#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 2.59 -0.11 1.61 0.01 -1.26 -5.09 113.70 111.45 2gqi s SER 2 Ca 0.00 -0.54 -0.33 0.00 1.31 0.00 0.00 55.95 56.39 2gqi s SER 2 Cb 0.00 -0.86 -0.10 0.00 0.21 0.00 0.00 66.02 65.27 2gqi s SER 2 CO 0.00 -0.17 1.98 -0.24 0.41 0.00 0.00 173.24 175.22 2gqi n SER 3 N 4.91 3.44 0.00 2.44 2.88 -1.26 -4.81 113.62 121.23 2gqi n SER 3 Ca -0.12 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2gqi n SER 3 Cb 0.48 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2gqi n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gqi n GLY 4 N 4.83 3.29 3.54 0.46 0.00 -1.26 -5.05 105.19 110.99 2gqi n GLY 4 Ca 0.25 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 1.82 6.84 0.07 1.61 0.15 -1.26 -4.98 113.70 117.95 2gqi s SER 5 Ca 0.00 -2.42 -0.13 0.00 0.70 0.00 0.00 55.95 54.10 2gqi s SER 5 Cb 0.00 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 2gqi s SER 5 CO 0.00 -1.11 0.45 -0.94 1.20 0.00 0.00 173.24 172.84 2gqi s SER 6 N 3.96 6.76 -0.28 5.45 1.04 -1.26 -4.71 113.70 124.65 2gqi s SER 6 Ca 0.49 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.85 2gqi s SER 6 Cb 0.01 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2gqi s SER 6 CO 0.03 0.21 0.02 0.61 0.98 0.00 0.00 173.24 175.08 2gqi n GLY 7 N 1.19 -4.31 3.94 7.32 0.00 -1.26 -5.04 105.19 107.03 2gqi n GLY 7 Ca -0.09 0.52 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.46 2.99 0.04 1.61 3.52 -1.22 -4.94 118.95 119.49 2gqi s ARG 8 Ca -0.02 -1.10 0.01 0.00 -0.13 0.00 0.00 55.73 54.48 2gqi s ARG 8 Cb 0.00 -2.70 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 2gqi s ARG 8 CO 0.74 0.09 -0.05 1.03 -0.81 0.00 0.00 175.30 176.29 2gqi s ARG 9 N -4.10 0.46 0.24 5.12 0.52 -1.26 0.45 118.95 120.38 2gqi s ARG 9 Ca 0.43 -0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.84 2gqi s ARG 9 Cb -0.08 -0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.28 2gqi s ARG 9 CO 0.29 -0.01 0.26 0.14 0.02 0.00 0.00 175.30 176.01 2gqi s VAL 10 N -1.73 0.00 -0.08 3.52 -7.23 -1.22 -3.14 120.40 110.51 2gqi s VAL 10 Ca -0.10 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2gqi s VAL 10 Cb -0.08 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.46 2gqi s VAL 10 CO -0.01 0.00 0.03 -0.60 -0.31 0.00 0.00 175.10 174.21 2gqi s ARG 11 N -3.97 0.35 -0.67 4.82 3.52 -1.03 -2.92 118.95 119.05 2gqi s ARG 11 Ca 0.34 0.13 -0.26 0.00 -0.13 0.00 0.00 55.73 55.81 2gqi s ARG 11 Cb 0.04 -1.01 -0.08 0.00 -1.56 0.00 0.00 34.95 32.34 2gqi s ARG 11 CO 0.13 -0.37 2.22 0.00 -0.81 0.00 0.00 175.30 176.47 2gqi s ALA 12 N 2.04 1.47 0.59 6.12 0.00 -1.05 -1.96 121.76 128.97 2gqi s ALA 12 Ca 0.04 -0.61 0.30 0.00 0.00 0.00 0.00 51.96 51.70 2gqi s ALA 12 Cb -0.13 -4.44 1.82 0.00 0.00 0.00 0.00 23.12 20.37 2gqi s ALA 12 CO -0.05 -4.84 2.23 -0.84 0.00 0.00 0.00 175.76 172.27 2gqi h ILE 13 N 7.46 0.49 -4.00 0.00 3.07 -1.88 0.23 117.51 122.88 2gqi h ILE 13 Ca -0.12 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.09 2gqi h ILE 13 Cb 1.13 0.97 -0.19 0.00 -0.27 0.00 0.00 36.82 38.46 2gqi h ILE 13 CO 1.14 0.00 -0.70 -0.76 -1.05 0.00 0.00 178.15 176.77 2gqi s LEU 14 N -7.59 2.35 0.68 0.16 1.43 -1.25 -4.73 118.68 109.73 2gqi s LEU 14 Ca -0.05 -0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 2gqi s LEU 14 Cb 0.15 0.02 0.01 0.00 0.03 0.00 0.00 46.19 46.40 2gqi s LEU 14 CO 0.54 -0.37 1.11 -2.16 0.23 0.00 0.00 176.35 175.69 2gqi s PRO 15 N -2.47 2.70 -0.09 1.29 0.04 -1.26 -4.53 135.00 130.68 2gqi s PRO 15 Ca -0.04 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 2gqi s PRO 15 Cb -0.03 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2gqi s PRO 15 CO -0.03 -1.32 0.23 -0.47 0.04 0.00 0.00 177.00 175.45 2gqi s TYR 16 N -2.45 -0.26 -0.65 0.56 5.04 -1.19 -5.00 117.35 113.41 2gqi s TYR 16 Ca 0.66 0.63 -0.10 0.00 -2.44 0.00 0.00 57.07 55.81 2gqi s TYR 16 Cb -0.20 0.09 0.17 0.00 0.35 0.00 0.00 41.96 42.37 2gqi s TYR 16 CO 0.44 -0.12 0.54 0.99 -1.34 0.00 0.00 175.55 176.06 2gqi s THR 17 N 0.13 4.72 0.27 4.34 2.01 -1.26 -3.47 115.64 122.38 2gqi s THR 17 Ca -0.00 -2.29 -0.20 0.00 0.31 0.00 0.00 61.69 59.51 2gqi s THR 17 Cb -0.02 -4.01 -0.13 0.00 0.01 0.00 0.00 72.50 68.35 2gqi s THR 17 CO 0.00 -0.90 0.21 2.29 -0.69 0.00 0.00 174.62 175.52 2gqi n LYS 18 N 4.26 0.00 -2.88 4.92 2.85 -1.26 -4.87 118.16 121.18 2gqi n LYS 18 Ca 0.03 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.89 2gqi n LYS 18 Cb 0.42 -0.83 -0.06 0.00 -0.65 0.00 0.00 35.03 33.91 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 -1.18 4.34 0.37 0.58 1.01 -1.26 -4.97 120.40 119.29 2gqi s VAL 19 Ca 0.51 1.86 -0.27 0.00 0.00 0.00 0.00 61.98 64.08 2gqi s VAL 19 Cb -0.62 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.45 2gqi s VAL 19 CO 0.50 0.47 1.20 -2.16 0.00 0.00 0.00 175.10 175.11 2gqi s PRO 20 N -0.88 4.19 -0.41 2.72 0.04 -1.26 -3.90 135.00 135.50 2gqi s PRO 20 Ca 0.39 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 2gqi s PRO 20 Cb -0.24 -2.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 2gqi s PRO 20 CO 0.28 -0.23 0.34 -3.47 0.04 0.00 0.00 177.00 173.96 2gqi n ASP 21 N 0.39 -2.48 -2.93 6.66 -0.08 -1.26 -5.05 116.55 111.80 2gqi n ASP 21 Ca 0.03 -0.23 -0.06 0.00 -1.51 0.00 0.00 54.79 53.02 2gqi n ASP 21 Cb 0.45 -2.13 0.02 0.00 2.34 0.00 0.00 41.12 41.80 2gqi n ASP 21 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2gqi n THR 22 N -2.10 0.00 -1.11 5.18 -2.24 -1.25 -5.03 114.28 107.73 2gqi n THR 22 Ca -0.08 -0.77 -0.09 0.00 -2.27 0.00 0.00 64.05 60.85 2gqi n THR 22 Cb 0.55 0.86 0.27 0.00 -2.10 0.00 0.00 70.33 69.92 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 -1.40 4.44 -4.87 3.42 8.00 -1.26 -4.97 116.55 119.90 2gqi n ASP 23 Ca -0.06 -3.33 -0.31 0.00 0.71 0.00 0.00 54.79 51.80 2gqi n ASP 23 Cb 0.56 -0.75 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 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 -3.07 3.81 0.11 -1.24 2.02 -1.26 -3.52 118.70 115.55 2gqi s GLU 24 Ca 0.54 0.35 0.10 0.00 0.02 0.00 0.00 54.97 55.99 2gqi s GLU 24 Cb 0.44 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 2gqi s GLU 24 CO 0.12 0.19 -0.26 0.96 0.02 0.00 0.00 175.26 176.28 2gqi s ILE 25 N -2.02 2.18 0.26 -1.63 -4.36 -1.26 -4.78 121.20 109.58 2gqi s ILE 25 Ca 0.49 -1.68 -0.08 0.00 -0.26 0.00 0.00 60.65 59.12 2gqi s ILE 25 Cb -0.11 -1.92 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 2gqi s ILE 25 CO 0.24 0.11 0.57 -0.94 0.24 0.00 0.00 174.94 175.16 2gqi s SER 26 N -1.92 6.55 0.23 4.36 1.04 -1.26 -4.46 113.70 118.24 2gqi s SER 26 Ca 0.13 0.86 -0.09 0.00 0.48 0.00 0.00 55.95 57.34 2gqi s SER 26 Cb -0.10 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 2gqi s SER 26 CO 0.05 -0.14 0.35 0.72 0.98 0.00 0.00 173.24 175.21 2gqi s PHE 27 N -1.95 0.65 0.35 5.02 -0.71 -1.23 -4.96 117.98 115.15 2gqi s PHE 27 Ca 0.46 -0.96 0.09 0.00 -1.04 0.00 0.00 56.93 55.48 2gqi s PHE 27 Cb -0.11 -0.08 -0.06 0.00 -1.21 0.00 0.00 43.02 41.56 2gqi s PHE 27 CO 0.25 -0.86 -0.03 -0.51 -1.34 0.00 0.00 175.22 172.73 2gqi s LEU 28 N -3.07 2.88 -0.09 -1.99 1.43 -1.26 -3.19 118.68 113.39 2gqi s LEU 28 Ca 0.28 -1.09 -0.32 0.00 -1.03 0.00 0.00 54.13 51.97 2gqi s LEU 28 Cb 0.02 -1.19 -0.10 0.00 0.03 0.00 0.00 46.19 44.96 2gqi s LEU 28 CO 0.10 -0.24 2.00 1.17 0.23 0.00 0.00 176.35 179.61 2gqi n LYS 29 N -0.89 2.28 0.00 1.70 4.81 -1.26 -1.29 118.16 123.50 2gqi n LYS 29 Ca -0.04 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2gqi n LYS 29 Cb 0.63 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.83 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 4.87 2.47 3.36 3.14 0.00 0.82 -5.00 105.19 114.85 2gqi n GLY 30 Ca 0.25 -0.38 -0.58 0.00 0.00 0.00 0.00 46.02 45.31 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 0.25 0.23 -4.95 1.61 9.92 -0.41 -4.41 116.55 118.79 2gqi n ASP 31 Ca 0.00 1.10 -0.23 0.00 -0.53 0.00 0.00 54.79 55.13 2gqi n ASP 31 Cb 0.00 -0.86 -0.01 0.00 -0.64 0.00 0.00 41.12 39.61 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 0.60 3.43 0.10 -1.24 -1.94 -1.26 -2.53 119.30 116.45 2gqi s MET 32 Ca 0.89 -0.43 -0.06 0.00 -1.71 0.00 0.00 55.69 54.38 2gqi s MET 32 Cb -1.25 -2.69 -0.02 0.00 2.01 0.00 0.00 34.83 32.89 2gqi s MET 32 CO 0.59 0.15 0.14 -0.06 -0.01 0.00 0.00 175.02 175.82 2gqi s PHE 33 N -2.29 0.38 -0.65 -0.03 0.40 -1.15 -1.92 117.98 112.73 2gqi s PHE 33 Ca 0.40 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 2gqi s PHE 33 Cb -0.10 -0.19 0.16 0.00 0.51 0.00 0.00 43.02 43.40 2gqi s PHE 33 CO 0.35 -0.53 0.44 0.42 0.70 0.00 0.00 175.22 176.60 2gqi s ILE 34 N -3.92 3.21 -0.48 0.64 1.01 -1.13 -3.44 121.20 117.08 2gqi s ILE 34 Ca 0.10 -3.57 -0.46 0.00 0.00 0.00 0.00 60.65 56.71 2gqi s ILE 34 Cb 0.06 -3.11 -0.20 0.00 0.01 0.00 0.00 42.46 39.22 2gqi s ILE 34 CO -0.07 -0.92 1.63 0.52 0.00 0.00 0.00 174.94 176.10 2gqi n VAL 35 N 2.78 0.03 -0.07 2.92 0.31 0.17 -3.75 118.33 120.72 2gqi n VAL 35 Ca 0.12 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 2gqi n VAL 35 Cb 0.35 -0.57 -0.05 0.00 -0.91 0.00 0.00 33.84 32.66 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 4.21 0.00 -4.27 3.52 8.25 0.13 -3.37 115.22 123.70 2gqi n HIS 36 Ca 0.31 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.43 2gqi n HIS 36 Cb -0.04 -0.48 -0.14 0.00 1.12 0.00 0.00 29.99 30.45 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 -5.97 4.32 -0.40 0.41 2.47 -1.01 -4.96 114.94 109.81 2gqi s ASN 37 Ca -0.18 -0.32 -0.17 0.00 0.42 0.00 0.00 52.86 52.62 2gqi s ASN 37 Cb 0.07 -1.71 0.01 0.00 -1.45 0.00 0.00 41.25 38.17 2gqi s ASN 37 CO 0.25 0.07 0.41 -1.61 -3.72 0.00 0.00 177.10 172.50 2gqi s GLU 38 N 0.91 3.22 0.19 0.43 2.02 -1.26 -1.55 118.70 122.66 2gqi s GLU 38 Ca -0.01 -0.68 0.09 0.00 0.02 0.00 0.00 54.97 54.39 2gqi s GLU 38 Cb -0.15 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 2gqi s GLU 38 CO 0.01 -0.75 -0.09 -0.51 0.02 0.00 0.00 175.26 173.94 2gqi s LEU 39 N 2.07 2.99 -0.01 1.80 1.02 -1.20 -5.03 118.68 120.33 2gqi s LEU 39 Ca 0.11 -0.58 0.18 0.00 0.02 0.00 0.00 54.13 53.86 2gqi s LEU 39 Cb -0.17 -1.66 -0.22 0.00 0.02 0.00 0.00 46.19 44.16 2gqi s LEU 39 CO 0.13 0.10 0.63 -0.62 0.02 0.00 0.00 176.35 176.61 2gqi n GLU 40 N -0.02 1.00 0.00 1.70 4.71 -1.26 -4.25 120.64 122.52 2gqi n GLU 40 Ca -0.10 -0.05 0.04 0.00 -0.01 0.00 0.00 57.16 57.04 2gqi n GLU 40 Cb 0.56 -1.36 0.22 0.00 -1.01 0.00 0.00 31.44 29.85 2gqi n GLU 40 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2gqi n ASP 41 N -1.64 0.00 0.00 1.62 8.00 -1.26 -4.76 116.55 118.51 2gqi n ASP 41 Ca 0.01 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2gqi n ASP 41 Cb 0.34 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2gqi n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gqi n GLY 42 N -0.55 0.86 3.68 0.44 0.00 -1.26 -5.13 105.19 103.23 2gqi n GLY 42 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.68 0.12 -0.24 1.61 0.52 -1.26 -4.43 118.94 113.58 2gqi s TRP 43 Ca 0.00 -0.51 -0.05 0.00 0.02 0.00 0.00 56.10 55.56 2gqi s TRP 43 Cb 0.00 0.40 0.12 0.00 -1.15 0.00 0.00 33.47 32.84 2gqi s TRP 43 CO 0.00 -1.07 0.47 -1.64 0.02 0.00 0.00 176.95 174.72 2gqi s MET 44 N -3.97 0.40 -1.00 4.98 -1.94 -0.87 -3.22 119.30 113.69 2gqi s MET 44 Ca 0.17 0.94 -0.24 0.00 -1.71 0.00 0.00 55.69 54.85 2gqi s MET 44 Cb -0.03 0.20 -0.09 0.00 2.01 0.00 0.00 34.83 36.92 2gqi s MET 44 CO 0.07 -0.41 2.03 -0.46 -0.01 0.00 0.00 175.02 176.24 2gqi s TRP 45 N 2.67 1.69 0.35 -0.03 -0.11 -0.59 -3.50 118.94 119.41 2gqi s TRP 45 Ca 0.05 0.98 0.07 0.00 1.22 0.00 0.00 56.10 58.42 2gqi s TRP 45 Cb -0.13 -3.86 -0.03 0.00 -1.50 0.00 0.00 33.47 27.95 2gqi s TRP 45 CO -0.16 -1.42 0.31 0.14 -4.62 0.00 0.00 176.95 171.20 2gqi s VAL 46 N 11.88 3.38 -0.20 5.86 -7.23 -1.12 0.21 120.40 133.18 2gqi s VAL 46 Ca 0.74 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2gqi s VAL 46 Cb -0.06 -3.15 0.04 0.00 0.56 0.00 0.00 36.38 33.77 2gqi s VAL 46 CO 0.07 -0.14 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.69 2gqi s THR 47 N -2.33 1.87 0.18 5.32 2.01 -1.25 -2.21 115.64 119.23 2gqi s THR 47 Ca 0.42 -1.08 -0.32 0.00 0.31 0.00 0.00 61.69 61.03 2gqi s THR 47 Cb -0.05 -1.85 -0.11 0.00 0.01 0.00 0.00 72.50 70.50 2gqi s THR 47 CO 0.27 0.27 1.69 0.21 -0.69 0.00 0.00 174.62 176.37 2gqi s ASN 48 N 1.31 6.45 0.16 3.53 3.84 -0.77 -2.85 114.94 126.61 2gqi s ASN 48 Ca -0.00 2.78 0.24 0.00 0.21 0.00 0.00 52.86 56.09 2gqi s ASN 48 Cb -0.16 -2.59 0.92 0.00 -0.55 0.00 0.00 41.25 38.87 2gqi s ASN 48 CO -0.09 -0.93 1.75 0.18 -2.79 0.00 0.00 177.10 175.21 2gqi n LEU 49 N 4.17 0.52 -0.03 3.21 4.77 -0.81 0.12 117.00 128.95 2gqi n LEU 49 Ca 0.15 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.50 2gqi n LEU 49 Cb 0.36 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 2gqi n LEU 49 CO 0.63 -0.27 -0.83 -1.14 -1.33 0.00 0.00 177.39 174.45 2gqi n ARG 50 N -2.02 0.71 0.03 3.23 0.00 -1.26 -4.39 116.66 112.96 2gqi n ARG 50 Ca 0.05 0.31 0.11 0.00 -0.00 0.00 0.00 57.85 58.32 2gqi n ARG 50 Cb 0.32 -1.69 -0.09 0.00 0.00 0.00 0.00 32.46 31.00 2gqi n ARG 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2gqi n THR 51 N -3.66 0.21 -2.54 5.15 -2.24 -1.22 -4.97 114.28 105.01 2gqi n THR 51 Ca -0.34 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 60.77 2gqi n THR 51 Cb 0.97 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.31 -5.99 -4.37 3.42 8.00 0.32 -4.98 116.55 110.64 2gqi n ASP 52 Ca -0.02 -0.08 -0.25 0.00 0.71 0.00 0.00 54.79 55.16 2gqi n ASP 52 Cb 0.53 -4.95 -0.12 0.00 -0.02 0.00 0.00 41.12 36.57 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 -5.19 1.37 0.20 -1.24 0.41 -1.23 -4.90 118.70 108.12 2gqi s GLU 53 Ca 0.07 -1.43 -0.06 0.00 -0.41 0.00 0.00 54.97 53.14 2gqi s GLU 53 Cb -0.03 -1.59 -0.06 0.00 -1.78 0.00 0.00 34.13 30.68 2gqi s GLU 53 CO 0.08 0.34 0.47 -0.65 -0.49 0.00 0.00 175.26 175.01 2gqi s GLN 54 N -2.62 3.67 0.02 1.61 -0.21 -1.26 -1.85 119.66 119.02 2gqi s GLN 54 Ca 0.17 0.02 -0.29 0.00 0.02 0.00 0.00 55.36 55.28 2gqi s GLN 54 Cb -0.07 -2.74 0.10 0.00 1.00 0.00 0.00 33.01 31.30 2gqi s GLN 54 CO 0.08 0.36 1.14 0.20 -2.12 0.00 0.00 175.29 174.95 2gqi s GLY 55 N -2.62 -0.34 -0.35 3.09 0.00 -0.94 -4.74 107.32 101.42 2gqi s GLY 55 Ca 0.43 0.64 -0.15 0.00 0.00 0.00 0.00 44.72 45.64 2gqi s GLY 55 CO 0.25 0.15 0.37 1.08 0.00 0.00 0.00 173.10 174.95 2gqi s LEU 56 N -2.84 4.48 0.26 0.66 1.43 -1.23 -2.81 118.68 118.62 2gqi s LEU 56 Ca 0.12 -0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2gqi s LEU 56 Cb 0.02 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 2gqi s LEU 56 CO -0.02 -0.36 -0.09 0.27 0.23 0.00 0.00 176.35 176.38 2gqi s ILE 57 N 2.03 3.06 -0.12 -0.59 -4.36 -1.23 -4.60 121.20 115.39 2gqi s ILE 57 Ca 0.12 -2.04 -0.10 0.00 -0.26 0.00 0.00 60.65 58.36 2gqi s ILE 57 Cb -0.17 -2.61 -0.05 0.00 1.25 0.00 0.00 42.46 40.89 2gqi s ILE 57 CO 0.12 -0.34 0.21 0.54 0.24 0.00 0.00 174.94 175.71 2gqi s VAL 58 N -2.28 5.37 0.43 8.37 0.11 -1.26 -2.04 120.40 129.10 2gqi s VAL 58 Ca 0.30 0.38 0.36 0.00 -2.93 0.00 0.00 61.98 60.08 2gqi s VAL 58 Cb -0.06 -3.51 0.38 0.00 -1.53 0.00 0.00 36.38 31.66 2gqi s VAL 58 CO 0.17 0.54 2.17 1.05 -3.33 0.00 0.00 175.10 175.70 2gqi h GLU 59 N 5.57 0.00 0.00 1.54 4.11 -1.89 -1.21 114.58 122.70 2gqi h GLU 59 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2gqi h GLU 59 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2gqi h GLU 59 CO 0.65 0.04 0.00 -3.47 0.07 0.00 0.00 179.01 176.30 2gqi n ASP 60 N -3.30 0.00 -0.04 3.06 -0.08 -1.26 -2.81 116.55 112.11 2gqi n ASP 60 Ca -0.02 -0.69 -0.05 0.00 -1.51 0.00 0.00 54.79 52.52 2gqi n ASP 60 Cb 0.19 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.59 2gqi n ASP 60 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2gqi n LEU 61 N -0.99 0.49 -4.87 -2.67 4.77 -0.46 -5.05 117.00 108.21 2gqi n LEU 61 Ca 0.16 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.89 2gqi n LEU 61 Cb 0.07 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2gqi n LEU 61 CO 0.12 0.28 0.01 0.68 -1.33 0.00 0.00 177.39 177.15 2gqi s VAL 62 N -2.20 2.09 0.26 4.08 -7.23 -1.12 -3.27 120.40 113.00 2gqi s VAL 62 Ca -0.06 -1.46 0.08 0.00 -1.81 0.00 0.00 61.98 58.73 2gqi s VAL 62 Cb 0.03 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 2gqi s VAL 62 CO 0.32 0.00 -0.10 -1.83 -0.31 0.00 0.00 175.10 173.18 2gqi s GLU 63 N -4.19 1.51 -0.05 4.82 4.04 -0.83 -4.85 118.70 119.16 2gqi s GLU 63 Ca 0.41 -1.73 -0.29 0.00 0.04 0.00 0.00 54.97 53.39 2gqi s GLU 63 Cb -0.02 -1.25 -0.02 0.00 0.02 0.00 0.00 34.13 32.86 2gqi s GLU 63 CO 0.24 0.12 0.96 -1.83 -1.84 0.00 0.00 175.26 172.92 2gqi s GLU 64 N -3.67 4.50 -0.43 -4.83 -1.05 -1.26 -2.46 118.70 109.49 2gqi s GLU 64 Ca 0.28 1.36 -0.16 0.00 -0.15 0.00 0.00 54.97 56.30 2gqi s GLU 64 Cb 0.01 -3.49 0.04 0.00 -0.44 0.00 0.00 34.13 30.25 2gqi s GLU 64 CO 0.11 -0.14 0.36 0.08 0.95 0.00 0.00 175.26 176.62 2gqi s VAL 65 N 1.37 5.21 0.20 1.83 1.01 -1.19 -4.94 120.40 123.90 2gqi s VAL 65 Ca 0.49 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 2gqi s VAL 65 Cb -0.20 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 2gqi s VAL 65 CO 0.23 -0.42 1.61 -0.55 0.00 0.00 0.00 175.10 175.98 2gqi s SER 66 N 1.98 6.50 0.26 3.32 0.15 -1.26 -4.79 113.70 119.86 2gqi s SER 66 Ca 0.06 2.75 -0.14 0.00 0.70 0.00 0.00 55.95 59.32 2gqi s SER 66 Cb -0.20 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.42 2gqi s SER 66 CO 0.10 -0.87 0.67 -0.83 1.20 0.00 0.00 173.24 173.50 2gqi s GLY 67 N 0.99 2.38 0.51 9.45 0.00 -1.26 -5.06 107.32 114.34 2gqi s GLY 67 Ca 0.70 -0.04 -0.21 0.00 0.00 0.00 0.00 44.72 45.17 2gqi s GLY 67 CO 0.35 0.19 1.14 2.56 0.00 0.00 0.00 173.10 177.34 2gqi s PRO 68 N -2.65 3.51 -0.20 2.90 0.04 -1.26 -5.04 135.00 132.29 2gqi s PRO 68 Ca 0.49 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2gqi s PRO 68 Cb -0.12 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2gqi s PRO 68 CO 0.19 -0.74 -0.08 0.45 0.04 0.00 0.00 177.00 176.86 2gqi s SER 69 N -1.62 3.35 -0.27 6.66 0.15 -1.26 -5.11 113.70 115.61 2gqi s SER 69 Ca 0.69 -0.89 -0.15 0.00 0.70 0.00 0.00 55.95 56.31 2gqi s SER 69 Cb -0.26 -1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 62.86 2gqi s SER 69 CO 0.30 -0.17 0.38 -0.55 1.20 0.00 0.00 173.24 174.39 2gqi s SER 70 N 1.45 6.26 0.00 5.45 0.15 -1.26 -5.36 113.70 120.38 2gqi s SER 70 Ca -0.02 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2gqi s SER 70 Cb -0.16 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2gqi s SER 70 CO -0.08 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.79