 0.54 2.15 0.00 0.00 0.70 0.00 0.00 55.95 59.34 2gqi s SER 66 Cb 0.46 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2gqi s SER 66 CO 0.05 -1.71 0.00 0.61 1.20 0.00 0.00 173.24 173.39 2gqi n GLY 67 N -0.09 2.54 0.19 9.45 0.00 -1.26 -4.93 105.19 111.10 2gqi n GLY 67 Ca 0.12 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 2gqi n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqi h PRO 68 N 0.00 0.62 -5.21 1.61 0.13 -2.07 -3.42 132.00 123.66 2gqi h PRO 68 Ca 0.00 -0.33 -0.62 0.00 -0.87 0.00 0.00 66.00 64.19 2gqi h PRO 68 Cb 0.00 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.01 2gqi h PRO 68 CO 0.00 0.93 -0.35 -1.54 -0.23 0.00 0.00 178.00 176.81 2gqi s SER 69 N -6.45 6.25 0.22 1.44 1.04 -1.26 -5.05 113.70 109.89 2gqi s SER 69 Ca -0.13 0.29 -0.23 0.00 0.48 0.00 0.00 55.95 56.36 2gqi s SER 69 Cb 0.08 -2.17 0.04 0.00 0.10 0.00 0.00 66.02 64.07 2gqi s SER 69 CO 0.81 -0.03 0.84 -0.94 0.98 0.00 0.00 173.24 174.90 2gqi s SER 70 N 1.18 -0.22 0.00 7.02 1.04 -1.26 -4.99 113.70 116.48 2gqi s SER 70 Ca 0.13 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2gqi s SER 70 Cb -0.14 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2gqi s SER 70 CO 0.07 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.77