#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gq4 n LEU 11 N 0.00 2.17 -4.75 -0.89 4.77 -1.26 -4.98 117.00 112.05 1gq4 n LEU 11 Ca 0.00 1.10 -0.33 0.00 -0.03 0.00 0.00 56.01 56.76 1gq4 n LEU 11 Cb 0.00 -1.32 0.07 0.00 -2.33 0.00 0.00 43.42 39.84 1gq4 n LEU 11 CO 0.00 -1.45 0.74 -2.84 -1.33 0.00 0.00 177.39 172.51 1gq4 s PRO 12 N -1.78 2.47 0.31 3.23 0.02 -1.26 -4.93 135.00 133.06 1gq4 s PRO 12 Ca 0.60 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.77 1gq4 s PRO 12 Cb -0.62 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 31.89 1gq4 s PRO 12 CO 0.59 -1.52 1.40 0.50 -0.33 0.00 0.00 177.00 177.64 1gq4 s ARG 13 N -4.23 4.26 -0.22 5.54 3.52 -1.18 -4.88 118.95 121.76 1gq4 s ARG 13 Ca 0.67 2.34 0.01 0.00 -0.13 0.00 0.00 55.73 58.62 1gq4 s ARG 13 Cb -0.22 -3.06 0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1gq4 s ARG 13 CO 0.46 -0.36 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.28 1gq4 s LEU 14 N -1.31 2.82 -0.30 -0.88 2.96 -1.26 -1.55 118.68 119.17 1gq4 s LEU 14 Ca 0.54 -0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 1gq4 s LEU 14 Cb -0.42 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1gq4 s LEU 14 CO 0.52 -0.09 0.16 0.00 -1.32 0.00 0.00 176.35 175.62 1gq4 s LEU 17 N 1.60 2.66 -0.08 0.00 1.02 0.27 -4.81 118.68 119.33 1gq4 s LEU 17 Ca 0.04 -0.25 -0.08 0.00 0.02 0.00 0.00 54.13 53.86 1gq4 s LEU 17 Cb -0.18 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 1gq4 s LEU 17 CO 0.07 0.31 0.19 -1.61 0.02 0.00 0.00 176.35 175.33 1gq4 s GLU 18 N -0.52 3.52 0.23 1.70 0.41 -1.26 -0.97 118.70 121.82 1gq4 s GLU 18 Ca 0.07 -0.06 -0.30 0.00 -0.41 0.00 0.00 54.97 54.28 1gq4 s GLU 18 Cb -0.12 -3.18 -0.09 0.00 -1.78 0.00 0.00 34.13 28.97 1gq4 s GLU 18 CO 0.01 0.75 1.22 0.21 -0.49 0.00 0.00 175.26 176.96 1gq4 s LYS 19 N -1.16 4.48 0.02 1.61 2.20 -0.44 -4.75 119.74 121.70 1gq4 s LYS 19 Ca 0.18 1.96 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1gq4 s LYS 19 Cb -0.13 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1gq4 s LYS 19 CO 0.07 -0.07 0.02 0.41 -0.36 0.00 0.00 175.35 175.42 1gq4 n GLY 20 N 1.77 2.55 0.21 5.54 0.00 -0.53 -4.96 105.19 109.78 1gq4 n GLY 20 Ca 0.03 -2.16 0.04 0.00 0.00 0.00 0.00 46.02 43.93 1gq4 n GLY 20 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1gq4 h PRO 21 N 0.00 0.00 -0.38 1.61 0.11 -2.02 -2.37 132.00 128.96 1gq4 h PRO 21 Ca -0.01 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1gq4 h PRO 21 Cb 0.04 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.07 1gq4 h PRO 21 CO 0.01 0.27 0.02 -1.71 -0.21 0.00 0.00 178.00 176.39 1gq4 n ASN 22 N -4.18 3.25 0.00 -2.05 4.05 -1.26 -5.08 115.26 109.99 1gq4 n ASN 22 Ca -0.02 -3.43 0.00 0.00 0.45 0.00 0.00 54.58 51.58 1gq4 n ASN 22 Cb 0.32 -0.62 0.00 0.00 1.23 0.00 0.00 39.78 40.71 1gq4 n ASN 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1gq4 n GLY 23 N -0.84 0.11 0.09 8.20 0.00 -0.89 -4.35 105.19 107.51 1gq4 n GLY 23 Ca 0.31 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1gq4 n GLY 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1gq4 h TYR 24 N 0.00 0.13 -0.26 1.61 0.05 -1.89 -1.39 116.97 115.21 1gq4 h TYR 24 Ca 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1gq4 h TYR 24 Cb 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1gq4 h TYR 24 CO 0.00 1.18 0.00 0.41 -1.05 0.00 0.00 178.16 178.70 1gq4 n GLY 25 N 1.64 1.03 3.32 3.88 0.00 -1.26 -1.48 105.19 112.31 1gq4 n GLY 25 Ca -0.19 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1gq4 n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gq4 s PHE 26 N -2.26 -0.06 0.13 1.61 -0.71 -1.26 -0.61 117.98 114.82 1gq4 s PHE 26 Ca 0.00 -0.29 0.05 0.00 -1.04 0.00 0.00 56.93 55.65 1gq4 s PHE 26 Cb 0.00 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 1gq4 s PHE 26 CO 0.00 -0.70 0.07 -1.01 -1.34 0.00 0.00 175.22 172.24 1gq4 s HIS 27 N -3.84 3.06 -0.05 3.49 3.76 -0.02 -4.99 115.29 116.70 1gq4 s HIS 27 Ca 0.05 -0.02 0.05 0.00 -0.15 0.00 0.00 55.06 54.99 1gq4 s HIS 27 Cb 0.02 -1.51 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 1gq4 s HIS 27 CO -0.10 0.51 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.94 1gq4 s LEU 28 N -2.77 1.97 0.05 0.89 2.96 -1.26 -1.00 118.68 119.51 1gq4 s LEU 28 Ca 0.29 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 1gq4 s LEU 28 Cb -0.11 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.49 1gq4 s LEU 28 CO 0.21 0.18 0.26 -1.38 -1.32 0.00 0.00 176.35 174.30 1gq4 s HIS 29 N -0.02 -0.03 0.68 5.38 -3.43 -0.55 -4.93 115.29 112.39 1gq4 s HIS 29 Ca -0.04 -0.17 -0.02 0.00 -0.80 0.00 0.00 55.06 54.04 1gq4 s HIS 29 Cb -0.12 0.04 0.09 0.00 -1.43 0.00 0.00 32.58 31.16 1gq4 s HIS 29 CO 0.03 -0.49 0.95 0.20 -2.00 0.00 0.00 174.74 173.43 1gq4 s GLY 30 N -2.17 1.77 -0.05 -1.38 0.00 -1.26 -0.65 107.32 103.58 1gq4 s GLY 30 Ca -0.04 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.21 1gq4 s GLY 30 CO -0.04 -0.99 0.09 -0.54 0.00 0.00 0.00 173.10 171.62 1gq4 s GLU 31 N -5.09 -0.03 0.43 2.90 2.02 -1.26 -4.94 118.70 112.73 1gq4 s GLU 31 Ca 0.63 0.40 -0.26 0.00 0.02 0.00 0.00 54.97 55.76 1gq4 s GLU 31 Cb -0.08 -0.39 -0.09 0.00 0.10 0.00 0.00 34.13 33.68 1gq4 s GLU 31 CO 0.43 -0.29 1.38 0.15 0.02 0.00 0.00 175.26 176.95 1gq4 s LYS 32 N 1.98 3.83 0.00 1.61 1.02 -1.26 -2.08 119.74 124.84 1gq4 s LYS 32 Ca 0.02 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.32 1gq4 s LYS 32 Cb -0.12 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1gq4 s LYS 32 CO -0.04 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 1gq4 n GLY 33 N 0.61 0.86 3.30 -3.33 0.00 -1.26 -5.00 105.19 100.36 1gq4 n GLY 33 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1gq4 n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gq4 s LYS 34 N -0.28 0.93 0.32 1.61 -2.85 -0.88 -5.15 119.74 113.44 1gq4 s LYS 34 Ca 0.00 -0.52 -0.05 0.00 -1.00 0.00 0.00 55.97 54.39 1gq4 s LYS 34 Cb 0.00 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 1gq4 s LYS 34 CO 0.00 -0.33 0.60 -0.51 0.10 0.00 0.00 175.35 175.21 1gq4 s LEU 35 N -2.29 3.99 0.00 2.77 1.43 -1.26 -4.45 118.68 118.87 1gq4 s LEU 35 Ca -0.02 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1gq4 s LEU 35 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1gq4 s LEU 35 CO -0.06 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1gq4 n GLY 36 N -1.14 1.87 3.25 -3.19 0.00 -1.25 -4.91 105.19 99.81 1gq4 n GLY 36 Ca -0.01 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 1gq4 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gq4 s GLN 37 N -2.07 1.64 0.08 1.61 -1.52 -1.26 -4.26 119.66 113.88 1gq4 s GLN 37 Ca 0.00 -0.86 0.05 0.00 -1.95 0.00 0.00 55.36 52.60 1gq4 s GLN 37 Cb 0.00 -1.66 -0.03 0.00 -0.22 0.00 0.00 33.01 31.10 1gq4 s GLN 37 CO 0.00 0.44 -0.15 0.71 -0.25 0.00 0.00 175.29 176.05 1gq4 s TYR 38 N -0.63 1.29 0.30 0.91 1.51 0.17 -1.11 117.35 119.79 1gq4 s TYR 38 Ca 0.08 -0.48 -0.23 0.00 -1.01 0.00 0.00 57.07 55.43 1gq4 s TYR 38 Cb -0.09 -0.71 -0.09 0.00 -0.11 0.00 0.00 41.96 40.96 1gq4 s TYR 38 CO 0.00 0.08 0.86 0.42 -1.11 0.00 0.00 175.55 175.80 1gq4 s ILE 39 N -1.47 4.37 -0.00 2.71 -1.09 0.27 -1.48 121.20 124.51 1gq4 s ILE 39 Ca 0.01 1.57 -0.16 0.00 -2.23 0.00 0.00 60.65 59.83 1gq4 s ILE 39 Cb -0.09 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 36.92 1gq4 s ILE 39 CO 0.02 0.11 0.35 -0.60 -1.23 0.00 0.00 174.94 173.60 1gq4 s ARG 40 N -2.17 0.75 -0.85 2.79 3.52 -0.17 -0.65 118.95 122.17 1gq4 s ARG 40 Ca 0.49 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.83 1gq4 s ARG 40 Cb -0.17 0.34 -0.00 0.00 -1.56 0.00 0.00 34.95 33.56 1gq4 s ARG 40 CO 0.22 -0.22 0.67 1.28 -0.81 0.00 0.00 175.30 176.43 1gq4 n LEU 41 N 1.04 -3.69 -4.64 -0.88 4.77 -1.26 -0.84 117.00 111.50 1gq4 n LEU 41 Ca -0.21 -0.67 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 1gq4 n LEU 41 Cb 0.57 -2.33 -0.04 0.00 -2.33 0.00 0.00 43.42 39.30 1gq4 n LEU 41 CO 0.22 -0.11 0.74 -0.69 -1.33 0.00 0.00 177.39 176.21 1gq4 s VAL 42 N -3.08 4.74 0.13 4.08 1.01 -1.26 -3.78 120.40 122.24 1gq4 s VAL 42 Ca 0.09 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1gq4 s VAL 42 Cb -0.03 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 1gq4 s VAL 42 CO 0.84 -0.20 1.21 -0.70 0.00 0.00 0.00 175.10 176.25 1gq4 s GLU 43 N 3.07 4.46 0.27 2.72 2.12 0.21 -4.93 118.70 126.62 1gq4 s GLU 43 Ca 0.38 1.84 -0.30 0.00 0.36 0.00 0.00 54.97 57.24 1gq4 s GLU 43 Cb -0.14 -3.29 -0.13 0.00 0.26 0.00 0.00 34.13 30.83 1gq4 s GLU 43 CO 0.10 -0.18 1.39 -2.30 -0.54 0.00 0.00 175.26 173.73 1gq4 n PRO 44 N 3.21 2.10 -0.99 4.30 -0.02 -1.26 -2.15 135.00 140.19 1gq4 n PRO 44 Ca 0.07 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1gq4 n PRO 44 Cb 0.45 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1gq4 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gq4 n GLY 45 N 1.81 0.71 3.93 -1.23 0.00 -1.26 -5.02 105.19 104.14 1gq4 n GLY 45 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1gq4 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gq4 s SER 46 N -2.45 5.88 0.42 1.61 1.04 -0.91 -4.90 113.70 114.39 1gq4 s SER 46 Ca 0.00 0.52 0.13 0.00 0.48 0.00 0.00 55.95 57.08 1gq4 s SER 46 Cb 0.00 -1.74 0.99 0.00 0.10 0.00 0.00 66.02 65.38 1gq4 s SER 46 CO 0.00 -0.74 1.95 -0.65 0.98 0.00 0.00 173.24 174.78 1gq4 h PRO 47 N 0.25 0.45 0.13 4.02 0.11 -1.84 -0.56 132.00 134.55 1gq4 h PRO 47 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1gq4 h PRO 47 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1gq4 h PRO 47 CO 0.59 0.30 -0.07 0.00 -0.21 0.00 0.00 178.00 178.61 1gq4 h ALA 48 N 1.66 -0.18 -0.33 -0.75 0.00 -1.56 -0.09 119.26 118.01 1gq4 h ALA 48 Ca 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1gq4 h ALA 48 Cb 0.63 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1gq4 h ALA 48 CO -0.10 -0.60 0.18 1.49 0.00 0.00 0.00 179.25 180.22 1gq4 h GLU 49 N -0.19 0.46 -0.29 0.00 4.81 -1.52 -2.34 114.58 115.52 1gq4 h GLU 49 Ca -0.01 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1gq4 h GLU 49 Cb 0.15 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1gq4 h GLU 49 CO 0.02 0.38 0.19 0.87 -0.73 0.00 0.00 179.01 179.75 1gq4 h LYS 50 N 0.42 0.34 -0.00 1.92 1.57 -0.87 -1.61 116.57 118.34 1gq4 h LYS 50 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1gq4 h LYS 50 Cb 0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1gq4 h LYS 50 CO -0.02 0.23 -0.07 0.00 -0.57 0.00 0.00 179.45 179.01 1gq4 n ALA 51 N -2.50 2.69 -0.52 3.86 0.00 -0.07 -4.93 120.51 119.04 1gq4 n ALA 51 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1gq4 n ALA 51 Cb 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1gq4 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gq4 n GLY 52 N 1.25 0.70 3.77 0.00 0.00 -0.60 -4.63 105.19 105.67 1gq4 n GLY 52 Ca 0.15 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1gq4 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gq4 s LEU 53 N 0.00 4.38 -0.01 0.99 1.43 -0.91 -5.03 118.68 119.53 1gq4 s LEU 53 Ca 0.00 2.46 0.04 0.00 -1.03 0.00 0.00 54.13 55.60 1gq4 s LEU 53 Cb 0.00 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1gq4 s LEU 53 CO 0.00 -0.48 -0.12 -0.76 0.23 0.00 0.00 176.35 175.22 1gq4 s LEU 54 N -1.93 1.99 0.25 1.79 1.43 -1.26 -4.66 118.68 116.29 1gq4 s LEU 54 Ca 0.50 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 53.07 1gq4 s LEU 54 Cb -0.35 -0.63 -0.13 0.00 0.03 0.00 0.00 46.19 45.11 1gq4 s LEU 54 CO 0.45 0.14 1.44 0.00 0.23 0.00 0.00 176.35 178.61 1gq4 n ALA 55 N 2.85 1.35 0.00 4.21 0.00 -1.26 -1.80 120.51 125.86 1gq4 n ALA 55 Ca -0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1gq4 n ALA 55 Cb 0.56 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1gq4 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gq4 n GLY 56 N 2.17 3.44 3.71 0.00 0.00 0.18 -4.96 105.19 109.73 1gq4 n GLY 56 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1gq4 n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gq4 n ASP 57 N 0.00 2.74 -4.80 1.61 8.00 -0.75 -4.53 116.55 118.82 1gq4 n ASP 57 Ca 0.00 1.14 -0.37 0.00 0.71 0.00 0.00 54.79 56.26 1gq4 n ASP 57 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 41.12 39.52 1gq4 n ASP 57 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1gq4 s ARG 58 N -2.16 3.94 -0.23 -1.24 3.52 0.25 -0.57 118.95 122.47 1gq4 s ARG 58 Ca 0.59 0.18 -0.20 0.00 -0.13 0.00 0.00 55.73 56.18 1gq4 s ARG 58 Cb -0.51 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.56 1gq4 s ARG 58 CO 0.59 0.54 0.62 -1.17 -0.81 0.00 0.00 175.30 175.06 1gq4 s LEU 59 N -0.48 4.09 -0.24 -0.88 2.96 -0.27 -1.77 118.68 122.10 1gq4 s LEU 59 Ca 0.19 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.85 1gq4 s LEU 59 Cb -0.14 -2.85 -0.16 0.00 0.50 0.00 0.00 46.19 43.54 1gq4 s LEU 59 CO 0.08 -0.32 -0.22 0.52 -1.32 0.00 0.00 176.35 175.09 1gq4 n VAL 60 N 4.98 1.40 -3.90 1.68 0.31 -0.01 -4.35 118.33 118.44 1gq4 n VAL 60 Ca -0.01 -0.52 -0.11 0.00 -0.01 0.00 0.00 64.34 63.69 1gq4 n VAL 60 Cb 0.49 -1.39 -0.11 0.00 -0.91 0.00 0.00 33.84 31.92 1gq4 n VAL 60 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1gq4 s GLU 61 N -2.49 0.34 -0.17 5.55 2.02 -1.09 -1.00 118.70 121.87 1gq4 s GLU 61 Ca -0.33 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.31 1gq4 s GLU 61 Cb 0.09 0.14 0.03 0.00 0.10 0.00 0.00 34.13 34.48 1gq4 s GLU 61 CO 0.56 -0.07 -0.14 0.08 0.02 0.00 0.00 175.26 175.71 1gq4 s VAL 62 N -1.09 1.68 -1.43 2.63 1.01 -0.64 -1.44 120.40 121.13 1gq4 s VAL 62 Ca -0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1gq4 s VAL 62 Cb -0.07 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.72 1gq4 s VAL 62 CO 0.00 0.38 0.61 0.59 0.00 0.00 0.00 175.10 176.68 1gq4 n ASN 63 N 4.72 -1.46 0.00 3.32 3.02 -0.17 -1.56 115.26 123.13 1gq4 n ASN 63 Ca -0.17 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1gq4 n ASN 63 Cb 0.49 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 1gq4 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gq4 n GLY 64 N -1.77 0.53 3.25 7.41 0.00 -1.26 -5.02 105.19 108.34 1gq4 n GLY 64 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1gq4 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gq4 s GLU 65 N -0.08 2.59 -0.09 1.61 0.41 -0.60 -5.08 118.70 117.45 1gq4 s GLU 65 Ca 0.00 -0.89 -0.29 0.00 -0.41 0.00 0.00 54.97 53.38 1gq4 s GLU 65 Cb 0.00 -2.15 -0.05 0.00 -1.78 0.00 0.00 34.13 30.15 1gq4 s GLU 65 CO 0.00 0.35 1.65 1.21 -0.49 0.00 0.00 175.26 177.98 1gq4 s ASN 66 N -0.08 6.60 -0.09 -0.19 3.84 -1.26 -1.62 114.94 122.14 1gq4 s ASN 66 Ca -0.06 2.12 0.13 0.00 0.21 0.00 0.00 52.86 55.26 1gq4 s ASN 66 Cb -0.14 -2.53 0.20 0.00 -0.55 0.00 0.00 41.25 38.22 1gq4 s ASN 66 CO 0.04 -1.00 1.10 1.33 -2.79 0.00 0.00 177.10 175.79 1gq4 n VAL 67 N 5.68 1.60 -0.30 -5.21 0.24 -0.17 -4.83 118.33 115.33 1gq4 n VAL 67 Ca 0.18 -1.86 0.14 0.00 -2.04 0.00 0.00 64.34 60.75 1gq4 n VAL 67 Cb 0.43 -0.01 0.31 0.00 -1.47 0.00 0.00 33.84 33.11 1gq4 n VAL 67 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1gq4 h GLU 68 N 0.00 0.31 0.00 7.34 4.57 -1.74 -2.54 114.58 122.52 1gq4 h GLU 68 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1gq4 h GLU 68 Cb 0.85 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1gq4 h GLU 68 CO 0.00 0.21 -0.26 1.63 -1.18 0.00 0.00 179.01 179.41 1gq4 n LYS 69 N -5.11 0.78 -1.70 1.92 5.02 -1.26 -3.97 118.16 113.84 1gq4 n LYS 69 Ca 0.22 -2.04 -0.30 0.00 -2.02 0.00 0.00 58.31 54.17 1gq4 n LYS 69 Cb 0.69 -1.08 0.05 0.00 -0.02 0.00 0.00 35.03 34.67 1gq4 n LYS 69 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gq4 s GLU 70 N -1.74 2.78 0.75 1.97 2.02 -0.96 -4.86 118.70 118.65 1gq4 s GLU 70 Ca 0.21 0.69 -0.11 0.00 0.02 0.00 0.00 54.97 55.78 1gq4 s GLU 70 Cb 0.19 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.47 1gq4 s GLU 70 CO 0.00 -1.14 1.09 0.95 0.02 0.00 0.00 175.26 176.18 1gq4 s THR 71 N -3.18 3.38 0.21 3.63 -4.23 -1.26 -4.78 115.64 109.40 1gq4 s THR 71 Ca 0.58 0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 61.47 1gq4 s THR 71 Cb -0.13 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 70.90 1gq4 s THR 71 CO 0.54 -0.55 1.69 -0.74 -0.54 0.00 0.00 174.62 175.02 1gq4 h HIS 72 N -0.90 0.14 -0.55 3.99 -0.00 -1.95 -1.26 115.15 114.62 1gq4 h HIS 72 Ca -0.44 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 59.92 1gq4 h HIS 72 Cb 1.23 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.65 1gq4 h HIS 72 CO 0.58 -0.07 0.16 1.96 -0.00 0.00 0.00 177.93 180.56 1gq4 h GLN 73 N 0.22 0.86 -0.68 5.26 4.20 -1.99 -1.80 115.11 121.18 1gq4 h GLN 73 Ca 0.32 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1gq4 h GLN 73 Cb 0.49 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1gq4 h GLN 73 CO -0.44 0.79 0.37 1.96 -0.67 0.00 0.00 178.83 180.84 1gq4 h GLN 74 N 0.77 0.95 -0.27 1.46 4.20 -1.79 -1.04 115.11 119.40 1gq4 h GLN 74 Ca 0.18 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 1gq4 h GLN 74 Cb 0.30 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1gq4 h GLN 74 CO -0.00 0.72 -0.26 0.28 -0.67 0.00 0.00 178.83 178.90 1gq4 h VAL 75 N 0.94 1.31 -0.72 -0.54 2.07 -1.00 -1.78 116.25 116.53 1gq4 h VAL 75 Ca 0.24 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1gq4 h VAL 75 Cb 0.05 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1gq4 h VAL 75 CO -0.04 0.45 0.44 0.58 0.02 0.00 0.00 177.57 179.02 1gq4 h VAL 76 N 0.37 1.20 -0.90 2.57 2.07 -1.23 -1.41 116.25 118.92 1gq4 h VAL 76 Ca 0.04 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1gq4 h VAL 76 Cb 0.82 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1gq4 h VAL 76 CO 0.06 0.21 0.49 0.28 0.02 0.00 0.00 177.57 178.64 1gq4 h SER 77 N 0.98 1.12 -0.07 0.57 0.02 -1.07 -1.27 113.55 113.83 1gq4 h SER 77 Ca 0.26 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1gq4 h SER 77 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 1gq4 h SER 77 CO -0.05 0.90 -0.19 0.03 -1.14 0.00 0.00 176.83 176.38 1gq4 h ARG 78 N 1.25 0.46 -0.13 3.45 3.08 -0.73 0.49 114.38 122.25 1gq4 h ARG 78 Ca 0.32 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1gq4 h ARG 78 Cb 0.02 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1gq4 h ARG 78 CO -0.05 0.63 -0.30 0.82 -1.07 0.00 0.00 179.97 180.00 1gq4 h ILE 79 N 0.42 1.37 -0.17 2.04 2.04 -1.00 -3.19 117.51 119.02 1gq4 h ILE 79 Ca 0.07 -1.59 -0.14 0.00 1.00 0.00 0.00 64.86 64.20 1gq4 h ILE 79 Cb 0.57 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1gq4 h ILE 79 CO 0.04 0.47 -0.49 0.03 0.00 0.00 0.00 178.15 178.20 1gq4 h ARG 80 N 0.03 0.45 0.00 2.37 3.08 -1.14 -3.46 114.38 115.71 1gq4 h ARG 80 Ca -0.00 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1gq4 h ARG 80 Cb 0.91 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1gq4 h ARG 80 CO 0.07 0.84 0.00 0.00 -1.07 0.00 0.00 179.97 179.81 1gq4 n ALA 81 N -2.50 0.00 -1.97 0.04 0.00 0.17 -3.71 120.51 112.54 1gq4 n ALA 81 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1gq4 n ALA 81 Cb 0.55 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.11 1gq4 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gq4 n ALA 82 N 1.75 2.87 -2.66 0.00 0.00 -1.26 -5.02 120.51 116.19 1gq4 n ALA 82 Ca 0.00 -2.67 -0.22 0.00 0.00 0.00 0.00 53.44 50.55 1gq4 n ALA 82 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1gq4 n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gq4 s LEU 83 N -1.58 3.45 -0.19 0.00 1.43 -1.24 -5.06 118.68 115.48 1gq4 s LEU 83 Ca 0.33 -0.53 0.16 0.00 -1.03 0.00 0.00 54.13 53.06 1gq4 s LEU 83 Cb 0.34 -1.97 0.50 0.00 0.03 0.00 0.00 46.19 45.09 1gq4 s LEU 83 CO -0.10 -0.11 1.40 -3.20 0.23 0.00 0.00 176.35 174.58 1gq4 n ASN 84 N -1.09 3.51 -3.68 2.29 5.15 -1.26 -4.95 115.26 115.24 1gq4 n ASN 84 Ca -0.06 -3.15 -0.14 0.00 -0.60 0.00 0.00 54.58 50.63 1gq4 n ASN 84 Cb 0.59 -0.55 -0.07 0.00 -0.53 0.00 0.00 39.78 39.22 1gq4 n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gq4 s ALA 85 N -2.90 -1.08 -0.05 5.20 0.00 -1.26 -1.33 121.76 120.34 1gq4 s ALA 85 Ca 0.42 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1gq4 s ALA 85 Cb 0.35 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1gq4 s ALA 85 CO 0.07 -0.33 0.27 0.54 0.00 0.00 0.00 175.76 176.31 1gq4 s VAL 86 N -1.55 0.04 -0.24 0.00 0.11 -0.14 -4.97 120.40 113.64 1gq4 s VAL 86 Ca -0.11 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 1gq4 s VAL 86 Cb -0.03 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1gq4 s VAL 86 CO 0.04 -0.18 -0.04 -0.13 -3.33 0.00 0.00 175.10 171.45 1gq4 s ARG 87 N -0.77 3.05 -0.23 1.54 0.52 -1.26 -0.57 118.95 121.23 1gq4 s ARG 87 Ca -0.09 -0.84 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 1gq4 s ARG 87 Cb -0.04 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1gq4 s ARG 87 CO 0.02 -0.33 -0.02 -0.51 0.02 0.00 0.00 175.30 174.49 1gq4 s LEU 88 N 1.40 3.08 -0.27 2.53 1.43 0.73 -1.00 118.68 126.57 1gq4 s LEU 88 Ca 0.03 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1gq4 s LEU 88 Cb -0.16 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1gq4 s LEU 88 CO -0.04 -0.04 0.36 -0.22 0.23 0.00 0.00 176.35 176.64 1gq4 s LEU 89 N 1.49 4.04 0.16 1.79 2.96 -0.52 -0.53 118.68 128.07 1gq4 s LEU 89 Ca 0.05 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1gq4 s LEU 89 Cb -0.15 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1gq4 s LEU 89 CO -0.02 -0.17 -0.13 0.68 -1.32 0.00 0.00 176.35 175.39 1gq4 s VAL 90 N 2.03 1.41 0.07 1.68 -7.23 -0.60 -0.83 120.40 116.95 1gq4 s VAL 90 Ca 0.15 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1gq4 s VAL 90 Cb -0.16 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1gq4 s VAL 90 CO 0.10 -0.59 -0.05 0.68 -0.31 0.00 0.00 175.10 174.93 1gq4 s VAL 91 N -2.81 0.49 -0.36 1.32 -7.23 -0.73 -3.11 120.40 107.98 1gq4 s VAL 91 Ca 0.16 -1.76 -0.22 0.00 -1.81 0.00 0.00 61.98 58.35 1gq4 s VAL 91 Cb -0.01 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.48 1gq4 s VAL 91 CO 0.03 -0.85 0.73 -0.62 -0.31 0.00 0.00 175.10 174.09 1gq4 s ASP 92 N -2.78 6.52 0.62 4.85 -1.08 -1.26 -0.58 116.67 122.95 1gq4 s ASP 92 Ca 0.07 0.31 0.41 0.00 -0.52 0.00 0.00 52.55 52.81 1gq4 s ASP 92 Cb 0.04 -2.37 2.08 0.00 -1.46 0.00 0.00 42.92 41.21 1gq4 s ASP 92 CO -0.06 -0.68 2.24 -0.65 0.52 0.00 0.00 175.17 176.54 1gq4 h PRO 93 N 8.45 0.00 0.00 4.34 0.11 -1.80 0.38 132.00 143.48 1gq4 h PRO 93 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1gq4 h PRO 93 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1gq4 h PRO 93 CO 0.88 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 179.59 1gq4 h GLU 94 N 0.00 0.00 0.00 1.05 5.08 -1.93 -3.30 114.58 115.48 1gq4 h GLU 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gq4 h GLU 94 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1gq4 h GLU 94 CO 0.00 0.02 -1.15 -1.71 -1.00 0.00 0.00 179.01 175.17 1gq4 n ASN 95 N -3.11 1.61 -3.90 1.42 5.15 -0.04 -5.00 115.26 111.40 1gq4 n ASN 95 Ca 0.02 -0.30 -0.17 0.00 -0.60 0.00 0.00 54.58 53.53 1gq4 n ASN 95 Cb 0.42 1.33 -0.15 0.00 -0.53 0.00 0.00 39.78 40.85 1gq4 n ASN 95 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1gq4 s ASP 96 N -2.86 0.66 0.07 1.20 -1.08 -0.26 -5.01 116.67 109.39 1gq4 s ASP 96 Ca -0.01 -0.09 0.05 0.00 -0.52 0.00 0.00 52.55 51.98 1gq4 s ASP 96 Cb 0.08 -0.22 -0.03 0.00 -1.46 0.00 0.00 42.92 41.29 1gq4 s ASP 96 CO 0.48 -0.01 -0.13 -0.44 0.52 0.00 0.00 175.17 175.59 1gq4 s SER 97 N 0.47 1.57 -0.13 -0.34 0.01 -1.26 -4.43 113.70 109.58 1gq4 s SER 97 Ca -0.05 -0.63 -0.13 0.00 1.31 0.00 0.00 55.95 56.44 1gq4 s SER 97 Cb -0.09 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 1gq4 s SER 97 CO -0.00 -0.11 0.28 -0.22 0.41 0.00 0.00 173.24 173.60 1gq4 s LEU 98 N -1.81 4.30 0.00 2.44 2.96 -1.26 -5.21 118.68 120.09 1gq4 s LEU 98 Ca -0.02 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1gq4 s LEU 98 Cb -0.09 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.25 1gq4 s LEU 98 CO 0.02 0.18 0.53 0.18 -1.32 0.00 0.00 176.35 175.94