#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqi s SER 2 N 0.00 5.49 -0.28 1.61 1.04 -1.26 -5.12 113.70 115.18 2gqi s SER 2 Ca 0.00 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 56.03 2gqi s SER 2 Cb 0.00 -1.27 0.13 0.00 0.10 0.00 0.00 66.02 64.97 2gqi s SER 2 CO 0.00 -0.16 0.59 -0.55 0.98 0.00 0.00 173.24 174.11 2gqi s SER 3 N -3.91 -0.95 0.00 7.02 0.15 -1.26 -5.14 113.70 109.60 2gqi s SER 3 Ca 0.36 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.41 2gqi s SER 3 Cb -0.07 2.08 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 2gqi s SER 3 CO 0.26 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2gqi n GLY 4 N 5.44 0.63 3.64 9.45 0.00 -1.26 -5.14 105.19 117.95 2gqi n GLY 4 Ca -0.11 -2.18 0.01 0.00 0.00 0.00 0.00 46.02 43.74 2gqi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gqi s SER 5 N -4.00 -0.08 0.17 1.61 1.04 -1.26 -5.15 113.70 106.03 2gqi s SER 5 Ca 0.00 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.28 2gqi s SER 5 Cb 0.00 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 2gqi s SER 5 CO 0.00 -0.40 -0.04 -0.55 0.98 0.00 0.00 173.24 173.23 2gqi s SER 6 N -2.97 1.54 -0.52 7.02 0.15 -1.26 -5.10 113.70 112.57 2gqi s SER 6 Ca 0.14 -1.12 0.07 0.00 0.70 0.00 0.00 55.95 55.75 2gqi s SER 6 Cb 0.04 0.05 0.30 0.00 -1.71 0.00 0.00 66.02 64.70 2gqi s SER 6 CO -0.03 -0.47 0.78 0.61 1.20 0.00 0.00 173.24 175.33 2gqi n GLY 7 N -0.25 4.49 3.62 9.45 0.00 -1.26 -4.50 105.19 116.75 2gqi n GLY 7 Ca -0.08 -2.33 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 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 -2.60 4.01 0.11 1.61 3.52 -1.24 -4.90 118.95 119.46 2gqi s ARG 8 Ca 0.42 0.77 -0.24 0.00 -0.13 0.00 0.00 55.73 56.56 2gqi s ARG 8 Cb 0.24 -3.72 -0.07 0.00 -1.56 0.00 0.00 34.95 29.84 2gqi s ARG 8 CO -0.09 -0.74 0.72 0.50 -0.81 0.00 0.00 175.30 174.89 2gqi s ARG 9 N 3.17 4.47 0.11 5.12 3.52 -1.26 -1.82 118.95 132.26 2gqi s ARG 9 Ca 0.37 1.04 0.03 0.00 -0.13 0.00 0.00 55.73 57.03 2gqi s ARG 9 Cb -0.14 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 2gqi s ARG 9 CO 0.13 0.51 -0.08 0.14 -0.81 0.00 0.00 175.30 175.19 2gqi s VAL 10 N -0.86 0.88 -0.02 7.11 -7.23 -1.25 -3.67 120.40 115.36 2gqi s VAL 10 Ca 0.35 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.72 2gqi s VAL 10 Cb -0.22 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 2gqi s VAL 10 CO 0.24 -0.73 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.52 2gqi s ARG 11 N -3.43 1.47 -0.80 4.82 3.52 -1.17 -2.22 118.95 121.13 2gqi s ARG 11 Ca 0.10 -0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 54.83 2gqi s ARG 11 Cb 0.02 -1.39 0.03 0.00 -1.56 0.00 0.00 34.95 32.05 2gqi s ARG 11 CO -0.02 0.35 1.36 0.00 -0.81 0.00 0.00 175.30 176.18 2gqi s ALA 12 N -0.33 2.69 -0.28 6.12 0.00 -0.78 -0.94 121.76 128.24 2gqi s ALA 12 Ca 0.05 -1.54 0.21 0.00 0.00 0.00 0.00 51.96 50.68 2gqi s ALA 12 Cb -0.08 -4.33 1.10 0.00 0.00 0.00 0.00 23.12 19.81 2gqi s ALA 12 CO -0.00 -3.43 1.65 0.44 0.00 0.00 0.00 175.76 174.42 2gqi n ILE 13 N 6.57 1.03 -3.65 0.00 -5.35 -1.17 -0.35 119.36 116.45 2gqi n ILE 13 Ca 0.12 0.64 -0.12 0.00 -0.27 0.00 0.00 62.75 63.11 2gqi n ILE 13 Cb 0.50 -1.62 -0.06 0.00 -1.74 0.00 0.00 39.64 36.71 2gqi n ILE 13 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2gqi s LEU 14 N -4.45 0.38 0.54 7.28 1.43 -1.26 -4.84 118.68 117.77 2gqi s LEU 14 Ca -0.01 -0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 52.83 2gqi s LEU 14 Cb 0.07 1.78 -0.06 0.00 0.03 0.00 0.00 46.19 48.00 2gqi s LEU 14 CO 0.23 -0.71 1.13 -2.16 0.23 0.00 0.00 176.35 175.07 2gqi s PRO 15 N -2.76 3.37 0.04 1.29 0.04 -1.26 -4.49 135.00 131.23 2gqi s PRO 15 Ca -0.03 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2gqi s PRO 15 Cb -0.00 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2gqi s PRO 15 CO -0.04 -0.84 -0.08 -0.47 0.04 0.00 0.00 177.00 175.61 2gqi s TYR 16 N -1.77 0.71 -0.46 0.56 5.04 -1.09 -4.99 117.35 115.37 2gqi s TYR 16 Ca 0.72 -0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 54.84 2gqi s TYR 16 Cb -0.24 -0.42 0.12 0.00 0.35 0.00 0.00 41.96 41.77 2gqi s TYR 16 CO 0.27 -0.07 0.27 0.99 -1.34 0.00 0.00 175.55 175.67 2gqi s THR 17 N -1.29 3.53 0.59 4.34 2.01 -1.26 -3.60 115.64 119.95 2gqi s THR 17 Ca -0.08 -2.16 -0.18 0.00 0.31 0.00 0.00 61.69 59.58 2gqi s THR 17 Cb -0.09 -3.38 -0.15 0.00 0.01 0.00 0.00 72.50 68.89 2gqi s THR 17 CO 0.01 -0.74 -0.25 2.29 -0.69 0.00 0.00 174.62 175.24 2gqi n LYS 18 N 4.47 0.00 -2.74 4.92 2.85 -1.26 -4.88 118.16 121.52 2gqi n LYS 18 Ca -0.01 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.84 2gqi n LYS 18 Cb 0.41 -0.99 -0.06 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.98 4.13 0.11 0.58 1.01 -1.26 -4.96 120.40 118.04 2gqi s VAL 19 Ca 0.53 2.07 -0.31 0.00 0.00 0.00 0.00 61.98 64.27 2gqi s VAL 19 Cb -0.44 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.55 2gqi s VAL 19 CO 0.68 0.46 1.36 -2.16 0.00 0.00 0.00 175.10 175.44 2gqi s PRO 20 N -0.96 4.34 -0.49 2.72 0.04 -1.26 -3.51 135.00 135.88 2gqi s PRO 20 Ca 0.42 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.49 2gqi s PRO 20 Cb -0.26 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.02 2gqi s PRO 20 CO 0.32 -0.40 0.41 -0.25 0.04 0.00 0.00 177.00 177.12 2gqi n ASP 21 N 3.87 -2.25 -3.76 6.66 8.00 -1.26 -5.05 116.55 122.75 2gqi n ASP 21 Ca 0.11 -0.26 -0.07 0.00 0.71 0.00 0.00 54.79 55.28 2gqi n ASP 21 Cb 0.43 -2.42 -0.02 0.00 -0.02 0.00 0.00 41.12 39.09 2gqi n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gqi s THR 22 N -3.15 0.00 0.07 -3.53 -4.23 -1.23 -5.03 115.64 98.54 2gqi s THR 22 Ca 0.02 -0.74 0.26 0.00 -1.18 0.00 0.00 61.69 60.05 2gqi s THR 22 Cb -0.00 -1.81 0.27 0.00 1.34 0.00 0.00 72.50 72.29 2gqi s THR 22 CO 0.30 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.65 2gqi h ASP 23 N 2.00 0.00 -1.51 3.99 3.32 -1.97 -3.46 116.42 118.79 2gqi h ASP 23 Ca -0.22 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.29 2gqi h ASP 23 Cb 1.25 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.94 2gqi h ASP 23 CO 0.26 0.17 -0.86 -0.62 -1.72 0.00 0.00 179.24 176.47 2gqi n GLU 24 N -3.29 0.00 -4.53 3.56 4.71 -1.26 -4.45 120.64 115.38 2gqi n GLU 24 Ca 0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.91 2gqi n GLU 24 Cb 0.42 -0.86 -0.14 0.00 -1.01 0.00 0.00 31.44 29.86 2gqi n GLU 24 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 2gqi s ILE 25 N -1.51 1.69 0.01 -3.67 -4.36 -1.26 -4.65 121.20 107.44 2gqi s ILE 25 Ca 0.51 -1.32 -0.08 0.00 -0.26 0.00 0.00 60.65 59.50 2gqi s ILE 25 Cb -0.52 -1.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 2gqi s ILE 25 CO 0.55 0.12 0.30 -0.94 0.24 0.00 0.00 174.94 175.21 2gqi s SER 26 N -1.42 6.55 0.12 4.36 1.04 -1.26 -4.31 113.70 118.78 2gqi s SER 26 Ca 0.07 0.65 -0.03 0.00 0.48 0.00 0.00 55.95 57.12 2gqi s SER 26 Cb -0.09 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 2gqi s SER 26 CO 0.03 0.26 0.10 0.72 0.98 0.00 0.00 173.24 175.32 2gqi s PHE 27 N -1.27 0.65 0.30 5.02 -0.71 -1.24 -4.96 117.98 115.78 2gqi s PHE 27 Ca 0.27 -1.06 0.08 0.00 -1.04 0.00 0.00 56.93 55.18 2gqi s PHE 27 Cb -0.14 -0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 2gqi s PHE 27 CO 0.15 -0.54 0.22 -0.51 -1.34 0.00 0.00 175.22 173.20 2gqi s LEU 28 N -2.99 3.61 0.17 -1.99 2.01 -1.26 -2.66 118.68 115.57 2gqi s LEU 28 Ca 0.18 -0.45 -0.33 0.00 0.01 0.00 0.00 54.13 53.54 2gqi s LEU 28 Cb 0.07 -2.18 -0.14 0.00 0.01 0.00 0.00 46.19 43.95 2gqi s LEU 28 CO -0.02 -0.21 1.53 1.17 1.01 0.00 0.00 176.35 179.83 2gqi n LYS 29 N -1.25 2.07 0.00 1.70 4.81 -1.26 -1.46 118.16 122.77 2gqi n LYS 29 Ca -0.04 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 2gqi n LYS 29 Cb 0.59 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.16 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 3.10 2.90 3.51 3.14 0.00 0.53 -4.98 105.19 113.40 2gqi n GLY 30 Ca 0.16 -0.26 -0.53 0.00 0.00 0.00 0.00 46.02 45.39 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 0.47 0.28 -4.98 1.61 9.92 -0.53 -4.38 116.55 118.94 2gqi n ASP 31 Ca 0.00 1.14 -0.19 0.00 -0.53 0.00 0.00 54.79 55.21 2gqi n ASP 31 Cb 0.00 -1.05 -0.01 0.00 -0.64 0.00 0.00 41.12 39.43 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 -0.32 3.18 0.32 -1.24 -1.94 -1.26 -1.86 119.30 116.16 2gqi s MET 32 Ca 0.78 -0.97 0.02 0.00 -1.71 0.00 0.00 55.69 53.82 2gqi s MET 32 Cb -1.03 -2.82 -0.01 0.00 2.01 0.00 0.00 34.83 32.98 2gqi s MET 32 CO 0.54 0.15 0.37 1.19 -0.01 0.00 0.00 175.02 177.26 2gqi n PHE 33 N -1.58 -1.10 -3.60 -0.03 3.01 -0.94 -1.71 117.46 111.50 2gqi n PHE 33 Ca -0.02 -2.35 -0.29 0.00 1.01 0.00 0.00 57.45 55.80 2gqi n PHE 33 Cb 0.58 0.41 -0.12 0.00 -0.01 0.00 0.00 39.48 40.34 2gqi n PHE 33 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2gqi s ILE 34 N -2.98 1.02 -0.35 4.37 1.01 -1.24 -3.75 121.20 119.27 2gqi s ILE 34 Ca 0.31 -2.52 -0.35 0.00 0.00 0.00 0.00 60.65 58.09 2gqi s ILE 34 Cb 0.00 -1.71 -0.12 0.00 0.01 0.00 0.00 42.46 40.65 2gqi s ILE 34 CO 0.22 -1.00 2.19 0.52 0.00 0.00 0.00 174.94 176.88 2gqi n VAL 35 N 3.39 0.18 -0.14 2.92 0.31 -0.75 -3.69 118.33 120.55 2gqi n VAL 35 Ca 0.15 -0.25 -0.25 0.00 -0.01 0.00 0.00 64.34 63.97 2gqi n VAL 35 Cb 0.38 -1.61 -0.11 0.00 -0.91 0.00 0.00 33.84 31.59 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 9.82 0.00 -4.35 3.52 8.25 -0.41 -3.71 115.22 128.35 2gqi n HIS 36 Ca 0.42 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.62 2gqi n HIS 36 Cb 0.22 -1.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.21 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 -7.09 2.73 -0.33 0.41 3.04 -1.16 -4.41 114.94 108.12 2gqi s ASN 37 Ca -0.37 -0.69 0.02 0.00 0.04 0.00 0.00 52.86 51.86 2gqi s ASN 37 Cb 0.12 -0.17 0.09 0.00 -1.54 0.00 0.00 41.25 39.76 2gqi s ASN 37 CO 0.54 0.10 0.04 -1.61 -3.04 0.00 0.00 177.10 173.13 2gqi s GLU 38 N -1.88 1.76 0.66 0.43 8.01 -1.26 -1.77 118.70 124.64 2gqi s GLU 38 Ca 0.08 -1.73 -0.11 0.00 0.01 0.00 0.00 54.97 53.22 2gqi s GLU 38 Cb -0.10 -3.21 0.16 0.00 -4.31 0.00 0.00 34.13 26.67 2gqi s GLU 38 CO 0.04 -0.87 0.62 1.28 0.01 0.00 0.00 175.26 176.34 2gqi n LEU 39 N 4.36 0.00 -0.04 1.80 7.99 -0.46 -5.02 117.00 125.64 2gqi n LEU 39 Ca -0.01 -0.66 -0.04 0.00 -0.01 0.00 0.00 56.01 55.28 2gqi n LEU 39 Cb 0.42 -0.55 -0.05 0.00 -0.11 0.00 0.00 43.42 43.12 2gqi n LEU 39 CO 0.24 -1.56 -0.74 -1.84 -1.51 0.00 0.00 177.39 171.98 2gqi n GLU 40 N -3.23 2.33 0.15 3.23 0.28 -1.26 -4.52 120.64 117.62 2gqi n GLU 40 Ca 0.08 0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.20 2gqi n GLU 40 Cb 0.32 -1.18 0.55 0.00 1.43 0.00 0.00 31.44 32.56 2gqi n GLU 40 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2gqi n ASP 41 N -2.36 0.57 0.00 -1.84 9.92 -1.26 -4.77 116.55 116.81 2gqi n ASP 41 Ca -0.12 0.73 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 2gqi n ASP 41 Cb 0.72 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 2gqi n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gqi n GLY 42 N -0.98 0.86 3.40 0.44 0.00 -1.26 -5.13 105.19 102.53 2gqi n GLY 42 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.90 0.85 -0.21 1.61 0.52 -1.26 -3.88 118.94 115.67 2gqi s TRP 43 Ca 0.00 -1.12 -0.05 0.00 0.02 0.00 0.00 56.10 54.95 2gqi s TRP 43 Cb 0.00 -0.20 0.11 0.00 -1.15 0.00 0.00 33.47 32.23 2gqi s TRP 43 CO 0.00 -0.87 0.41 -1.64 0.02 0.00 0.00 176.95 174.87 2gqi s MET 44 N -3.91 0.33 -0.72 4.98 -1.94 -0.96 -1.35 119.30 115.73 2gqi s MET 44 Ca 0.31 0.88 -0.26 0.00 -1.71 0.00 0.00 55.69 54.92 2gqi s MET 44 Cb 0.03 0.09 -0.08 0.00 2.01 0.00 0.00 34.83 36.87 2gqi s MET 44 CO 0.13 -0.38 2.22 -0.46 -0.01 0.00 0.00 175.02 176.52 2gqi s TRP 45 N 2.60 1.35 0.49 -0.03 -0.11 -0.73 -3.95 118.94 118.56 2gqi s TRP 45 Ca 0.03 1.40 0.07 0.00 1.22 0.00 0.00 56.10 58.82 2gqi s TRP 45 Cb -0.13 -3.71 0.01 0.00 -1.50 0.00 0.00 33.47 28.15 2gqi s TRP 45 CO -0.14 -1.95 0.41 0.14 -4.62 0.00 0.00 176.95 170.79 2gqi s VAL 46 N 12.26 2.09 -0.33 5.86 -7.23 -1.23 -1.29 120.40 130.53 2gqi s VAL 46 Ca 0.85 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2gqi s VAL 46 Cb -0.12 -2.51 0.11 0.00 0.56 0.00 0.00 36.38 34.42 2gqi s VAL 46 CO 0.12 0.00 0.13 -0.89 -0.31 0.00 0.00 175.10 174.15 2gqi s THR 47 N -2.65 0.87 0.20 5.32 2.01 -1.24 -2.73 115.64 117.43 2gqi s THR 47 Ca 0.42 -1.59 -0.29 0.00 0.31 0.00 0.00 61.69 60.53 2gqi s THR 47 Cb -0.02 -1.65 -0.16 0.00 0.01 0.00 0.00 72.50 70.67 2gqi s THR 47 CO 0.25 -0.74 0.73 -3.20 -0.69 0.00 0.00 174.62 170.97 2gqi n ASN 48 N 4.59 -0.33 0.07 3.53 2.85 -0.61 -3.66 115.26 121.69 2gqi n ASN 48 Ca 0.01 1.15 0.12 0.00 -0.11 0.00 0.00 54.58 55.74 2gqi n ASN 48 Cb 0.40 -1.05 0.22 0.00 1.24 0.00 0.00 39.78 40.59 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 1.77 0.71 -0.07 1.20 4.77 -0.70 -0.96 117.00 123.73 2gqi n LEU 49 Ca 0.16 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 56.23 2gqi n LEU 49 Cb 0.25 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 2gqi n LEU 49 CO 0.58 -0.07 -0.24 -0.09 -1.33 0.00 0.00 177.39 176.24 2gqi h ARG 50 N 0.00 0.06 0.00 3.23 1.12 -1.89 -3.38 114.38 113.52 2gqi h ARG 50 Ca 0.00 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 2gqi h ARG 50 Cb 0.73 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 2gqi h ARG 50 CO 0.00 1.05 -1.15 0.25 -3.11 0.00 0.00 179.97 177.01 2gqi n THR 51 N -4.36 0.33 -3.32 0.20 -2.24 -1.26 -4.97 114.28 98.66 2gqi n THR 51 Ca -0.24 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 60.90 2gqi n THR 51 Cb 0.68 -0.07 0.06 0.00 -2.10 0.00 0.00 70.33 68.90 2gqi n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2gqi n ASP 52 N -2.30 -6.17 -4.36 3.42 8.00 -0.13 -5.00 116.55 110.01 2gqi n ASP 52 Ca 0.00 -0.42 -0.19 0.00 0.71 0.00 0.00 54.79 54.89 2gqi n ASP 52 Cb 0.50 -4.87 -0.10 0.00 -0.02 0.00 0.00 41.12 36.63 2gqi n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2gqi s GLU 53 N -6.02 1.37 0.22 -1.24 0.41 -1.22 -4.92 118.70 107.29 2gqi s GLU 53 Ca 0.45 -1.61 0.05 0.00 -0.41 0.00 0.00 54.97 53.46 2gqi s GLU 53 Cb -0.20 -1.18 -0.03 0.00 -1.78 0.00 0.00 34.13 30.93 2gqi s GLU 53 CO 0.56 0.20 0.30 -0.65 -0.49 0.00 0.00 175.26 175.18 2gqi s GLN 54 N -3.63 3.30 0.00 1.61 -0.21 -1.26 -1.58 119.66 117.89 2gqi s GLN 54 Ca 0.23 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.81 2gqi s GLN 54 Cb -0.01 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.18 2gqi s GLN 54 CO 0.08 0.44 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 2gqi n GLY 55 N -1.17 0.81 3.12 3.09 0.00 -1.10 -4.76 105.19 105.18 2gqi n GLY 55 Ca -0.08 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 2.15 0.27 0.99 1.43 -1.26 -3.50 118.68 118.76 2gqi s LEU 56 Ca 0.00 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.53 2gqi s LEU 56 Cb 0.00 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 2gqi s LEU 56 CO 0.00 -0.00 -0.11 0.27 0.23 0.00 0.00 176.35 176.74 2gqi s ILE 57 N 1.29 1.93 -0.17 -0.59 -4.36 -1.25 -4.39 121.20 113.66 2gqi s ILE 57 Ca 0.05 -2.21 -0.07 0.00 -0.26 0.00 0.00 60.65 58.15 2gqi s ILE 57 Cb -0.13 -2.36 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 2gqi s ILE 57 CO -0.13 -0.37 0.08 0.54 0.24 0.00 0.00 174.94 175.30 2gqi s VAL 58 N -2.83 4.93 -0.40 8.37 0.11 -1.26 -2.27 120.40 127.04 2gqi s VAL 58 Ca 0.29 0.01 0.13 0.00 -2.93 0.00 0.00 61.98 59.48 2gqi s VAL 58 Cb 0.01 -3.21 0.13 0.00 -1.53 0.00 0.00 36.38 31.78 2gqi s VAL 58 CO 0.12 0.49 1.36 -1.84 -3.33 0.00 0.00 175.10 171.90 2gqi n GLU 59 N 3.23 0.08 0.17 1.54 0.28 -1.25 -0.41 120.64 124.29 2gqi n GLU 59 Ca -0.17 0.56 0.05 0.00 -0.16 0.00 0.00 57.16 57.44 2gqi n GLU 59 Cb 0.53 -1.84 0.21 0.00 1.43 0.00 0.00 31.44 31.76 2gqi n GLU 59 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2gqi h ASP 60 N 0.00 0.00 0.23 -1.84 3.58 -1.93 -3.27 116.42 113.20 2gqi h ASP 60 Ca 0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 2gqi h ASP 60 Cb 0.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2gqi h ASP 60 CO 0.00 0.40 -1.84 -0.07 -2.88 0.00 0.00 179.24 174.85 2gqi h LEU 61 N 0.00 0.42-10.45 2.28 3.38 -1.14 -3.48 115.31 106.33 2gqi h LEU 61 Ca -0.00 -0.78 -0.44 0.00 0.09 0.00 0.00 57.88 56.75 2gqi h LEU 61 Cb 1.10 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.75 2gqi h LEU 61 CO 0.05 1.69 -0.14 0.68 0.09 0.00 0.00 178.44 180.82 2gqi s VAL 62 N -2.58 3.10 0.40 1.22 -7.23 -1.14 -3.03 120.40 111.14 2gqi s VAL 62 Ca -0.17 -0.76 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 2gqi s VAL 62 Cb 0.06 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2gqi s VAL 62 CO 0.81 -0.07 0.13 -1.84 -0.31 0.00 0.00 175.10 173.82 2gqi n GLU 63 N -2.10 0.62 -4.14 4.82 -0.00 -0.12 -4.82 120.64 114.91 2gqi n GLU 63 Ca 0.06 -3.31 -0.35 0.00 -0.00 0.00 0.00 57.16 53.56 2gqi n GLU 63 Cb 0.59 1.71 -0.09 0.00 -0.00 0.00 0.00 31.44 33.64 2gqi n GLU 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2gqi s GLU 64 N -3.51 3.57 -0.25 3.44 -1.05 -1.26 -3.05 118.70 116.59 2gqi s GLU 64 Ca 0.18 -0.35 -0.02 0.00 -0.15 0.00 0.00 54.97 54.63 2gqi s GLU 64 Cb 0.01 -3.05 0.03 0.00 -0.44 0.00 0.00 34.13 30.67 2gqi s GLU 64 CO 0.13 0.47 -0.05 0.14 0.95 0.00 0.00 175.26 176.90 2gqi s VAL 65 N -0.21 2.94 -0.22 1.83 -7.23 -1.24 -4.96 120.40 111.31 2gqi s VAL 65 Ca 0.07 -1.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.95 2gqi s VAL 65 Cb -0.12 -2.51 0.12 0.00 0.56 0.00 0.00 36.38 34.43 2gqi s VAL 65 CO 0.02 0.18 0.97 -0.55 -0.31 0.00 0.00 175.10 175.40 2gqi s SER 66 N 1.33 -0.47 0.00 4.85 0.15 -1.26 -4.85 113.70 113.46 2gqi s SER 66 Ca 0.00 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2gqi s SER 66 Cb -0.17 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2gqi s SER 66 CO -0.04 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2gqi n GLY 67 N 1.68 3.28 0.00 9.45 0.00 -1.26 -4.83 105.19 113.51 2gqi n GLY 67 Ca -0.12 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.09 2gqi n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gqi n PRO 68 N -1.41 0.24 -1.70 1.61 -0.04 -1.26 -4.83 135.00 127.62 2gqi n PRO 68 Ca 0.00 0.13 -0.39 0.00 -0.04 0.00 0.00 63.50 63.19 2gqi n PRO 68 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2gqi n PRO 68 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gqi n SER 69 N -1.25 2.25 -3.85 3.54 7.64 -1.26 -5.01 113.62 115.68 2gqi n SER 69 Ca 0.08 1.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.87 2gqi n SER 69 Cb 0.11 -1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 61.77 2gqi n SER 69 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2gqi s SER 70 N -0.82 -0.22 0.00 6.43 0.15 -1.26 -5.07 113.70 112.90 2gqi s SER 70 Ca 0.68 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2gqi s SER 70 Cb -0.46 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2gqi s SER 70 CO 0.52 -1.20 0.00 0.61 1.20 0.00 0.00 173.24 174.38