#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gta s ASP 3 N 0.00 5.00 0.13 -3.46 1.01 -1.26 -5.10 116.67 113.00 2gta s ASP 3 Ca 0.00 -0.94 -0.30 0.00 0.71 0.00 0.00 52.55 52.02 2gta s ASP 3 Cb 0.00 0.40 -0.06 0.00 1.01 0.00 0.00 42.92 44.26 2gta s ASP 3 CO 0.00 -1.36 1.01 -0.54 0.21 0.00 0.00 175.17 174.49 2gta s LYS 4 N -4.64 4.66 0.00 8.23 1.02 -1.26 -5.15 119.74 122.60 2gta s LYS 4 Ca 0.59 1.54 0.00 0.00 0.02 0.00 0.00 55.97 58.12 2gta s LYS 4 Cb -0.05 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 2gta s LYS 4 CO 0.37 0.16 0.00 0.25 -0.92 0.00 0.00 175.35 175.21 2gta n THR 5 N 2.68 0.00 0.00 2.17 -2.24 -1.26 -4.99 114.28 110.64 2gta n THR 5 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2gta n THR 5 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2gta n THR 5 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2gta n LYS 7 N 0.00 0.00 -0.08 -0.78 -0.00 -1.26 -1.56 118.16 114.48 2gta n LYS 7 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 2gta n LYS 7 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.11 2gta n LYS 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2gta h ASP 8 N 0.00 0.78 -0.57 -5.58 3.32 -1.98 -0.21 116.42 112.19 2gta h ASP 8 Ca 0.00 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 2gta h ASP 8 Cb 0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2gta h ASP 8 CO 0.00 1.01 0.20 0.40 -1.72 0.00 0.00 179.24 179.13 2gta h ILE 9 N 0.65 1.23 -0.51 0.35 2.04 -1.67 0.61 117.51 120.21 2gta h ILE 9 Ca 0.08 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 2gta h ILE 9 Cb 0.79 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2gta h ILE 9 CO 0.06 0.28 0.18 1.56 0.00 0.00 0.00 178.15 180.24 2gta h GLN 10 N 0.79 0.77 -0.44 2.37 4.20 -1.78 -1.96 115.11 119.05 2gta h GLN 10 Ca 0.19 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2gta h GLN 10 Cb 0.24 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2gta h GLN 10 CO -0.01 0.70 0.20 0.00 -0.67 0.00 0.00 178.83 179.05 2gta h ALA 11 N 1.03 0.57 -0.58 3.87 0.00 -0.53 -1.60 119.26 122.02 2gta h ALA 11 Ca 0.17 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2gta h ALA 11 Cb 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2gta h ALA 11 CO -0.01 0.15 0.27 1.49 0.00 0.00 0.00 179.25 181.16 2gta h GLU 12 N 0.57 0.49 -0.03 0.00 4.81 0.46 -0.97 114.58 119.91 2gta h GLU 12 Ca 0.15 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2gta h GLU 12 Cb 0.15 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2gta h GLU 12 CO -0.02 0.33 0.02 0.28 -0.73 0.00 0.00 179.01 178.89 2gta h VAL 13 N 0.51 1.07 -0.87 0.32 2.07 -1.09 -2.47 116.25 115.79 2gta h VAL 13 Ca 0.27 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2gta h VAL 13 Cb 0.24 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2gta h VAL 13 CO -0.22 0.06 0.56 -0.78 0.02 0.00 0.00 177.57 177.21 2gta h ASP 14 N -0.04 0.83 0.45 0.57 3.58 -0.66 0.90 116.42 122.06 2gta h ASP 14 Ca 0.01 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 2gta h ASP 14 Cb 0.08 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2gta h ASP 14 CO -0.00 0.53 -0.45 0.03 -2.88 0.00 0.00 179.24 176.47 2gta h ARG 15 N 0.94 0.00 0.20 0.28 3.08 -1.04 0.17 114.38 118.02 2gta h ARG 15 Ca 0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 2gta h ARG 15 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2gta h ARG 15 CO -0.15 0.45 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.18 2gta h TYR 16 N 0.00 -0.25 -0.06 3.04 3.20 -0.62 -3.26 116.97 119.02 2gta h TYR 16 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2gta h TYR 16 Cb 0.79 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2gta h TYR 16 CO 0.00 0.15 -0.11 0.82 -1.64 0.00 0.00 178.16 177.37 2gta h ILE 17 N -0.86 1.12 0.00 1.81 1.08 -0.82 -2.77 117.51 117.07 2gta h ILE 17 Ca -0.03 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2gta h ILE 17 Cb 0.51 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 2gta h ILE 17 CO 0.05 0.16 0.00 0.61 -0.69 0.00 0.00 178.15 178.27 2gta n GLY 18 N -1.10 -0.81 1.01 5.37 0.00 0.60 -2.19 105.19 108.06 2gta n GLY 18 Ca -0.02 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2gta n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gta n GLN 19 N -1.44 2.28 -4.68 1.61 10.64 -1.04 -4.83 117.38 119.92 2gta n GLN 19 Ca 0.03 -1.97 -0.33 0.00 -1.83 0.00 0.00 57.00 52.90 2gta n GLN 19 Cb 0.12 -1.45 -0.12 0.00 -0.86 0.00 0.00 30.24 27.92 2gta n GLN 19 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2gta s PHE 20 N -1.36 2.88 0.21 2.61 0.40 -0.93 -5.02 117.98 116.77 2gta s PHE 20 Ca 0.37 -0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 56.42 2gta s PHE 20 Cb 0.20 -1.77 0.16 0.00 0.51 0.00 0.00 43.02 42.12 2gta s PHE 20 CO 0.27 0.12 1.69 1.57 0.70 0.00 0.00 175.22 179.57 2gta h LYS 21 N 5.84 1.01 -0.93 0.44 -0.00 -1.88 -2.99 116.57 118.07 2gta h LYS 21 Ca -0.40 -0.29 0.09 0.00 -0.00 0.00 0.00 60.65 60.05 2gta h LYS 21 Cb 1.18 -0.11 -0.07 0.00 -0.00 0.00 0.00 32.23 33.23 2gta h LYS 21 CO 0.54 0.97 0.57 1.05 -0.00 0.00 0.00 179.45 182.59 2gta h GLU 22 N 0.94 0.95 0.00 0.07 9.09 -1.95 -3.48 114.58 120.20 2gta h GLU 22 Ca 0.18 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.53 2gta h GLU 22 Cb 0.49 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2gta h GLU 22 CO 0.02 0.63 0.00 0.41 0.05 0.00 0.00 179.01 180.12 2gta n GLY 23 N -1.34 0.08 3.90 1.06 0.00 -1.13 -4.88 105.19 102.88 2gta n GLY 23 Ca 0.15 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2gta n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gta s TYR 24 N 0.00 2.81 0.57 1.61 2.02 -1.26 -5.01 117.35 118.09 2gta s TYR 24 Ca 0.00 0.69 0.02 0.00 -0.37 0.00 0.00 57.07 57.40 2gta s TYR 24 Cb 0.00 -3.54 0.05 0.00 -0.40 0.00 0.00 41.96 38.06 2gta s TYR 24 CO 0.00 -1.85 0.80 -0.06 -1.57 0.00 0.00 175.55 172.87 2gta s PHE 25 N -3.59 2.64 0.58 2.71 0.08 -1.26 -5.09 117.98 114.04 2gta s PHE 25 Ca 0.63 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 57.49 2gta s PHE 25 Cb -0.10 -2.76 -0.04 0.00 -0.57 0.00 0.00 43.02 39.55 2gta s PHE 25 CO 0.49 -0.98 0.98 -1.54 -0.10 0.00 0.00 175.22 174.07 2gta s SER 26 N -4.47 6.29 0.22 1.36 1.04 -1.26 -4.96 113.70 111.91 2gta s SER 26 Ca 0.59 1.36 -0.08 0.00 0.48 0.00 0.00 55.95 58.29 2gta s SER 26 Cb -0.09 -2.44 0.34 0.00 0.10 0.00 0.00 66.02 63.93 2gta s SER 26 CO 0.39 -0.78 1.71 -0.65 0.98 0.00 0.00 173.24 174.89 2gta h PRO 27 N -0.05 0.29 -0.01 4.02 0.11 -1.98 -2.16 132.00 132.21 2gta h PRO 27 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2gta h PRO 27 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2gta h PRO 27 CO 0.62 0.19 -0.47 -0.07 -0.21 0.00 0.00 178.00 178.06 2gta h LEU 28 N 0.30 0.03 -7.89 2.35 3.38 -2.05 -3.43 115.31 108.00 2gta h LEU 28 Ca 0.34 -0.01 -0.60 0.00 0.09 0.00 0.00 57.88 57.70 2gta h LEU 28 Cb 0.52 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 2gta h LEU 28 CO -0.41 0.50 1.95 0.00 0.09 0.00 0.00 178.44 180.57 2gta s ALA 29 N -3.97 2.98 0.00 1.53 0.00 -0.82 -4.74 121.76 116.74 2gta s ALA 29 Ca -0.02 -2.75 0.00 0.00 0.00 0.00 0.00 51.96 49.19 2gta s ALA 29 Cb 0.14 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2gta s ALA 29 CO 0.75 -3.73 0.00 0.00 0.00 0.00 0.00 175.76 172.77 2gta n ALA 32 N 9.74 0.00 -0.23 0.00 0.00 -1.26 -4.67 120.51 124.09 2gta n ALA 32 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.86 2gta n ALA 32 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.95 2gta n ALA 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2gta h ARG 33 N 0.00 0.88 -0.06 0.00 9.65 -1.95 -2.26 114.38 120.63 2gta h ARG 33 Ca 0.00 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 2gta h ARG 33 Cb 0.00 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.39 2gta h ARG 33 CO 0.00 0.62 -0.03 1.25 2.80 0.00 0.00 179.97 184.62 2gta h LEU 34 N 0.88 0.13 -0.30 3.80 6.46 -1.94 -2.85 115.31 121.49 2gta h LEU 34 Ca 0.23 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2gta h LEU 34 Cb -0.03 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2gta h LEU 34 CO -0.04 0.51 0.00 0.35 -0.62 0.00 0.00 178.44 178.63 2gta n THR 35 N -4.80 1.14 -0.05 1.05 -2.24 -1.18 -1.51 114.28 106.70 2gta n THR 35 Ca -0.07 0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.93 2gta n THR 35 Cb 0.24 -1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 67.18 2gta n THR 35 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2gta h GLU 36 N 0.00 -0.02 0.00 -0.78 4.81 -1.18 -2.89 114.58 114.52 2gta h GLU 36 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2gta h GLU 36 Cb 0.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2gta h GLU 36 CO 0.00 0.70 -0.24 0.93 -0.73 0.00 0.00 179.01 179.67 2gta h GLU 37 N -0.96 0.00 -0.14 1.92 4.39 -1.30 -2.43 114.58 116.06 2gta h GLU 37 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2gta h GLU 37 Cb 0.73 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2gta h GLU 37 CO 0.00 0.24 0.02 1.25 -1.16 0.00 0.00 179.01 179.36 2gta h LEU 38 N 0.00 0.22 -1.24 1.33 5.85 -1.35 -1.73 115.31 118.38 2gta h LEU 38 Ca -0.00 -0.27 0.15 0.00 0.84 0.00 0.00 57.88 58.59 2gta h LEU 38 Cb 0.56 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 2gta h LEU 38 CO 0.03 0.44 0.59 1.23 -0.34 0.00 0.00 178.44 180.38 2gta h GLY 39 N -0.01 1.28 1.03 3.75 0.00 -1.21 0.45 103.07 108.37 2gta h GLY 39 Ca 0.04 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 2gta h GLY 39 CO 0.00 0.09 -0.23 0.83 0.00 0.00 0.00 176.54 177.23 2gta h GLU 40 N 0.72 0.83 -0.82 4.80 5.08 -1.26 0.11 114.58 124.05 2gta h GLU 40 Ca 0.46 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2gta h GLU 40 Cb 0.72 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2gta h GLU 40 CO -0.22 1.02 0.54 1.25 -1.00 0.00 0.00 179.01 180.60 2gta h LEU 41 N 0.64 0.93 -0.52 1.33 5.85 -0.08 -0.85 115.31 122.61 2gta h LEU 41 Ca 0.08 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2gta h LEU 41 Cb 0.79 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2gta h LEU 41 CO 0.06 0.67 0.11 0.00 -0.34 0.00 0.00 178.44 178.94 2gta h ALA 42 N 1.30 0.68 -0.43 1.25 0.00 0.20 -1.93 119.26 120.33 2gta h ALA 42 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2gta h ALA 42 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2gta h ALA 42 CO -0.07 0.40 0.28 -0.09 0.00 0.00 0.00 179.25 179.77 2gta h ARG 43 N 0.73 0.56 0.17 0.00 2.43 -0.24 -1.40 114.38 116.62 2gta h ARG 43 Ca 0.16 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2gta h ARG 43 Cb 0.37 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2gta h ARG 43 CO 0.01 0.38 -0.08 1.49 -1.51 0.00 0.00 179.97 180.25 2gta h GLU 44 N 0.58 -0.22 0.00 0.20 4.57 -0.96 -2.13 114.58 116.62 2gta h GLU 44 Ca 0.16 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 2gta h GLU 44 Cb -0.06 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2gta h GLU 44 CO -0.03 -0.13 -0.25 -0.39 -1.18 0.00 0.00 179.01 177.03 2gta h VAL 45 N -0.25 1.17 0.00 0.32 -1.51 -1.30 0.16 116.25 114.84 2gta h VAL 45 Ca -0.02 -0.87 -0.06 0.00 -1.23 0.00 0.00 66.70 64.52 2gta h VAL 45 Cb 0.19 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 2gta h VAL 45 CO 0.04 0.25 -0.27 -1.13 -1.23 0.00 0.00 177.57 175.23 2gta h ASN 46 N 0.00 0.00 0.01 4.19 -0.00 -0.93 0.25 115.58 119.09 2gta h ASN 46 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.24 2gta h ASN 46 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.76 2gta h ASN 46 CO 0.03 0.27 -0.31 0.45 -0.00 0.00 0.00 177.43 177.87 2gta h HIS 47 N 0.00 0.03 -0.07 0.67 3.86 -0.24 -1.67 115.15 117.74 2gta h HIS 47 Ca -0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 2gta h HIS 47 Cb 0.68 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 2gta h HIS 47 CO 0.00 1.12 -0.08 -0.09 0.86 0.00 0.00 177.93 179.74 2gta h ARG 48 N -0.96 0.17 -0.00 2.45 9.65 -0.76 -3.38 114.38 121.55 2gta h ARG 48 Ca -0.08 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2gta h ARG 48 Cb 1.10 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 2gta h ARG 48 CO -0.04 0.64 0.00 0.66 2.80 0.00 0.00 179.97 184.04 2gta n TYR 49 N -4.69 0.00 -0.78 2.20 4.01 -0.06 -5.03 117.16 112.81 2gta n TYR 49 Ca -0.08 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2gta n TYR 49 Cb 0.32 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2gta n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gta n GLY 50 N 0.02 1.68 0.71 2.72 0.00 0.67 -4.94 105.19 106.05 2gta n GLY 50 Ca 0.01 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.29 2gta n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gta n GLU 51 N 0.00 1.93 -1.96 1.61 1.02 -0.73 -4.82 120.64 117.69 2gta n GLU 51 Ca 0.00 -1.80 -0.29 0.00 -0.02 0.00 0.00 57.16 55.05 2gta n GLU 51 Cb 0.00 -1.32 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 2gta n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2gta s LYS 52 N -1.11 2.76 0.33 3.49 1.02 -0.84 -4.97 119.74 120.42 2gta s LYS 52 Ca 0.24 0.35 -0.29 0.00 0.02 0.00 0.00 55.97 56.28 2gta s LYS 52 Cb 0.14 -2.05 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 2gta s LYS 52 CO 0.19 -1.05 1.48 -2.30 -0.92 0.00 0.00 175.35 172.76 2gta n PRO 53 N -2.98 2.53 -1.85 -1.68 -0.02 -1.26 -4.69 135.00 125.06 2gta n PRO 53 Ca 0.07 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 2gta n PRO 53 Cb 0.58 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 2gta n PRO 53 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2gta s LYS 54 N -1.34 4.17 0.87 -0.52 0.00 -1.26 -4.82 119.74 116.85 2gta s LYS 54 Ca 0.59 2.48 -0.12 0.00 0.00 0.00 0.00 55.97 58.92 2gta s LYS 54 Cb -0.52 -3.08 0.09 0.00 0.00 0.00 0.00 37.83 34.32 2gta s LYS 54 CO 0.57 -0.61 0.98 1.63 0.00 0.00 0.00 175.35 177.92 2gta n LYS 55 N 3.00 -0.14 0.02 1.78 4.76 -1.26 -4.95 118.16 121.37 2gta n LYS 55 Ca 0.11 0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.36 2gta n LYS 55 Cb 0.38 -2.26 -0.14 0.00 -1.84 0.00 0.00 35.03 31.17 2gta n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gta h ALA 56 N -1.36 0.21 -2.11 7.82 0.00 -2.02 -3.47 119.26 118.34 2gta h ALA 56 Ca -0.44 -1.14 -0.61 0.00 0.00 0.00 0.00 54.91 52.71 2gta h ALA 56 Cb 1.29 0.52 0.08 0.00 0.00 0.00 0.00 17.79 19.67 2gta h ALA 56 CO 0.42 0.92 0.53 -2.37 0.00 0.00 0.00 179.25 178.75 2gta n THR 57 N -3.82 0.75 -0.82 0.00 5.66 -1.26 -4.95 114.28 109.83 2gta n THR 57 Ca -0.26 -0.19 -0.29 0.00 -3.05 0.00 0.00 64.05 60.26 2gta n THR 57 Cb 0.94 -1.26 0.20 0.00 -1.55 0.00 0.00 70.33 68.67 2gta n THR 57 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2gta s GLU 58 N -0.17 0.07 0.14 1.09 1.03 -1.26 -4.87 118.70 114.73 2gta s GLU 58 Ca 0.72 0.90 -0.34 0.00 0.03 0.00 0.00 54.97 56.27 2gta s GLU 58 Cb -0.73 -1.67 -0.15 0.00 -0.80 0.00 0.00 34.13 30.78 2gta s GLU 58 CO 0.49 -3.07 1.42 -3.47 -1.33 0.00 0.00 175.26 169.30 2gta n ASP 59 N -4.47 2.31 0.00 0.83 2.03 -1.26 -4.95 116.55 111.04 2gta n ASP 59 Ca 0.06 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.48 2gta n ASP 59 Cb 0.55 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 2gta n ASP 59 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2gta n ASP 60 N 2.76 0.00 -0.11 1.67 5.68 -1.26 -5.04 116.55 120.26 2gta n ASP 60 Ca 0.17 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.55 2gta n ASP 60 Cb 0.25 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.38 2gta n ASP 60 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2gta n LYS 61 N 0.00 1.35 0.00 0.11 4.76 -1.26 -4.91 118.16 118.20 2gta n LYS 61 Ca 0.00 -2.60 0.00 0.00 -2.87 0.00 0.00 58.31 52.84 2gta n LYS 61 Cb 0.00 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 2gta n LYS 61 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2gta n SER 62 N -1.40 0.00 0.00 4.39 7.64 -1.26 -1.51 113.62 121.48 2gta n SER 62 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2gta n SER 62 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2gta n SER 62 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2gta n GLU 64 N 0.78 0.00 -0.16 1.43 1.02 -1.26 -0.98 120.64 121.46 2gta n GLU 64 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2gta n GLU 64 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2gta n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2gta h GLU 65 N 0.00 0.82 0.00 3.49 5.08 -1.69 0.31 114.58 122.58 2gta h GLU 65 Ca 0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2gta h GLU 65 Cb 0.00 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2gta h GLU 65 CO 0.00 0.85 -0.11 0.93 -1.00 0.00 0.00 179.01 179.68 2gta h GLU 66 N 0.67 0.00 0.04 2.33 4.39 -1.32 -1.01 114.58 119.68 2gta h GLU 66 Ca 0.14 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.53 2gta h GLU 66 Cb 0.47 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2gta h GLU 66 CO 0.02 0.11 -1.71 0.82 -1.16 0.00 0.00 179.01 177.09 2gta h ILE 67 N 0.00 0.87 0.00 3.13 2.04 -1.70 -3.30 117.51 118.55 2gta h ILE 67 Ca -0.00 -2.67 -0.03 0.00 1.00 0.00 0.00 64.86 63.16 2gta h ILE 67 Cb 0.33 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2gta h ILE 67 CO 0.01 0.64 -0.15 1.23 0.00 0.00 0.00 178.15 179.88 2gta h GLY 68 N 2.77 0.00 0.87 5.37 0.00 0.32 -1.75 103.07 110.66 2gta h GLY 68 Ca -0.30 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 2gta h GLY 68 CO 0.09 0.00 -0.64 -0.55 0.00 0.00 0.00 176.54 175.44 2gta h ASP 69 N 0.00 0.61 -0.55 0.19 3.32 -1.30 -0.16 116.42 118.53 2gta h ASP 69 Ca -0.00 -0.73 -0.03 0.00 0.02 0.00 0.00 57.03 56.29 2gta h ASP 69 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2gta h ASP 69 CO 0.02 1.25 0.21 0.58 -1.72 0.00 0.00 179.24 179.58 2gta h VAL 70 N 0.03 1.22 -0.84 -1.35 2.07 -1.58 -0.67 116.25 115.13 2gta h VAL 70 Ca -0.07 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 2gta h VAL 70 Cb 1.32 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2gta h VAL 70 CO 0.13 0.27 0.43 0.25 0.02 0.00 0.00 177.57 178.67 2gta h LEU 71 N 0.76 1.07 0.62 2.57 7.12 -1.34 0.02 115.31 126.14 2gta h LEU 71 Ca 0.18 -0.12 -0.03 0.00 0.13 0.00 0.00 57.88 58.04 2gta h LEU 71 Cb 0.22 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 2gta h LEU 71 CO -0.01 0.89 -0.32 0.15 -0.13 0.00 0.00 178.44 179.01 2gta h PHE 72 N 1.18 -0.84 -0.95 1.25 3.57 -0.31 -0.34 116.94 120.50 2gta h PHE 72 Ca 0.29 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 62.00 2gta h PHE 72 Cb 0.08 0.29 -0.12 0.00 2.79 0.00 0.00 35.95 38.98 2gta h PHE 72 CO 0.01 -0.51 0.51 0.28 -2.23 0.00 0.00 178.31 176.37 2gta h VAL 73 N -0.87 0.53 -0.65 1.41 2.07 -1.01 0.32 116.25 118.06 2gta h VAL 73 Ca -0.09 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2gta h VAL 73 Cb 0.67 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2gta h VAL 73 CO 0.13 0.10 0.14 0.25 0.02 0.00 0.00 177.57 178.21 2gta h LEU 74 N 0.53 0.98 -0.50 2.57 5.85 -0.78 -0.04 115.31 123.92 2gta h LEU 74 Ca 0.60 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 59.01 2gta h LEU 74 Cb 1.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2gta h LEU 74 CO -0.48 0.95 -0.10 0.58 -0.34 0.00 0.00 178.44 179.05 2gta h VAL 75 N 0.98 1.27 -0.32 1.05 2.07 0.13 -1.11 116.25 120.32 2gta h VAL 75 Ca 0.21 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.49 2gta h VAL 75 Cb 0.37 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2gta h VAL 75 CO 0.00 0.43 0.20 0.00 0.02 0.00 0.00 177.57 178.23 2gta h LEU 77 N 0.41 0.00 0.04 0.00 5.85 -0.86 -1.71 115.31 119.05 2gta h LEU 77 Ca 0.12 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2gta h LEU 77 Cb -0.03 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.01 2gta h LEU 77 CO -0.04 0.16 -0.36 0.00 -0.34 0.00 0.00 178.44 177.86 2gta h ALA 78 N 1.84 -0.01 0.06 1.25 0.00 0.02 -3.27 119.26 119.15 2gta h ALA 78 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2gta h ALA 78 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2gta h ALA 78 CO 0.02 0.16 -0.03 -0.91 0.00 0.00 0.00 179.25 178.49 2gta h ASN 79 N -0.60 -0.06 0.00 0.00 2.35 -0.71 -0.61 115.58 115.95 2gta h ASN 79 Ca -0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2gta h ASN 79 Cb 1.21 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2gta h ASN 79 CO 0.07 -0.04 0.43 0.77 -1.65 0.00 0.00 177.43 177.01 2gta h SER 80 N -0.08 0.00 -0.02 5.81 4.64 -1.43 0.67 113.55 123.14 2gta h SER 80 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2gta h SER 80 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2gta h SER 80 CO 0.01 0.00 -0.10 0.18 -0.87 0.00 0.00 176.83 176.06 2gta n LEU 81 N -2.43 2.51 -3.03 5.97 4.77 -0.84 -4.97 117.00 118.98 2gta n LEU 81 Ca -0.01 -3.25 -0.19 0.00 -0.03 0.00 0.00 56.01 52.52 2gta n LEU 81 Cb 0.46 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2gta n LEU 81 CO 0.08 0.85 -0.07 0.47 -1.33 0.00 0.00 177.39 177.39 2gta n ASP 82 N -1.33 -3.94 -4.73 -1.43 8.00 0.23 -4.94 116.55 108.41 2gta n ASP 82 Ca 0.17 -0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.14 2gta n ASP 82 Cb 0.67 -3.28 -0.08 0.00 -0.02 0.00 0.00 41.12 38.41 2gta n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2gta s ILE 83 N -2.84 5.05 -0.38 0.53 1.01 -0.30 -5.02 121.20 119.25 2gta s ILE 83 Ca 0.26 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.75 2gta s ILE 83 Cb -0.13 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.11 2gta s ILE 83 CO 0.32 0.53 0.62 -0.55 0.00 0.00 0.00 174.94 175.85 2gta s SER 84 N -0.26 6.37 0.25 3.58 0.15 -1.26 -4.29 113.70 118.24 2gta s SER 84 Ca 0.09 -0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.65 2gta s SER 84 Cb -0.12 -2.31 0.28 0.00 -1.71 0.00 0.00 66.02 62.15 2gta s SER 84 CO 0.01 -0.64 1.91 -0.07 1.20 0.00 0.00 173.24 175.66 2gta h LEU 85 N 9.43 1.11 -0.56 3.45 3.38 -1.97 0.21 115.31 130.37 2gta h LEU 85 Ca -0.26 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.73 2gta h LEU 85 Cb 1.11 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2gta h LEU 85 CO 0.84 0.83 0.23 -0.08 0.09 0.00 0.00 178.44 180.36 2gta h GLU 86 N 1.30 0.41 -0.29 1.13 4.81 -1.99 0.18 114.58 120.13 2gta h GLU 86 Ca 0.34 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 2gta h GLU 86 Cb -0.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2gta h GLU 86 CO -0.07 0.27 -0.34 1.49 -0.73 0.00 0.00 179.01 179.63 2gta h GLU 87 N 0.43 0.64 -0.17 1.92 4.81 -1.82 -2.50 114.58 117.89 2gta h GLU 87 Ca 0.27 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2gta h GLU 87 Cb 0.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2gta h GLU 87 CO -0.25 0.89 -0.25 0.00 -0.73 0.00 0.00 179.01 178.67 2gta h ALA 88 N 1.08 1.27 -0.45 2.92 0.00 0.06 -2.66 119.26 121.47 2gta h ALA 88 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2gta h ALA 88 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2gta h ALA 88 CO 0.07 0.49 0.09 1.25 0.00 0.00 0.00 179.25 181.15 2gta h HIS 89 N 0.28 0.78 0.00 0.00 -0.00 -0.30 -2.51 115.15 113.39 2gta h HIS 89 Ca 0.04 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2gta h HIS 89 Cb 0.59 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.79 2gta h HIS 89 CO 0.01 0.73 -0.02 -0.44 -0.00 0.00 0.00 177.93 178.21 2gta h ASP 90 N 0.61 0.00 0.80 3.26 3.32 -1.11 -2.96 116.42 120.33 2gta h ASP 90 Ca 0.14 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2gta h ASP 90 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2gta h ASP 90 CO 0.01 0.02 -0.42 0.03 -1.72 0.00 0.00 179.24 177.16 2gta h ARG 91 N 0.00 -1.07 -2.10 3.56 2.47 -1.26 -1.77 114.38 114.21 2gta h ARG 91 Ca -0.00 0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2gta h ARG 91 Cb 0.04 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2gta h ARG 91 CO 0.00 -0.72 0.05 1.33 0.56 0.00 0.00 179.97 181.19 2gta n VAL 92 N -5.11 0.00 0.00 2.04 0.24 -1.12 -0.91 118.33 113.47 2gta n VAL 92 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2gta n VAL 92 Cb 0.45 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 2gta n VAL 92 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2gta n HIS 94 N 2.03 0.00 0.31 6.34 -0.00 -0.67 -1.14 115.22 122.09 2gta n HIS 94 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 57.92 2gta n HIS 94 Cb 0.00 0.00 1.04 0.00 -0.00 0.00 0.00 29.99 31.03 2gta n HIS 94 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2gta h LYS 95 N 0.00 0.00 0.00 1.57 2.10 -1.29 -2.82 116.57 116.13 2gta h LYS 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2gta h LYS 95 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2gta h LYS 95 CO 0.00 0.01 0.00 1.19 -2.00 0.00 0.00 179.45 178.65 2gta n PHE 96 N -3.23 0.00 -0.83 0.07 0.99 -0.29 -4.45 117.46 109.71 2gta n PHE 96 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.23 2gta n PHE 96 Cb 0.13 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.56 2gta n PHE 96 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2gta n ASN 97 N 0.00 5.18 0.00 4.37 2.04 -1.26 -5.20 115.26 120.39 2gta n ASN 97 Ca 0.00 -2.32 0.00 0.00 -0.44 0.00 0.00 54.58 51.82 2gta n ASN 97 Cb 0.00 -1.14 0.00 0.00 -2.53 0.00 0.00 39.78 36.11 2gta n ASN 97 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89