#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 4.77 0.16 4.04 -1.08 -1.26 -5.10 116.67 118.20 2gta s ASP 3 Ca 0.00 -0.16 -0.30 0.00 -0.52 0.00 0.00 52.55 51.57 2gta s ASP 3 Cb 0.00 -1.79 -0.08 0.00 -1.46 0.00 0.00 42.92 39.60 2gta s ASP 3 CO 0.00 0.14 1.21 -0.54 0.52 0.00 0.00 175.17 176.50 2gta s LYS 4 N 0.53 4.47 0.00 4.34 1.02 -1.26 -5.14 119.74 123.70 2gta s LYS 4 Ca -0.03 1.87 0.00 0.00 0.02 0.00 0.00 55.97 57.84 2gta s LYS 4 Cb -0.14 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2gta s LYS 4 CO 0.03 -0.14 0.00 -2.37 -0.92 0.00 0.00 175.35 171.94 2gta n THR 5 N 2.85 0.00 0.00 2.17 5.66 -1.26 -4.98 114.28 118.72 2gta n THR 5 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 2gta n THR 5 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2gta n THR 5 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2gta n LYS 7 N 0.00 0.00 -0.17 1.09 5.02 -1.26 -1.76 118.16 121.08 2gta n LYS 7 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 2gta n LYS 7 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 2gta n LYS 7 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2gta h ASP 8 N 0.00 -0.25 -0.35 4.39 5.19 -1.98 0.24 116.42 123.66 2gta h ASP 8 Ca 0.00 0.13 0.04 0.00 -0.62 0.00 0.00 57.03 56.58 2gta h ASP 8 Cb 0.00 0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.70 2gta h ASP 8 CO 0.00 -0.09 0.11 0.40 -3.12 0.00 0.00 179.24 176.54 2gta h ILE 9 N 0.11 0.88 -0.48 0.35 2.04 -1.72 0.28 117.51 118.97 2gta h ILE 9 Ca 0.27 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.08 2gta h ILE 9 Cb 0.41 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2gta h ILE 9 CO -0.45 0.04 0.23 1.56 0.00 0.00 0.00 178.15 179.54 2gta h GLN 10 N 0.25 0.45 -0.58 2.37 4.20 -1.29 -1.66 115.11 118.84 2gta h GLN 10 Ca 0.16 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.85 2gta h GLN 10 Cb 0.15 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2gta h GLN 10 CO -0.18 0.30 0.39 0.00 -0.67 0.00 0.00 178.83 178.67 2gta h ALA 11 N 1.26 0.74 -0.67 3.87 0.00 0.35 0.15 119.26 124.95 2gta h ALA 11 Ca 0.21 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2gta h ALA 11 Cb 0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2gta h ALA 11 CO -0.15 0.17 0.39 1.49 0.00 0.00 0.00 179.25 181.15 2gta h GLU 12 N 0.79 0.72 -0.42 0.00 4.81 0.13 -0.51 114.58 120.10 2gta h GLU 12 Ca 0.21 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 2gta h GLU 12 Cb -0.09 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 2gta h GLU 12 CO -0.05 0.48 -0.17 0.28 -0.73 0.00 0.00 179.01 178.83 2gta h VAL 13 N 0.74 1.27 -0.69 0.32 2.07 -0.82 -2.63 116.25 116.51 2gta h VAL 13 Ca 0.28 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2gta h VAL 13 Cb 0.11 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2gta h VAL 13 CO -0.15 0.43 0.32 -0.78 0.02 0.00 0.00 177.57 177.42 2gta h ASP 14 N 0.72 0.89 -0.12 0.57 3.58 0.00 -2.08 116.42 119.98 2gta h ASP 14 Ca 0.11 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.38 2gta h ASP 14 Cb 0.67 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2gta h ASP 14 CO 0.05 0.76 -0.17 0.03 -2.88 0.00 0.00 179.24 177.03 2gta h ARG 15 N 0.98 0.51 0.50 0.28 3.08 -0.78 0.11 114.38 119.06 2gta h ARG 15 Ca 0.24 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2gta h ARG 15 Cb 0.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2gta h ARG 15 CO -0.03 0.66 -0.24 -0.92 -1.07 0.00 0.00 179.97 178.37 2gta h TYR 16 N 0.46 -0.62 -0.44 3.04 3.20 -1.10 -2.95 116.97 118.56 2gta h TYR 16 Ca 0.08 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.01 2gta h TYR 16 Cb 0.56 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2gta h TYR 16 CO 0.02 -0.30 0.30 0.82 -1.64 0.00 0.00 178.16 177.35 2gta h ILE 17 N -1.03 0.91 0.00 1.81 1.08 -1.38 -1.19 117.51 117.72 2gta h ILE 17 Ca -0.07 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2gta h ILE 17 Cb 0.60 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2gta h ILE 17 CO 0.11 0.05 0.00 1.23 -0.69 0.00 0.00 178.15 178.85 2gta h GLY 18 N 0.27 0.00 2.00 5.37 0.00 -0.66 -2.94 103.07 107.10 2gta h GLY 18 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 2gta h GLY 18 CO -0.04 0.00 -0.24 1.46 0.00 0.00 0.00 176.54 177.72 2gta h GLN 19 N 0.00 0.00 -6.20 4.80 4.20 -1.04 -3.45 115.11 113.42 2gta h GLN 19 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 2gta h GLN 19 Cb 0.31 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 2gta h GLN 19 CO 0.00 0.24 -0.54 -0.06 -0.67 0.00 0.00 178.83 177.80 2gta s PHE 20 N -4.47 3.04 0.11 2.96 0.08 -1.11 -5.05 117.98 113.53 2gta s PHE 20 Ca -0.03 -0.13 -0.18 0.00 0.12 0.00 0.00 56.93 56.71 2gta s PHE 20 Cb 0.15 -1.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.18 2gta s PHE 20 CO 0.70 0.53 1.62 1.57 -0.10 0.00 0.00 175.22 179.54 2gta h LYS 21 N 1.55 0.48 -0.97 0.44 2.10 -1.87 -3.24 116.57 115.06 2gta h LYS 21 Ca -0.48 -0.10 0.20 0.00 -2.00 0.00 0.00 60.65 58.27 2gta h LYS 21 Cb 1.24 -0.07 -0.09 0.00 -0.90 0.00 0.00 32.23 32.41 2gta h LYS 21 CO 0.61 0.53 0.61 0.93 -2.00 0.00 0.00 179.45 180.13 2gta h GLU 22 N 0.34 0.58 0.00 0.07 3.07 -1.97 -3.48 114.58 113.19 2gta h GLU 22 Ca 0.10 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2gta h GLU 22 Cb 0.25 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2gta h GLU 22 CO -0.00 0.38 0.00 0.41 -1.40 0.00 0.00 179.01 178.40 2gta n GLY 23 N -1.42 0.26 3.79 -3.84 0.00 -1.23 -4.76 105.19 97.99 2gta n GLY 23 Ca 0.22 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 2.91 0.58 1.61 1.51 -1.26 -5.02 117.35 117.69 2gta s TYR 24 Ca 0.00 1.56 -0.16 0.00 -1.01 0.00 0.00 57.07 57.46 2gta s TYR 24 Cb 0.00 -3.12 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 2gta s TYR 24 CO 0.00 -1.04 1.07 -0.06 -1.11 0.00 0.00 175.55 174.40 2gta s PHE 25 N -1.97 2.92 0.74 2.71 0.08 -1.26 -5.00 117.98 116.21 2gta s PHE 25 Ca 0.68 1.53 -0.13 0.00 0.12 0.00 0.00 56.93 59.13 2gta s PHE 25 Cb -0.18 -3.05 0.05 0.00 -0.57 0.00 0.00 43.02 39.26 2gta s PHE 25 CO 0.23 -1.18 1.14 -1.54 -0.10 0.00 0.00 175.22 173.77 2gta s SER 26 N -2.59 4.36 0.28 1.36 1.04 -1.26 -4.87 113.70 112.02 2gta s SER 26 Ca 0.65 2.10 -0.03 0.00 0.48 0.00 0.00 55.95 59.16 2gta s SER 26 Cb -0.17 -2.56 0.60 0.00 0.10 0.00 0.00 66.02 63.99 2gta s SER 26 CO 0.35 -2.14 1.59 -0.65 0.98 0.00 0.00 173.24 173.37 2gta h PRO 27 N -0.61 0.04 0.00 4.02 0.11 -1.98 -0.37 132.00 133.22 2gta h PRO 27 Ca -0.46 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 2gta h PRO 27 Cb 1.26 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2gta h PRO 27 CO 0.50 0.03 -0.43 -0.07 -0.21 0.00 0.00 178.00 177.82 2gta h LEU 28 N 0.04 0.00 -7.55 2.35 3.38 -2.04 -3.42 115.31 108.07 2gta h LEU 28 Ca 0.52 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.88 2gta h LEU 28 Cb 0.98 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 2gta h LEU 28 CO -0.85 0.43 2.11 0.00 0.09 0.00 0.00 178.44 180.21 2gta n ALA 29 N -2.41 3.46 0.00 1.53 0.00 -0.15 -4.79 120.51 118.15 2gta n ALA 29 Ca -0.01 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.77 2gta n ALA 29 Cb 0.48 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.35 2gta n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gta n ALA 32 N 9.27 0.00 -0.08 0.00 0.00 -1.26 -4.77 120.51 123.68 2gta n ALA 32 Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 2gta n ALA 32 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 2gta n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gta h ARG 33 N 0.41 0.44 0.26 0.00 2.47 -1.95 -0.71 114.38 115.30 2gta h ARG 33 Ca 0.00 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2gta h ARG 33 Cb 0.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 2gta h ARG 33 CO 0.00 0.69 -0.28 -0.07 0.56 0.00 0.00 179.97 180.88 2gta h LEU 34 N 0.16 -0.75 -1.40 3.04 3.38 -1.94 0.24 115.31 118.04 2gta h LEU 34 Ca 0.05 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.25 2gta h LEU 34 Cb 0.54 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2gta h LEU 34 CO 0.03 -0.39 0.55 0.74 0.09 0.00 0.00 178.44 179.46 2gta h THR 35 N -0.57 0.80 0.24 0.22 2.02 -1.95 0.43 112.91 114.10 2gta h THR 35 Ca -0.00 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2gta h THR 35 Cb 0.54 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2gta h THR 35 CO -0.07 0.11 -0.11 -0.08 0.37 0.00 0.00 175.52 175.73 2gta h GLU 36 N 0.58 -0.31 0.00 6.66 4.81 -0.21 -2.37 114.58 123.74 2gta h GLU 36 Ca 0.43 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 2gta h GLU 36 Cb 0.81 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2gta h GLU 36 CO -0.18 -0.03 0.00 0.93 -0.73 0.00 0.00 179.01 179.00 2gta h GLU 37 N -0.57 0.00 0.08 1.92 4.39 0.03 -2.43 114.58 118.00 2gta h GLU 37 Ca -0.03 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.40 2gta h GLU 37 Cb 0.42 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2gta h GLU 37 CO 0.05 0.00 -1.14 1.25 -1.16 0.00 0.00 179.01 178.01 2gta h LEU 38 N 0.00 0.67 -0.01 1.33 5.85 0.01 -2.62 115.31 120.55 2gta h LEU 38 Ca 0.00 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2gta h LEU 38 Cb 0.38 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2gta h LEU 38 CO 0.00 1.43 0.00 1.23 -0.34 0.00 0.00 178.44 180.76 2gta h GLY 39 N 0.89 0.01 0.93 3.75 0.00 -0.92 0.15 103.07 107.88 2gta h GLY 39 Ca -0.14 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.21 2gta h GLY 39 CO 0.21 0.00 0.57 0.83 0.00 0.00 0.00 176.54 178.15 2gta h GLU 40 N -0.01 1.10 -0.54 4.80 5.08 -1.58 0.11 114.58 123.54 2gta h GLU 40 Ca 0.00 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2gta h GLU 40 Cb 0.01 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 2gta h GLU 40 CO -0.00 0.72 0.03 1.25 -1.00 0.00 0.00 179.01 180.02 2gta h LEU 41 N 1.13 0.90 -0.84 1.33 5.85 -1.14 -2.60 115.31 119.93 2gta h LEU 41 Ca 0.33 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2gta h LEU 41 Cb -0.06 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 2gta h LEU 41 CO -0.10 0.96 0.54 0.00 -0.34 0.00 0.00 178.44 179.51 2gta h ALA 42 N 0.96 1.11 -0.42 1.25 0.00 0.29 -1.88 119.26 120.56 2gta h ALA 42 Ca 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2gta h ALA 42 Cb 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2gta h ALA 42 CO 0.02 0.37 0.23 -0.09 0.00 0.00 0.00 179.25 179.78 2gta h ARG 43 N 1.05 0.46 -0.08 0.00 2.43 -0.46 -2.12 114.38 115.66 2gta h ARG 43 Ca 0.34 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2gta h ARG 43 Cb 0.01 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2gta h ARG 43 CO -0.12 0.30 0.03 0.93 -1.51 0.00 0.00 179.97 179.61 2gta h GLU 44 N 0.47 0.12 -0.01 0.20 4.39 -1.15 -0.23 114.58 118.36 2gta h GLU 44 Ca 0.17 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2gta h GLU 44 Cb 0.04 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2gta h GLU 44 CO -0.10 0.24 0.02 0.28 -1.16 0.00 0.00 179.01 178.29 2gta h VAL 45 N -0.03 0.40 0.02 3.13 2.07 -1.22 0.92 116.25 121.55 2gta h VAL 45 Ca 0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 2gta h VAL 45 Cb 0.17 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2gta h VAL 45 CO -0.00 0.00 -0.42 -1.13 0.02 0.00 0.00 177.57 176.04 2gta h ASN 46 N 0.00 0.06 0.00 0.57 -0.00 -1.07 -1.99 115.58 113.16 2gta h ASN 46 Ca 0.01 -0.88 0.00 0.00 -0.00 0.00 0.00 56.30 55.42 2gta h ASN 46 Cb 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 2gta h ASN 46 CO -0.00 1.17 0.02 -0.74 -0.00 0.00 0.00 177.43 177.89 2gta h HIS 47 N -0.91 0.00 0.00 0.67 2.76 -0.26 -3.00 115.15 114.41 2gta h HIS 47 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2gta h HIS 47 Cb 1.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2gta h HIS 47 CO 0.23 0.00 -0.16 -2.13 -1.30 0.00 0.00 177.93 174.57 2gta n ARG 48 N -2.85 5.61 0.00 5.26 0.63 0.25 -5.06 116.66 120.50 2gta n ARG 48 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2gta n ARG 48 Cb 0.08 -0.56 0.00 0.00 0.45 0.00 0.00 32.46 32.43 2gta n ARG 48 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2gta n TYR 49 N -1.03 0.00 0.00 -0.14 4.01 -0.75 -5.05 117.16 114.20 2gta n TYR 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2gta n TYR 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2gta n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2gta n SER 62 N -0.31 -0.95 0.00 7.72 3.41 -1.26 -4.84 113.62 117.39 2gta n SER 62 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2gta n SER 62 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2gta n SER 62 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gta n GLU 64 N -0.95 0.00 -0.04 4.33 -0.58 -1.26 -1.84 120.64 120.30 2gta n GLU 64 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2gta n GLU 64 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 2gta n GLU 64 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2gta h GLU 65 N 0.00 -0.04 0.00 3.49 9.09 -2.06 -2.23 114.58 122.83 2gta h GLU 65 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2gta h GLU 65 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 2gta h GLU 65 CO 0.00 0.64 0.00 0.93 0.05 0.00 0.00 179.01 180.63 2gta h GLU 66 N -0.91 0.00 0.02 1.06 4.39 -1.77 -1.51 114.58 115.86 2gta h GLU 66 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2gta h GLU 66 Cb 0.70 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 2gta h GLU 66 CO 0.01 0.00 -1.71 0.82 -1.16 0.00 0.00 179.01 176.96 2gta h ILE 67 N 0.00 0.86 -0.28 3.13 2.04 -1.82 -3.29 117.51 118.15 2gta h ILE 67 Ca 0.00 -2.68 -0.08 0.00 1.00 0.00 0.00 64.86 63.09 2gta h ILE 67 Cb 0.25 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2gta h ILE 67 CO 0.00 0.57 -0.18 1.23 0.00 0.00 0.00 178.15 179.77 2gta h GLY 68 N 3.11 0.54 0.91 5.37 0.00 -0.71 -2.18 103.07 110.11 2gta h GLY 68 Ca -0.29 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2gta h GLY 68 CO 0.08 0.37 0.10 -0.55 0.00 0.00 0.00 176.54 176.55 2gta h ASP 69 N 0.45 0.42 0.23 0.19 3.32 -1.40 0.33 116.42 119.95 2gta h ASP 69 Ca 0.08 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2gta h ASP 69 Cb 0.57 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2gta h ASP 69 CO 0.04 0.50 -0.25 0.58 -1.72 0.00 0.00 179.24 178.38 2gta h VAL 70 N 0.32 1.20 -0.02 -1.35 2.07 -1.59 -1.59 116.25 115.29 2gta h VAL 70 Ca 0.10 -0.93 -0.24 0.00 0.82 0.00 0.00 66.70 66.44 2gta h VAL 70 Cb 0.22 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2gta h VAL 70 CO -0.01 0.27 -0.97 0.25 0.02 0.00 0.00 177.57 177.14 2gta h LEU 71 N 0.05 0.76 0.76 2.57 7.12 -0.96 -2.23 115.31 123.37 2gta h LEU 71 Ca 0.01 -0.59 -0.04 0.00 0.13 0.00 0.00 57.88 57.39 2gta h LEU 71 Cb 0.48 -0.23 0.01 0.00 -0.53 0.00 0.00 40.66 40.39 2gta h LEU 71 CO 0.03 1.39 -0.36 0.15 -0.13 0.00 0.00 178.44 179.52 2gta h PHE 72 N 0.34 -0.94 -0.71 1.25 3.57 0.34 -1.29 116.94 119.51 2gta h PHE 72 Ca -0.10 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.52 2gta h PHE 72 Cb 1.61 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 40.57 2gta h PHE 72 CO 0.08 -0.59 0.23 0.28 -2.23 0.00 0.00 178.31 176.08 2gta h VAL 73 N -1.05 0.62 -0.99 1.41 2.07 -1.43 0.73 116.25 117.62 2gta h VAL 73 Ca -0.10 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2gta h VAL 73 Cb 0.78 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 2gta h VAL 73 CO 0.17 0.07 0.64 0.25 0.02 0.00 0.00 177.57 178.72 2gta h LEU 74 N 0.36 1.02 -0.46 2.57 5.85 -1.29 -0.51 115.31 122.86 2gta h LEU 74 Ca 0.39 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 59.03 2gta h LEU 74 Cb 0.60 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2gta h LEU 74 CO -0.43 0.65 -0.06 0.58 -0.34 0.00 0.00 178.44 178.84 2gta h VAL 75 N 1.16 1.27 -0.16 1.05 2.07 0.30 -2.50 116.25 119.44 2gta h VAL 75 Ca 0.42 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2gta h VAL 75 Cb 0.16 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2gta h VAL 75 CO -0.17 0.40 -0.08 0.00 0.02 0.00 0.00 177.57 177.75 2gta h LEU 77 N -0.06 0.06 -0.10 0.00 5.85 -1.05 0.11 115.31 120.13 2gta h LEU 77 Ca 0.09 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2gta h LEU 77 Cb 0.19 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2gta h LEU 77 CO -0.20 0.06 0.06 0.00 -0.34 0.00 0.00 178.44 178.02 2gta h ALA 78 N 1.34 0.12 -0.64 1.25 0.00 -0.91 -2.50 119.26 117.92 2gta h ALA 78 Ca 0.22 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2gta h ALA 78 Cb 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2gta h ALA 78 CO -0.27 -0.39 0.35 -0.91 0.00 0.00 0.00 179.25 178.02 2gta h ASN 79 N 0.12 0.51 0.44 0.00 2.35 0.01 -0.25 115.58 118.77 2gta h ASN 79 Ca 0.04 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2gta h ASN 79 Cb -0.01 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2gta h ASN 79 CO -0.01 0.33 0.00 -1.54 -1.65 0.00 0.00 177.43 174.56 2gta n SER 80 N -4.81 0.52 -0.06 5.81 3.41 -0.04 -2.24 113.62 116.22 2gta n SER 80 Ca 0.08 0.67 0.05 0.00 -0.26 0.00 0.00 58.87 59.41 2gta n SER 80 Cb 0.17 -0.76 0.08 0.00 -0.26 0.00 0.00 64.21 63.44 2gta n SER 80 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gta n LEU 81 N -2.12 2.06 -2.48 1.04 4.77 -0.38 -5.00 117.00 114.91 2gta n LEU 81 Ca 0.01 -2.51 -0.17 0.00 -0.03 0.00 0.00 56.01 53.32 2gta n LEU 81 Cb 0.15 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2gta n LEU 81 CO 0.15 0.59 -0.19 0.47 -1.33 0.00 0.00 177.39 177.08 2gta n ASP 82 N -0.98 -4.87 -4.72 -1.43 8.00 -0.25 -4.94 116.55 107.35 2gta n ASP 82 Ca 0.09 0.06 -0.38 0.00 0.71 0.00 0.00 54.79 55.27 2gta n ASP 82 Cb 0.49 -4.08 -0.06 0.00 -0.02 0.00 0.00 41.12 37.45 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 5.15 -0.19 0.53 -1.09 -0.44 -5.02 121.20 117.29 2gta s ILE 83 Ca 0.03 1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 59.30 2gta s ILE 83 Cb -0.01 -3.87 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 2gta s ILE 83 CO 0.03 0.32 0.64 -0.55 -1.23 0.00 0.00 174.94 174.15 2gta s SER 84 N 0.60 6.70 0.39 3.58 0.15 -1.26 -4.44 113.70 119.42 2gta s SER 84 Ca 0.28 0.86 0.10 0.00 0.70 0.00 0.00 55.95 57.89 2gta s SER 84 Cb -0.16 -2.35 0.78 0.00 -1.71 0.00 0.00 66.02 62.57 2gta s SER 84 CO 0.12 -0.27 1.90 -0.07 1.20 0.00 0.00 173.24 176.11 2gta h LEU 85 N 8.16 0.17 0.19 3.45 4.07 -1.96 -1.58 115.31 127.81 2gta h LEU 85 Ca -0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 2gta h LEU 85 Cb 1.14 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.84 2gta h LEU 85 CO 0.78 0.38 -0.09 -0.08 -1.08 0.00 0.00 178.44 178.34 2gta h GLU 86 N 0.17 -0.25 -0.76 1.13 4.81 -1.98 0.43 114.58 118.13 2gta h GLU 86 Ca 0.03 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2gta h GLU 86 Cb 0.44 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2gta h GLU 86 CO 0.03 -0.05 0.45 0.93 -0.73 0.00 0.00 179.01 179.64 2gta h GLU 87 N -0.41 1.03 -0.05 1.92 5.08 -1.95 -0.73 114.58 119.47 2gta h GLU 87 Ca -0.03 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2gta h GLU 87 Cb 0.32 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2gta h GLU 87 CO 0.04 0.73 0.02 0.00 -1.00 0.00 0.00 179.01 178.80 2gta h ALA 88 N 1.45 0.06 0.00 3.43 0.00 -0.85 -0.47 119.26 122.89 2gta h ALA 88 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2gta h ALA 88 Cb -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2gta h ALA 88 CO -0.05 -0.37 -0.05 1.25 0.00 0.00 0.00 179.25 180.03 2gta h HIS 89 N -0.06 0.00 0.18 0.00 -0.00 0.32 -1.11 115.15 114.48 2gta h HIS 89 Ca 0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.12 2gta h HIS 89 Cb 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2gta h HIS 89 CO -0.03 0.05 -1.15 -0.44 -0.00 0.00 0.00 177.93 176.37 2gta h ASP 90 N 0.00 0.70 -0.79 3.26 5.19 -0.62 -3.28 116.42 120.88 2gta h ASP 90 Ca -0.00 -0.91 -0.02 0.00 -0.62 0.00 0.00 57.03 55.48 2gta h ASP 90 Cb 0.12 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 2gta h ASP 90 CO 0.01 1.55 0.42 0.03 -3.12 0.00 0.00 179.24 178.13 2gta h ARG 91 N -0.03 1.12 -1.32 3.56 3.08 -0.58 0.20 114.38 120.40 2gta h ARG 91 Ca -0.19 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2gta h ARG 91 Cb 1.88 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.72 2gta h ARG 91 CO 0.22 0.84 0.00 0.28 -1.07 0.00 0.00 179.97 180.23 2gta n VAL 92 N -4.40 0.45 0.00 2.04 0.31 -0.47 -1.92 118.33 114.34 2gta n VAL 92 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2gta n VAL 92 Cb 0.11 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 2gta n VAL 92 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2gta n HIS 94 N 0.65 0.00 -0.07 3.52 -0.00 0.71 -2.99 115.22 117.04 2gta n HIS 94 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2gta n HIS 94 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.23 2gta n HIS 94 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2gta h LYS 95 N 0.00 0.14 -0.93 1.57 1.57 -1.62 0.16 116.57 117.46 2gta h LYS 95 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2gta h LYS 95 Cb 0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2gta h LYS 95 CO 0.00 0.09 0.58 0.74 -0.57 0.00 0.00 179.45 180.30 2gta h PHE 96 N 0.14 1.21 0.34 -1.35 0.04 -1.83 -3.22 116.94 112.27 2gta h PHE 96 Ca 0.13 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 2gta h PHE 96 Cb 0.15 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 37.90 2gta h PHE 96 CO -0.18 0.79 -0.16 -0.91 -0.60 0.00 0.00 178.31 177.25 2gta h ASN 97 N 1.28 -0.39 -1.64 2.17 4.21 -1.70 -3.40 115.58 116.11 2gta h ASN 97 Ca 0.34 0.01 -0.46 0.00 1.21 0.00 0.00 56.30 57.40 2gta h ASN 97 Cb -0.09 0.10 0.01 0.00 -1.12 0.00 0.00 38.32 37.22 2gta h ASN 97 CO -0.07 -0.12 1.62 0.42 -1.29 0.00 0.00 177.43 177.99 2gta s THR 98 N -3.20 3.02 0.00 2.81 -4.23 0.51 -5.10 115.64 109.44 2gta s THR 98 Ca -0.07 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2gta s THR 98 Cb 0.01 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2gta s THR 98 CO 0.20 -0.05 0.00 -1.14 -0.54 0.00 0.00 174.62 173.09