#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gol n VAL 7 N 0.00 1.48 -5.09 2.46 0.31 -1.26 -4.87 118.33 111.37 2gol n VAL 7 Ca 0.00 -0.45 -0.32 0.00 -0.01 0.00 0.00 64.34 63.56 2gol n VAL 7 Cb 0.00 -1.68 -0.15 0.00 -0.91 0.00 0.00 33.84 31.10 2gol n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2gol s LEU 8 N -7.07 2.37 0.70 7.52 1.43 -1.26 -4.75 118.68 117.62 2gol s LEU 8 Ca -0.37 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 2gol s LEU 8 Cb 0.12 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.90 2gol s LEU 8 CO 0.52 0.29 1.07 -0.94 0.23 0.00 0.00 176.35 177.52 2gol s SER 9 N -0.43 5.22 0.45 2.29 1.04 -1.26 -4.74 113.70 116.27 2gol s SER 9 Ca 0.05 1.68 0.26 0.00 0.48 0.00 0.00 55.95 58.41 2gol s SER 9 Cb -0.12 -2.50 1.29 0.00 0.10 0.00 0.00 66.02 64.79 2gol s SER 9 CO 0.02 -1.55 1.76 1.23 0.98 0.00 0.00 173.24 175.67 2gol h GLY 10 N -0.72 0.85 0.23 7.32 0.00 -2.00 0.60 103.07 109.35 2gol h GLY 10 Ca -0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 2gol h GLY 10 CO 0.56 -0.13 -0.02 -1.33 0.00 0.00 0.00 176.54 175.61 2gol h GLY 11 N 0.23 -0.07 -0.16 4.60 0.00 -2.01 -3.05 103.07 102.62 2gol h GLY 11 Ca 0.62 0.03 0.20 0.00 0.00 0.00 0.00 47.33 48.18 2gol h GLY 11 CO -0.23 -0.03 0.32 0.83 0.00 0.00 0.00 176.54 177.44 2gol h GLU 12 N -0.84 0.35 -0.97 4.80 5.08 -1.78 -2.22 114.58 119.00 2gol h GLU 12 Ca -0.01 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2gol h GLU 12 Cb 0.66 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 2gol h GLU 12 CO 0.01 0.23 0.63 1.25 -1.00 0.00 0.00 179.01 180.13 2gol h LEU 13 N 0.36 1.01 -0.54 1.33 7.12 -0.86 0.36 115.31 124.09 2gol h LEU 13 Ca 0.51 0.01 -0.16 0.00 0.13 0.00 0.00 57.88 58.36 2gol h LEU 13 Cb 0.93 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 2gol h LEU 13 CO -0.52 0.66 -0.63 0.44 -0.13 0.00 0.00 178.44 178.25 2gol h ASP 14 N 1.16 0.43 0.63 1.25 5.19 -1.30 -1.58 116.42 122.19 2gol h ASP 14 Ca 0.41 -0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2gol h ASP 14 Cb 0.13 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2gol h ASP 14 CO -0.16 0.95 -0.32 0.11 -3.12 0.00 0.00 179.24 176.70 2gol h LYS 15 N 0.28 -0.83 -0.76 3.56 1.57 -0.96 -3.10 116.57 116.32 2gol h LYS 15 Ca -0.01 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.01 2gol h LYS 15 Cb 1.17 0.19 -0.14 0.00 0.08 0.00 0.00 32.23 33.52 2gol h LYS 15 CO 0.11 -0.55 -0.08 1.87 -0.57 0.00 0.00 179.45 180.22 2gol n TRP 16 N -4.37 0.39 0.69 -1.35 -0.00 0.05 -0.60 117.44 112.25 2gol n TRP 16 Ca -0.11 0.93 0.13 0.00 -0.00 0.00 0.00 57.50 58.45 2gol n TRP 16 Cb 0.34 -1.01 0.46 0.00 -0.00 0.00 0.00 31.31 31.10 2gol n TRP 16 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2gol n GLU 17 N -5.15 0.20 0.12 5.87 1.02 -0.60 -2.50 120.64 119.59 2gol n GLU 17 Ca 0.15 0.18 -0.02 0.00 -0.02 0.00 0.00 57.16 57.45 2gol n GLU 17 Cb 0.49 -1.74 0.08 0.00 -0.02 0.00 0.00 31.44 30.25 2gol n GLU 17 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2gol h LYS 18 N 0.00 0.00 -6.76 3.49 6.56 -0.78 -3.42 116.57 115.66 2gol h LYS 18 Ca 0.00 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 59.08 2gol h LYS 18 Cb 0.66 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.33 2gol h LYS 18 CO 0.00 0.72 0.48 0.42 -2.06 0.00 0.00 179.45 179.01 2gol s ILE 19 N -3.29 3.59 -0.10 1.86 1.01 -1.04 -4.89 121.20 118.33 2gol s ILE 19 Ca -0.00 1.52 -0.08 0.00 0.00 0.00 0.00 60.65 62.09 2gol s ILE 19 Cb 0.11 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2gol s ILE 19 CO 0.78 0.33 0.18 -0.13 0.00 0.00 0.00 174.94 176.10 2gol s ARG 20 N -1.10 3.53 0.20 2.79 0.52 0.20 0.64 118.95 125.72 2gol s ARG 20 Ca 0.46 -0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.51 2gol s ARG 20 Cb -0.31 -3.20 0.21 0.00 0.52 0.00 0.00 34.95 32.17 2gol s ARG 20 CO 0.39 0.75 1.79 -0.07 0.02 0.00 0.00 175.30 178.19 2gol h LEU 21 N 4.99 0.44 -9.07 2.53 3.38 -1.65 -0.79 115.31 115.15 2gol h LEU 21 Ca -0.54 0.04 -0.65 0.00 0.09 0.00 0.00 57.88 56.81 2gol h LEU 21 Cb 1.23 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.75 2gol h LEU 21 CO 0.59 0.29 -0.81 -0.13 0.09 0.00 0.00 178.44 178.46 2gol s ARG 22 N -6.11 1.58 0.23 1.13 3.00 -1.26 -3.61 118.95 113.92 2gol s ARG 22 Ca -0.13 -1.48 -0.31 0.00 0.00 0.00 0.00 55.73 53.80 2gol s ARG 22 Cb 0.15 -1.89 -0.13 0.00 0.00 0.00 0.00 34.95 33.09 2gol s ARG 22 CO 0.75 0.41 1.50 -2.30 0.00 0.00 0.00 175.30 175.66 2gol n PRO 23 N 0.27 2.25 -0.85 3.54 -0.02 -1.26 -1.76 135.00 137.17 2gol n PRO 23 Ca -0.13 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2gol n PRO 23 Cb 0.56 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2gol n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gol n GLY 24 N 2.50 0.00 3.84 -1.23 0.00 -1.26 -4.95 105.19 104.09 2gol n GLY 24 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2gol n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gol s GLY 25 N -1.89 1.61 -0.16 -0.02 0.00 -0.72 -5.03 107.32 101.10 2gol s GLY 25 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.08 2gol s GLY 25 CO 0.00 0.05 0.50 0.07 0.00 0.00 0.00 173.10 173.73 2gol h LYS 26 N -1.05 0.00 -6.31 2.90 2.10 -1.92 -3.47 116.57 108.81 2gol h LYS 26 Ca -0.47 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.52 2gol h LYS 26 Cb 1.29 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.66 2gol h LYS 26 CO 0.62 0.91 0.70 1.63 -2.00 0.00 0.00 179.45 181.32 2gol n LYS 27 N -4.56 1.53 -4.35 0.07 4.76 -1.26 -4.95 118.16 109.40 2gol n LYS 27 Ca -0.17 0.56 -0.24 0.00 -2.87 0.00 0.00 58.31 55.59 2gol n LYS 27 Cb 0.52 -2.26 -0.08 0.00 -1.84 0.00 0.00 35.03 31.36 2gol n LYS 27 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2gol s GLN 28 N 1.57 2.08 0.10 1.97 -0.21 -1.26 -1.73 119.66 122.18 2gol s GLN 28 Ca 0.86 -1.61 -0.31 0.00 0.02 0.00 0.00 55.36 54.33 2gol s GLN 28 Cb -0.87 -1.99 -0.09 0.00 1.00 0.00 0.00 33.01 31.05 2gol s GLN 28 CO 0.48 0.28 1.68 0.71 -2.12 0.00 0.00 175.29 176.33 2gol s TYR 29 N -2.43 2.49 0.49 0.91 2.02 0.21 -4.81 117.35 116.22 2gol s TYR 29 Ca 0.32 0.29 0.07 0.00 -0.37 0.00 0.00 57.07 57.39 2gol s TYR 29 Cb -0.04 -4.02 0.02 0.00 -0.40 0.00 0.00 41.96 37.52 2gol s TYR 29 CO 0.19 -4.05 0.45 0.15 -1.57 0.00 0.00 175.55 170.72 2gol s LYS 30 N 2.34 2.40 0.31 -0.62 -0.14 -1.26 -3.90 119.74 118.87 2gol s LYS 30 Ca 0.75 -1.73 0.04 0.00 -1.36 0.00 0.00 55.97 53.67 2gol s LYS 30 Cb -0.42 -2.32 0.51 0.00 -1.68 0.00 0.00 37.83 33.92 2gol s LYS 30 CO 0.33 -0.45 1.79 -0.07 -0.76 0.00 0.00 175.35 176.19 2gol h LEU 31 N 0.80 0.44 -1.36 3.17 3.38 -1.97 -2.42 115.31 117.35 2gol h LEU 31 Ca -0.38 -0.12 0.31 0.00 0.09 0.00 0.00 57.88 57.77 2gol h LEU 31 Cb 1.28 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 2gol h LEU 31 CO 0.55 0.64 0.71 0.07 0.09 0.00 0.00 178.44 180.49 2gol h LYS 32 N 0.41 0.31 0.00 1.13 2.10 -1.99 -0.97 116.57 117.56 2gol h LYS 32 Ca 0.07 -0.02 -0.12 0.00 -2.00 0.00 0.00 60.65 58.59 2gol h LYS 32 Cb 0.55 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 2gol h LYS 32 CO 0.04 0.20 -0.55 0.45 -2.00 0.00 0.00 179.45 177.59 2gol h HIS 33 N 0.32 0.00 -0.12 0.07 3.86 -1.84 -0.67 115.15 116.77 2gol h HIS 33 Ca 0.65 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.81 2gol h HIS 33 Cb 1.77 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.23 2gol h HIS 33 CO -0.00 0.55 -0.11 0.82 0.86 0.00 0.00 177.93 180.04 2gol h ILE 34 N 0.00 1.35 -0.58 2.45 1.08 -1.30 -1.57 117.51 118.95 2gol h ILE 34 Ca -0.01 -1.26 0.01 0.00 -0.39 0.00 0.00 64.86 63.22 2gol h ILE 34 Cb 1.02 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.65 2gol h ILE 34 CO 0.07 0.36 0.38 0.58 -0.69 0.00 0.00 178.15 178.85 2gol h VAL 35 N -0.10 1.13 -0.44 1.67 2.07 -1.39 -0.90 116.25 118.29 2gol h VAL 35 Ca 0.02 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 2gol h VAL 35 Cb 0.63 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2gol h VAL 35 CO 0.03 0.14 0.08 -0.25 0.02 0.00 0.00 177.57 177.59 2gol h TRP 36 N 0.76 0.77 -0.43 1.57 7.01 -1.12 -1.77 115.95 122.75 2gol h TRP 36 Ca 0.22 -0.10 -0.06 0.00 2.11 0.00 0.00 58.89 61.05 2gol h TRP 36 Cb -0.07 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.76 2gol h TRP 36 CO -0.04 0.73 0.01 0.00 -2.79 0.00 0.00 178.44 176.34 2gol h ALA 37 N 0.95 1.22 -0.15 2.65 0.00 -0.95 -1.13 119.26 121.85 2gol h ALA 37 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2gol h ALA 37 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2gol h ALA 37 CO 0.01 0.52 0.02 0.77 0.00 0.00 0.00 179.25 180.57 2gol h SER 38 N 0.65 0.24 -0.94 0.00 0.02 -0.74 -1.77 113.55 111.01 2gol h SER 38 Ca 0.13 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2gol h SER 38 Cb 0.39 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 2gol h SER 38 CO 0.01 0.44 0.61 0.03 -1.14 0.00 0.00 176.83 176.79 2gol h ARG 39 N 0.02 1.07 -0.22 3.45 3.08 -1.25 -2.09 114.38 118.44 2gol h ARG 39 Ca 0.04 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2gol h ARG 39 Cb 0.31 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2gol h ARG 39 CO 0.00 0.71 -0.11 0.93 -1.07 0.00 0.00 179.97 180.43 2gol h GLU 40 N 1.10 0.46 -0.47 0.04 4.39 -1.03 -2.20 114.58 116.86 2gol h GLU 40 Ca 0.40 -0.20 0.07 0.00 0.34 0.00 0.00 59.36 59.97 2gol h GLU 40 Cb 0.15 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 2gol h GLU 40 CO -0.15 0.74 0.12 -0.07 -1.16 0.00 0.00 179.01 178.50 2gol h LEU 41 N 0.17 0.07 -0.73 1.33 3.38 -1.14 -2.76 115.31 115.62 2gol h LEU 41 Ca 0.05 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2gol h LEU 41 Cb 0.61 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2gol h LEU 41 CO 0.03 0.07 0.45 -0.33 0.09 0.00 0.00 178.44 178.75 2gol h GLU 42 N 0.27 0.83 -0.99 1.13 5.08 -1.16 0.23 114.58 119.97 2gol h GLU 42 Ca 0.23 -0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.74 2gol h GLU 42 Cb 0.28 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 2gol h GLU 42 CO -0.28 0.55 0.62 0.00 -1.00 0.00 0.00 179.01 178.90 2gol h ARG 43 N 0.86 0.64 -0.49 2.33 3.08 -1.12 0.35 114.38 120.03 2gol h ARG 43 Ca 0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2gol h ARG 43 Cb 0.08 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2gol h ARG 43 CO -0.14 0.42 0.00 1.19 -1.07 0.00 0.00 179.97 180.38 2gol n PHE 44 N -4.71 0.61 -3.22 3.04 3.01 -0.78 -4.90 117.46 110.52 2gol n PHE 44 Ca 0.23 -0.26 -0.23 0.00 1.01 0.00 0.00 57.45 58.20 2gol n PHE 44 Cb 0.63 -0.09 0.05 0.00 -0.01 0.00 0.00 39.48 40.06 2gol n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gol n ALA 45 N 0.44 -1.08 -2.71 4.37 0.00 0.12 -5.00 120.51 116.66 2gol n ALA 45 Ca 0.12 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.54 2gol n ALA 45 Cb 0.41 -4.33 -0.13 0.00 0.00 0.00 0.00 19.45 15.40 2gol n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gol s VAL 46 N -3.22 3.41 -0.20 0.00 1.01 0.74 -4.98 120.40 117.16 2gol s VAL 46 Ca 0.40 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 2gol s VAL 46 Cb -0.18 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2gol s VAL 46 CO 0.49 0.57 1.62 0.21 0.00 0.00 0.00 175.10 177.99 2gol s ASN 47 N -0.38 6.41 0.23 3.32 2.47 -1.26 -2.70 114.94 123.03 2gol s ASN 47 Ca 0.05 1.69 0.22 0.00 0.42 0.00 0.00 52.86 55.24 2gol s ASN 47 Cb -0.12 -2.53 0.94 0.00 -1.45 0.00 0.00 41.25 38.09 2gol s ASN 47 CO 0.02 -1.22 1.66 -0.81 -3.72 0.00 0.00 177.10 173.03 2gol n PRO 48 N 7.60 0.16 0.27 0.43 -0.04 -1.26 -1.87 135.00 140.29 2gol n PRO 48 Ca 0.19 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 2gol n PRO 48 Cb 0.45 -1.83 0.76 0.00 -0.04 0.00 0.00 33.50 32.84 2gol n PRO 48 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2gol h GLY 49 N 1.96 0.00 1.77 0.55 0.00 -1.97 -0.02 103.07 105.36 2gol h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gol h GLY 49 CO 0.00 0.00 0.11 1.41 0.00 0.00 0.00 176.54 178.06 2gol h LEU 50 N 0.00 0.00 0.00 3.11 3.38 -1.74 -1.86 115.31 118.20 2gol h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gol h LEU 50 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gol h LEU 50 CO 0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.72 2gol n LEU 51 N -2.90 0.00 0.15 1.67 4.77 -0.02 -1.88 117.00 118.79 2gol n LEU 51 Ca -0.02 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 2gol n LEU 51 Cb 0.17 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2gol n LEU 51 CO 0.16 -0.18 0.44 -0.33 -1.33 0.00 0.00 177.39 176.15 2gol h GLU 52 N 0.00 0.00 -5.02 3.23 5.08 -1.53 -3.45 114.58 112.89 2gol h GLU 52 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2gol h GLU 52 Cb 0.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.33 2gol h GLU 52 CO 0.00 0.00 -0.67 0.95 -1.00 0.00 0.00 179.01 178.29 2gol s THR 53 N -3.26 0.97 0.13 1.13 -4.23 -1.21 -4.97 115.64 104.20 2gol s THR 53 Ca 0.04 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.34 2gol s THR 53 Cb 0.08 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 2gol s THR 53 CO 0.72 -0.42 1.79 0.28 -0.54 0.00 0.00 174.62 176.45 2gol h SER 54 N 2.57 0.30 -0.79 3.99 0.02 -1.89 -0.90 113.55 116.85 2gol h SER 54 Ca -0.38 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 2gol h SER 54 Cb 1.21 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 2gol h SER 54 CO 0.64 0.22 0.43 -0.08 -1.14 0.00 0.00 176.83 176.90 2gol h GLU 55 N 0.35 1.11 0.35 3.45 4.81 -1.96 0.13 114.58 122.83 2gol h GLU 55 Ca 0.10 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2gol h GLU 55 Cb -0.04 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.13 2gol h GLU 55 CO -0.02 0.82 -0.17 0.78 -0.73 0.00 0.00 179.01 179.69 2gol h GLY 56 N 1.15 -0.50 -0.49 1.92 0.00 -1.55 -0.33 103.07 103.28 2gol h GLY 56 Ca 0.28 0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.92 2gol h GLY 56 CO -0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 176.54 176.03 2gol h ARG 58 N -0.09 -0.01 -0.72 0.00 2.43 -0.69 -0.46 114.38 114.84 2gol h ARG 58 Ca 0.29 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.58 2gol h ARG 58 Cb 0.55 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.97 2gol h ARG 58 CO -0.74 -0.01 -0.32 0.37 -1.51 0.00 0.00 179.97 177.77 2gol h GLN 59 N -0.01 -0.09 -0.34 0.20 4.15 -0.31 -1.77 115.11 116.95 2gol h GLN 59 Ca 0.13 0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.39 2gol h GLN 59 Cb 0.20 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2gol h GLN 59 CO -0.27 -0.06 -0.43 0.82 -1.93 0.00 0.00 178.83 176.95 2gol h ILE 60 N -0.10 1.28 -0.29 2.39 2.04 -0.45 -2.02 117.51 120.37 2gol h ILE 60 Ca 0.28 -1.61 0.07 0.00 1.00 0.00 0.00 64.86 64.60 2gol h ILE 60 Cb 0.57 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 2gol h ILE 60 CO -0.77 0.53 -0.19 -0.07 0.00 0.00 0.00 178.15 177.65 2gol h LEU 61 N 0.69 -0.62 -1.59 1.44 3.38 -0.82 0.84 115.31 118.64 2gol h LEU 61 Ca 0.05 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.27 2gol h LEU 61 Cb 1.02 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 2gol h LEU 61 CO 0.10 -0.22 0.46 1.23 0.09 0.00 0.00 178.44 180.10 2gol h GLY 62 N -0.16 0.68 1.42 0.83 0.00 -1.17 -1.62 103.07 103.04 2gol h GLY 62 Ca 0.15 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 47.09 2gol h GLY 62 CO -0.39 0.09 -0.82 1.46 0.00 0.00 0.00 176.54 176.88 2gol h GLN 63 N 0.44 0.56 0.00 4.80 4.20 -0.30 -3.32 115.11 121.49 2gol h GLN 63 Ca 0.33 -0.50 -0.18 0.00 0.06 0.00 0.00 58.65 58.36 2gol h GLN 63 Cb 0.68 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 2gol h GLN 63 CO -0.10 1.12 -0.86 -0.07 -0.67 0.00 0.00 178.83 178.25 2gol h LEU 64 N 0.36 0.00 -0.42 1.46 3.38 -0.47 -3.37 115.31 116.26 2gol h LEU 64 Ca -0.06 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2gol h LEU 64 Cb 1.44 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.09 2gol h LEU 64 CO 0.15 0.85 -0.31 -0.61 0.09 0.00 0.00 178.44 178.62 2gol h GLN 65 N 0.00 -0.22 -1.03 1.13 4.15 -1.40 -1.78 115.11 115.96 2gol h GLN 65 Ca -0.01 0.02 0.26 0.00 0.77 0.00 0.00 58.65 59.69 2gol h GLN 65 Cb 1.66 0.05 -0.11 0.00 0.21 0.00 0.00 27.48 29.28 2gol h GLN 65 CO 0.11 -0.15 0.63 -1.35 -1.93 0.00 0.00 178.83 176.14 2gol h PRO 66 N -0.23 0.47 0.00 -2.39 0.11 -1.77 -0.68 132.00 127.52 2gol h PRO 66 Ca 0.18 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 2gol h PRO 66 Cb 0.53 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2gol h PRO 66 CO -0.55 0.31 -0.30 1.03 -0.21 0.00 0.00 178.00 178.29 2gol h SER 67 N 0.49 0.00 1.41 -2.05 0.87 -1.56 -2.45 113.55 110.26 2gol h SER 67 Ca 0.63 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 61.12 2gol h SER 67 Cb 1.39 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 2gol h SER 67 CO -0.41 0.30 -0.35 -0.07 -0.53 0.00 0.00 176.83 175.78 2gol h LEU 68 N 0.00 0.00 -0.22 2.23 3.38 -1.06 -2.18 115.31 117.46 2gol h LEU 68 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gol h LEU 68 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2gol h LEU 68 CO 0.04 0.35 0.00 1.56 0.09 0.00 0.00 178.44 180.48 2gol h GLN 69 N 0.00 0.00 0.00 1.13 4.20 -1.24 -3.41 115.11 115.79 2gol h GLN 69 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gol h GLN 69 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2gol h GLN 69 CO 0.05 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.46 2gol n THR 70 N -2.40 0.00 -1.12 -0.54 -2.24 -0.82 -4.91 114.28 102.24 2gol n THR 70 Ca 0.04 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.86 2gol n THR 70 Cb 0.39 -1.02 0.24 0.00 -2.10 0.00 0.00 70.33 67.85 2gol n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gol n GLY 71 N 2.56 4.26 3.77 3.38 0.00 -1.26 -5.01 105.19 112.89 2gol n GLY 71 Ca 0.00 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 2gol n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gol s SER 72 N -2.03 5.64 -0.08 1.61 0.15 -1.26 -4.93 113.70 112.81 2gol s SER 72 Ca 0.44 2.22 0.11 0.00 0.70 0.00 0.00 55.95 59.42 2gol s SER 72 Cb 0.37 -2.58 0.17 0.00 -1.71 0.00 0.00 66.02 62.27 2gol s SER 72 CO 0.07 -1.27 1.07 -0.62 1.20 0.00 0.00 173.24 173.68 2gol n GLU 73 N -1.33 1.52 0.08 5.44 -0.58 -1.26 -4.62 120.64 119.89 2gol n GLU 73 Ca 0.12 -2.05 0.04 0.00 -0.42 0.00 0.00 57.16 54.84 2gol n GLU 73 Cb 0.51 -1.23 0.45 0.00 -0.57 0.00 0.00 31.44 30.60 2gol n GLU 73 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2gol h GLU 74 N 0.00 0.35 -0.36 3.49 4.81 -1.92 -2.61 114.58 118.34 2gol h GLU 74 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2gol h GLU 74 Cb 0.92 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2gol h GLU 74 CO 0.00 0.31 0.00 1.28 -0.73 0.00 0.00 179.01 179.87 2gol n LEU 75 N -4.42 3.28 0.18 1.64 4.32 -1.26 -4.71 117.00 116.03 2gol n LEU 75 Ca 0.01 -2.24 -0.14 0.00 -0.02 0.00 0.00 56.01 53.62 2gol n LEU 75 Cb 0.14 -0.33 -0.08 0.00 -1.62 0.00 0.00 43.42 41.53 2gol n LEU 75 CO 0.36 0.74 0.65 -0.09 -1.22 0.00 0.00 177.39 177.82 2gol h ARG 76 N 2.20 -0.42 -0.67 3.23 9.65 -1.78 -0.48 114.38 126.12 2gol h ARG 76 Ca 0.00 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2gol h ARG 76 Cb 0.93 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.58 2gol h ARG 76 CO 0.06 -0.16 0.30 0.66 2.80 0.00 0.00 179.97 183.62 2gol h SER 77 N -0.62 0.87 0.17 -3.80 4.64 -1.84 -1.14 113.55 111.82 2gol h SER 77 Ca -0.04 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2gol h SER 77 Cb 0.45 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2gol h SER 77 CO 0.07 0.75 -0.14 0.25 -0.87 0.00 0.00 176.83 176.89 2gol h LEU 78 N 0.95 -0.37 -0.99 5.97 5.85 -1.88 0.59 115.31 125.43 2gol h LEU 78 Ca 0.23 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.10 2gol h LEU 78 Cb 0.13 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 2gol h LEU 78 CO -0.03 -0.22 0.62 0.22 -0.34 0.00 0.00 178.44 178.69 2gol h TYR 79 N -0.33 1.12 -0.12 1.25 5.03 -0.83 -0.31 116.97 122.78 2gol h TYR 79 Ca -0.00 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 2gol h TYR 79 Cb 0.30 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 2gol h TYR 79 CO -0.12 0.45 -0.20 -0.91 -1.32 0.00 0.00 178.16 176.06 2gol h ASN 80 N 0.98 0.39 -0.87 -2.11 2.35 0.17 -0.52 115.58 115.98 2gol h ASN 80 Ca 0.49 -0.54 0.06 0.00 -0.55 0.00 0.00 56.30 55.76 2gol h ASN 80 Cb 0.47 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.67 2gol h ASN 80 CO -0.26 0.85 0.55 0.74 -1.65 0.00 0.00 177.43 177.66 2gol h THR 81 N -0.05 1.07 0.00 2.81 2.02 0.66 -2.64 112.91 116.77 2gol h THR 81 Ca 0.01 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 2gol h THR 81 Cb 0.77 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2gol h THR 81 CO 0.05 0.19 -0.42 0.40 0.37 0.00 0.00 175.52 176.10 2gol h ILE 82 N 1.01 0.84 -0.31 3.11 2.04 -0.94 -2.25 117.51 121.01 2gol h ILE 82 Ca 0.37 -1.79 -0.17 0.00 1.00 0.00 0.00 64.86 64.27 2gol h ILE 82 Cb 0.14 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2gol h ILE 82 CO -0.16 0.41 -0.49 0.00 0.00 0.00 0.00 178.15 177.91 2gol h ALA 83 N 1.58 0.48 0.88 1.87 0.00 -0.78 -1.17 119.26 122.12 2gol h ALA 83 Ca -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2gol h ALA 83 Cb 1.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2gol h ALA 83 CO 0.05 0.65 -0.42 0.28 0.00 0.00 0.00 179.25 179.82 2gol h VAL 84 N 0.67 0.04 -0.82 0.00 2.07 -1.27 -2.74 116.25 114.20 2gol h VAL 84 Ca 0.03 -0.11 0.15 0.00 0.82 0.00 0.00 66.70 67.58 2gol h VAL 84 Cb 1.09 0.05 -0.14 0.00 -1.52 0.00 0.00 31.29 30.76 2gol h VAL 84 CO 0.11 0.00 -0.26 0.18 0.02 0.00 0.00 177.57 177.62 2gol n LEU 85 N -5.56 -0.41 -0.35 2.57 4.77 -0.87 0.16 117.00 117.31 2gol n LEU 85 Ca -0.15 1.42 0.03 0.00 -0.03 0.00 0.00 56.01 57.29 2gol n LEU 85 Cb 0.47 -0.38 0.18 0.00 -2.33 0.00 0.00 43.42 41.36 2gol n LEU 85 CO 0.37 -1.32 1.23 0.22 -1.33 0.00 0.00 177.39 176.55 2gol h TYR 86 N 0.00 1.10 -0.24 -1.77 3.20 -1.07 0.64 116.97 118.84 2gol h TYR 86 Ca 0.34 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 2gol h TYR 86 Cb 0.55 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 2gol h TYR 86 CO -0.68 0.52 -0.18 0.00 -1.64 0.00 0.00 178.16 176.19 2gol h VAL 88 N 0.24 0.54 -0.96 0.00 2.07 -0.84 0.16 116.25 117.46 2gol h VAL 88 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.67 2gol h VAL 88 Cb 0.71 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 2gol h VAL 88 CO 0.05 0.00 0.62 0.45 0.02 0.00 0.00 177.57 178.70 2gol h HIS 89 N -0.24 1.08 -0.35 1.57 -0.00 -0.76 -0.14 115.15 116.31 2gol h HIS 89 Ca 0.09 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 2gol h HIS 89 Cb 0.37 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2gol h HIS 89 CO -0.28 0.47 0.00 1.04 -0.00 0.00 0.00 177.93 179.16 2gol n GLN 90 N -4.56 1.92 -1.34 2.45 1.13 -0.16 -4.90 117.38 111.90 2gol n GLN 90 Ca 0.17 -1.41 -0.12 0.00 -1.94 0.00 0.00 57.00 53.70 2gol n GLN 90 Cb 0.31 -1.34 -0.05 0.00 0.11 0.00 0.00 30.24 29.27 2gol n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2gol n ARG 91 N 0.64 -0.98 -2.90 -1.09 5.12 -0.07 -4.95 116.66 112.42 2gol n ARG 91 Ca 0.14 0.89 -0.42 0.00 -1.93 0.00 0.00 57.85 56.54 2gol n ARG 91 Cb 0.35 -4.95 -0.05 0.00 -1.16 0.00 0.00 32.46 26.65 2gol n ARG 91 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2gol s ILE 92 N -2.36 4.71 0.18 0.55 1.01 -0.13 -5.01 121.20 120.15 2gol s ILE 92 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.47 2gol s ILE 92 Cb 0.00 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 2gol s ILE 92 CO 0.00 -0.39 1.38 -1.81 0.00 0.00 0.00 174.94 174.12 2gol s ASP 93 N 1.75 6.80 -0.14 3.58 1.01 -1.26 -4.16 116.67 124.24 2gol s ASP 93 Ca 0.34 2.45 -0.11 0.00 0.71 0.00 0.00 52.55 55.94 2gol s ASP 93 Cb -0.13 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.23 2gol s ASP 93 CO 0.15 -0.62 0.36 0.68 0.21 0.00 0.00 175.17 175.96 2gol s VAL 94 N 0.44 -0.01 -0.17 -1.27 -7.23 -1.26 -4.96 120.40 105.94 2gol s VAL 94 Ca 0.60 0.03 0.20 0.00 -1.81 0.00 0.00 61.98 61.01 2gol s VAL 94 Cb -0.38 -0.52 -0.10 0.00 0.56 0.00 0.00 36.38 35.94 2gol s VAL 94 CO 0.36 0.01 0.86 0.29 -0.31 0.00 0.00 175.10 176.32 2gol n LYS 95 N 3.32 0.62 -3.88 4.82 4.01 -1.26 -4.75 118.16 121.04 2gol n LYS 95 Ca -0.16 0.11 -0.09 0.00 -0.51 0.00 0.00 58.31 57.65 2gol n LYS 95 Cb 0.57 -1.77 -0.04 0.00 -0.51 0.00 0.00 35.03 33.28 2gol n LYS 95 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 2gol s ASP 96 N -5.38 -0.19 0.28 4.39 1.47 -1.26 0.60 116.67 116.58 2gol s ASP 96 Ca -0.03 -0.70 0.00 0.00 1.18 0.00 0.00 52.55 53.00 2gol s ASP 96 Cb 0.10 0.62 0.64 0.00 -0.34 0.00 0.00 42.92 43.94 2gol s ASP 96 CO 0.81 -1.17 1.66 0.74 0.68 0.00 0.00 175.17 177.90 2gol h THR 97 N 2.17 0.38 -0.47 2.11 2.02 -1.19 -2.17 112.91 115.76 2gol h THR 97 Ca -0.25 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.78 2gol h THR 97 Cb 1.25 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2gol h THR 97 CO 0.33 0.04 0.01 0.50 0.37 0.00 0.00 175.52 176.77 2gol h LYS 98 N 0.24 0.82 -0.68 6.66 3.64 -1.86 0.21 116.57 125.59 2gol h LYS 98 Ca 0.51 -0.25 0.08 0.00 -1.27 0.00 0.00 60.65 59.72 2gol h LYS 98 Cb 0.98 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 2gol h LYS 98 CO -0.61 0.86 0.35 1.49 -2.27 0.00 0.00 179.45 179.27 2gol h GLU 99 N 0.67 0.59 0.12 1.90 4.81 -1.85 -0.29 114.58 120.54 2gol h GLU 99 Ca 0.13 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2gol h GLU 99 Cb 0.48 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2gol h GLU 99 CO 0.02 0.39 -0.13 0.00 -0.73 0.00 0.00 179.01 178.56 2gol h ALA 100 N 1.40 -0.26 -0.13 2.92 0.00 -0.74 -1.61 119.26 120.84 2gol h ALA 100 Ca 0.33 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2gol h ALA 100 Cb 0.31 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2gol h ALA 100 CO -0.24 -0.67 0.10 -0.07 0.00 0.00 0.00 179.25 178.37 2gol h LEU 101 N -0.29 0.00 -0.03 0.00 3.38 -0.21 -1.58 115.31 116.58 2gol h LEU 101 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2gol h LEU 101 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2gol h LEU 101 CO -0.04 0.00 -0.29 0.44 0.09 0.00 0.00 178.44 178.63 2gol h ASP 102 N 0.00 0.31 -0.90 -0.43 3.32 -0.61 0.44 116.42 118.55 2gol h ASP 102 Ca 0.06 -0.71 0.11 0.00 0.02 0.00 0.00 57.03 56.52 2gol h ASP 102 Cb 0.25 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 2gol h ASP 102 CO -0.00 0.97 0.53 0.11 -1.72 0.00 0.00 179.24 179.13 2gol h LYS 103 N -0.32 0.82 -0.26 3.56 6.56 -1.05 -2.02 116.57 123.86 2gol h LYS 103 Ca -0.03 -0.05 -0.13 0.00 -1.06 0.00 0.00 60.65 59.38 2gol h LYS 103 Cb 0.99 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.45 2gol h LYS 103 CO 0.06 0.55 -0.38 0.82 -2.06 0.00 0.00 179.45 178.44 2gol h ILE 104 N 0.85 1.29 -0.61 1.86 5.03 -1.15 -2.80 117.51 121.98 2gol h ILE 104 Ca 0.45 -1.53 0.06 0.00 -0.12 0.00 0.00 64.86 63.71 2gol h ILE 104 Cb 0.45 1.50 -0.08 0.00 -3.03 0.00 0.00 36.82 35.66 2gol h ILE 104 CO -0.27 0.49 -0.43 -0.33 -0.68 0.00 0.00 178.15 176.92 2gol h GLU 105 N 0.50 -0.09 0.00 2.37 4.39 0.60 -3.07 114.58 119.28 2gol h GLU 105 Ca 0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2gol h GLU 105 Cb 0.88 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2gol h GLU 105 CO 0.08 -0.06 -0.07 1.05 -1.16 0.00 0.00 179.01 178.85 2gol h GLU 106 N -0.09 0.00 0.00 2.33 -0.00 -1.43 -3.51 114.58 111.88 2gol h GLU 106 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.46 2gol h GLU 106 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.10 2gol h GLU 106 CO -0.62 0.00 0.00 0.39 -0.00 0.00 0.00 179.01 178.78