#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gjf s SER 2 N 0.00 5.20 0.13 1.61 1.04 -1.26 -4.90 113.70 115.51 2gjf s SER 2 Ca 0.00 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 2gjf s SER 2 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2gjf s SER 2 CO 0.00 -2.56 0.31 -0.75 0.98 0.00 0.00 173.24 171.22 2gjf s LYS 3 N 7.04 3.52 -0.41 4.02 2.47 -1.26 -4.77 119.74 130.35 2gjf s LYS 3 Ca 0.69 -0.31 -0.14 0.00 -1.56 0.00 0.00 55.97 54.65 2gjf s LYS 3 Cb -0.10 -2.92 0.03 0.00 -1.46 0.00 0.00 37.83 33.38 2gjf s LYS 3 CO 0.11 0.51 0.30 0.99 0.16 0.00 0.00 175.35 177.41 2gjf s THR 4 N -1.65 5.09 -0.33 3.43 2.01 -0.95 -4.10 115.64 119.13 2gjf s THR 4 Ca 0.38 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 2gjf s THR 4 Cb -0.12 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 2gjf s THR 4 CO 0.27 -0.35 0.47 -0.63 -0.69 0.00 0.00 174.62 173.69 2gjf s ILE 5 N 1.64 5.07 -0.32 1.82 1.01 -0.33 -1.08 121.20 129.00 2gjf s ILE 5 Ca 0.04 0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.93 2gjf s ILE 5 Cb -0.20 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 2gjf s ILE 5 CO 0.09 -0.13 0.18 -0.36 0.00 0.00 0.00 174.94 174.71 2gjf s PHE 6 N 2.28 3.19 -0.36 3.97 0.40 0.77 -0.13 117.98 128.11 2gjf s PHE 6 Ca 0.17 -0.50 -0.08 0.00 -0.60 0.00 0.00 56.93 55.92 2gjf s PHE 6 Cb -0.16 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.02 2gjf s PHE 6 CO 0.12 -0.44 0.15 0.08 0.70 0.00 0.00 175.22 175.84 2gjf s VAL 7 N 1.64 4.10 -0.08 -0.44 1.01 -0.39 -0.09 120.40 126.15 2gjf s VAL 7 Ca 0.05 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2gjf s VAL 7 Cb -0.17 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2gjf s VAL 7 CO 0.07 -0.22 0.08 -0.63 0.00 0.00 0.00 175.10 174.40 2gjf s ILE 8 N 1.46 4.93 -0.39 2.22 1.09 0.38 -0.13 121.20 130.76 2gjf s ILE 8 Ca -0.00 -0.10 0.01 0.00 -1.10 0.00 0.00 60.65 59.46 2gjf s ILE 8 Cb -0.20 -3.16 0.12 0.00 -1.06 0.00 0.00 42.46 38.17 2gjf s ILE 8 CO 0.04 0.54 0.17 -0.69 -0.10 0.00 0.00 174.94 174.90 2gjf s VAL 9 N -1.03 1.41 0.47 2.92 1.01 -0.89 -0.08 120.40 124.20 2gjf s VAL 9 Ca 0.17 -2.19 -0.23 0.00 0.00 0.00 0.00 61.98 59.73 2gjf s VAL 9 Cb -0.12 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 2gjf s VAL 9 CO 0.06 -0.78 1.16 -2.16 0.00 0.00 0.00 175.10 173.39 2gjf s PRO 10 N 0.80 3.73 -0.09 2.72 0.04 -1.26 -4.46 135.00 136.48 2gjf s PRO 10 Ca 0.14 1.76 0.16 0.00 0.04 0.00 0.00 61.00 63.10 2gjf s PRO 10 Cb -0.22 -2.38 0.34 0.00 0.04 0.00 0.00 34.50 32.29 2gjf s PRO 10 CO -0.09 -0.57 1.16 0.25 0.04 0.00 0.00 177.00 177.79 2gjf n THR 11 N -0.54 1.02 -3.62 1.26 -2.24 -1.26 0.03 114.28 108.92 2gjf n THR 11 Ca 0.08 -1.79 -0.03 0.00 -2.27 0.00 0.00 64.05 60.03 2gjf n THR 11 Cb 0.48 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 2gjf n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2gjf s ASN 12 N -2.39 -0.09 0.47 3.42 2.47 -1.26 -4.98 114.94 112.58 2gjf s ASN 12 Ca 0.30 0.03 0.25 0.00 0.42 0.00 0.00 52.86 53.85 2gjf s ASN 12 Cb 0.31 0.08 1.28 0.00 -1.45 0.00 0.00 41.25 41.47 2gjf s ASN 12 CO -0.08 -0.13 1.85 -0.33 -3.72 0.00 0.00 177.10 174.69 2gjf h GLU 13 N 2.04 0.21 0.01 0.43 4.39 -1.98 -0.20 114.58 119.47 2gjf h GLU 13 Ca -0.07 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2gjf h GLU 13 Cb 1.16 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2gjf h GLU 13 CO 0.22 0.14 -0.01 1.49 -1.16 0.00 0.00 179.01 179.69 2gjf h GLU 14 N 0.21 -0.02 -0.41 2.33 4.81 -1.98 0.28 114.58 119.80 2gjf h GLU 14 Ca 0.48 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 2gjf h GLU 14 Cb 1.52 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.88 2gjf h GLU 14 CO -0.12 0.19 0.17 1.96 -0.73 0.00 0.00 179.01 180.48 2gjf h GLN 15 N -0.22 0.61 0.28 1.92 1.08 -1.47 -0.86 115.11 116.44 2gjf h GLN 15 Ca -0.00 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2gjf h GLN 15 Cb 0.21 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2gjf h GLN 15 CO 0.00 0.57 -0.13 0.28 -0.95 0.00 0.00 178.83 178.60 2gjf h VAL 16 N 0.52 0.77 -1.00 -0.54 2.07 -1.18 -0.86 116.25 116.03 2gjf h VAL 16 Ca 0.14 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.35 2gjf h VAL 16 Cb 0.18 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2gjf h VAL 16 CO -0.01 0.09 0.63 0.00 0.02 0.00 0.00 177.57 178.29 2gjf h ALA 17 N 0.05 1.49 -0.20 1.67 0.00 -0.43 0.21 119.26 122.06 2gjf h ALA 17 Ca -0.04 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2gjf h ALA 17 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2gjf h ALA 17 CO 0.06 0.24 -0.03 0.35 0.00 0.00 0.00 179.25 179.87 2gjf h PHE 18 N 1.00 0.41 -0.22 0.00 3.04 -1.04 0.16 116.94 120.28 2gjf h PHE 18 Ca 0.49 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.34 2gjf h PHE 18 Cb 0.46 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 2gjf h PHE 18 CO -0.01 0.60 0.08 -0.07 -2.02 0.00 0.00 178.31 176.90 2gjf h LEU 19 N 0.11 0.31 -1.19 0.59 3.38 -0.40 -1.50 115.31 116.61 2gjf h LEU 19 Ca 0.05 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2gjf h LEU 19 Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2gjf h LEU 19 CO 0.02 0.40 -0.40 1.05 0.09 0.00 0.00 178.44 179.60 2gjf h GLU 20 N 0.20 0.00 0.08 1.13 4.11 -0.61 -1.96 114.58 117.54 2gjf h GLU 20 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 2gjf h GLU 20 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2gjf h GLU 20 CO -0.00 0.40 -0.04 0.00 0.07 0.00 0.00 179.01 179.43 2gjf h ALA 21 N 1.60 -0.11 -0.05 1.06 0.00 -0.36 -3.12 119.26 118.27 2gjf h ALA 21 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2gjf h ALA 21 Cb 0.72 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2gjf h ALA 21 CO 0.05 -0.37 -0.26 1.37 0.00 0.00 0.00 179.25 180.04 2gjf h LEU 22 N -0.49 0.09 -2.06 0.00 8.10 -1.24 -2.47 115.31 117.25 2gjf h LEU 22 Ca -0.01 -0.02 0.11 0.00 0.11 0.00 0.00 57.88 58.07 2gjf h LEU 22 Cb 0.42 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 2gjf h LEU 22 CO 0.02 0.36 0.35 0.00 -4.11 0.00 0.00 178.44 175.06 2gjf h ALA 23 N 1.65 2.15 0.00 0.17 0.00 -1.29 0.27 119.26 122.21 2gjf h ALA 23 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2gjf h ALA 23 Cb 0.52 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2gjf h ALA 23 CO 0.04 -0.55 -0.39 0.87 0.00 0.00 0.00 179.25 179.22 2gjf h LYS 24 N 0.00 0.00 -5.50 0.00 1.57 -1.48 -3.42 116.57 107.74 2gjf h LYS 24 Ca 0.18 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.49 2gjf h LYS 24 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2gjf h LYS 24 CO -0.00 0.39 1.66 1.04 -0.57 0.00 0.00 179.45 181.97 2gjf n GLN 25 N -3.76 0.85 0.17 3.15 6.02 0.94 -4.76 117.38 119.99 2gjf n GLN 25 Ca -0.01 0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.13 2gjf n GLN 25 Cb 0.47 -3.03 0.48 0.00 1.02 0.00 0.00 30.24 29.18 2gjf n GLN 25 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2gjf h ASP 26 N 17.85 0.00 0.81 1.08 3.32 -1.86 -2.89 116.42 134.74 2gjf h ASP 26 Ca -0.21 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2gjf h ASP 26 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 2gjf h ASP 26 CO 1.20 0.00 -0.04 1.05 -1.72 0.00 0.00 179.24 179.73 2gjf h GLU 27 N 0.00 0.00 -0.09 3.56 4.11 -1.96 -3.00 114.58 117.19 2gjf h GLU 27 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2gjf h GLU 27 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2gjf h GLU 27 CO 0.00 0.04 -0.14 -0.07 0.07 0.00 0.00 179.01 178.91 2gjf h LEU 28 N 0.00 0.28 1.47 3.06 3.38 -1.89 -3.47 115.31 118.13 2gjf h LEU 28 Ca -0.00 -0.54 -0.31 0.00 0.09 0.00 0.00 57.88 57.12 2gjf h LEU 28 Cb 0.46 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.14 2gjf h LEU 28 CO 0.01 0.76 -0.43 -3.20 0.09 0.00 0.00 178.44 175.66 2gjf n ASN 29 N -4.60 -4.88 -3.13 -0.43 5.15 -1.14 -5.00 115.26 101.23 2gjf n ASN 29 Ca -0.07 -0.11 -0.17 0.00 -0.60 0.00 0.00 54.58 53.62 2gjf n ASN 29 Cb 0.37 -3.87 0.12 0.00 -0.53 0.00 0.00 39.78 35.87 2gjf n ASN 29 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2gjf n PHE 30 N -4.11 -3.96 -3.82 1.20 3.72 -1.26 -5.00 117.46 104.22 2gjf n PHE 30 Ca -0.14 -0.69 -0.30 0.00 -0.05 0.00 0.00 57.45 56.27 2gjf n PHE 30 Cb 0.62 -0.62 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 2gjf n PHE 30 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2gjf s ASP 31 N -3.84 4.13 0.03 4.37 1.01 -0.53 -4.97 116.67 116.87 2gjf s ASP 31 Ca 0.45 -2.24 -0.30 0.00 0.71 0.00 0.00 52.55 51.16 2gjf s ASP 31 Cb -0.01 -1.20 -0.04 0.00 1.01 0.00 0.00 42.92 42.68 2gjf s ASP 31 CO 0.31 -0.34 1.00 0.26 0.21 0.00 0.00 175.17 176.62 2gjf s TRP 32 N 0.81 3.66 0.01 4.23 0.52 -1.26 -0.26 118.94 126.65 2gjf s TRP 32 Ca 0.13 1.67 -0.04 0.00 0.02 0.00 0.00 56.10 57.89 2gjf s TRP 32 Cb -0.21 -3.14 -0.28 0.00 -1.15 0.00 0.00 33.47 28.68 2gjf s TRP 32 CO -0.10 -0.12 0.89 1.96 0.02 0.00 0.00 176.95 179.60 2gjf h GLN 33 N 6.58 0.27 -3.63 4.98 1.08 -1.52 -3.48 115.11 119.40 2gjf h GLN 33 Ca -0.41 -0.45 -0.13 0.00 -1.45 0.00 0.00 58.65 56.20 2gjf h GLN 33 Cb 1.22 0.17 -0.19 0.00 -0.05 0.00 0.00 27.48 28.63 2gjf h GLN 33 CO 0.75 1.14 -0.49 0.54 -0.95 0.00 0.00 178.83 179.82 2gjf s ASN 34 N -7.03 0.08 -0.13 1.46 2.20 -1.26 -5.01 114.94 105.26 2gjf s ASN 34 Ca -0.09 -0.35 -0.29 0.00 -0.94 0.00 0.00 52.86 51.19 2gjf s ASN 34 Cb 0.07 0.22 -0.04 0.00 -2.00 0.00 0.00 41.25 39.50 2gjf s ASN 34 CO 0.86 -0.45 1.55 -2.16 -2.94 0.00 0.00 177.10 173.96 2gjf s PRO 35 N -2.01 4.09 -1.12 3.55 0.04 -1.26 -4.81 135.00 133.48 2gjf s PRO 35 Ca -0.10 1.91 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 2gjf s PRO 35 Cb -0.04 -3.94 -0.10 0.00 0.04 0.00 0.00 34.50 30.45 2gjf s PRO 35 CO -0.01 -0.94 1.93 -0.35 0.04 0.00 0.00 177.00 177.67 2gjf n PRO 36 N 7.15 1.57 0.00 0.56 -0.04 -1.26 -4.23 135.00 138.75 2gjf n PRO 36 Ca 0.17 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 2gjf n PRO 36 Cb 0.44 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 2gjf n PRO 36 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2gjf n THR 37 N 7.54 0.00 -2.85 0.52 -1.04 -1.26 -4.28 114.28 112.91 2gjf n THR 37 Ca 0.46 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.04 2gjf n THR 37 Cb 0.46 -0.40 -0.04 0.00 -1.82 0.00 0.00 70.33 68.53 2gjf n THR 37 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2gjf s GLU 38 N -1.62 4.00 0.18 -2.82 2.02 -1.26 -5.02 118.70 114.17 2gjf s GLU 38 Ca 0.00 0.74 -0.30 0.00 0.02 0.00 0.00 54.97 55.43 2gjf s GLU 38 Cb 0.00 -3.73 -0.08 0.00 0.10 0.00 0.00 34.13 30.42 2gjf s GLU 38 CO 0.00 -0.75 1.32 -1.25 0.02 0.00 0.00 175.26 174.60 2gjf s PRO 39 N 3.17 4.38 0.00 0.39 0.04 -1.26 -2.80 135.00 138.92 2gjf s PRO 39 Ca 0.36 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2gjf s PRO 39 Cb -0.14 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2gjf s PRO 39 CO 0.13 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2gjf n GLY 40 N 2.61 0.81 3.77 0.56 0.00 0.10 -4.98 105.19 108.06 2gjf n GLY 40 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2gjf n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gjf s GLN 41 N -0.71 4.29 -0.60 1.61 2.00 -1.12 -4.87 119.66 120.25 2gjf s GLN 41 Ca 0.00 0.72 -0.27 0.00 -2.00 0.00 0.00 55.36 53.81 2gjf s GLN 41 Cb 0.00 -3.32 -0.02 0.00 0.80 0.00 0.00 33.01 30.47 2gjf s GLN 41 CO 0.00 0.42 1.86 -1.25 -0.50 0.00 0.00 175.29 175.82 2gjf s PRO 42 N -0.35 2.65 -0.32 1.67 0.04 -1.26 -4.39 135.00 133.03 2gjf s PRO 42 Ca 0.30 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.74 2gjf s PRO 42 Cb -0.18 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2gjf s PRO 42 CO 0.17 -2.71 0.83 0.08 0.04 0.00 0.00 177.00 175.41 2gjf s VAL 43 N 9.02 4.74 -0.07 -0.36 1.01 0.89 -4.90 120.40 130.73 2gjf s VAL 43 Ca 0.68 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 2gjf s VAL 43 Cb -0.13 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2gjf s VAL 43 CO 0.21 -0.33 0.39 -0.69 0.00 0.00 0.00 175.10 174.68 2gjf s VAL 44 N 3.09 5.15 -0.06 2.92 1.01 -1.26 -0.47 120.40 130.78 2gjf s VAL 44 Ca 0.34 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 2gjf s VAL 44 Cb -0.14 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2gjf s VAL 44 CO 0.14 0.48 0.01 -0.63 0.00 0.00 0.00 175.10 175.10 2gjf s ILE 45 N -0.33 0.27 -0.54 2.22 1.01 0.86 -1.10 121.20 123.60 2gjf s ILE 45 Ca 0.22 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.82 2gjf s ILE 45 Cb -0.15 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 41.91 2gjf s ILE 45 CO 0.10 0.24 0.88 -0.76 0.00 0.00 0.00 174.94 175.40 2gjf s LEU 46 N 1.96 4.27 0.16 2.97 2.01 0.64 -0.16 118.68 130.52 2gjf s LEU 46 Ca 0.04 -0.43 0.11 0.00 0.01 0.00 0.00 54.13 53.86 2gjf s LEU 46 Cb -0.12 -2.77 -0.04 0.00 0.01 0.00 0.00 46.19 43.26 2gjf s LEU 46 CO -0.05 -1.14 -0.25 0.27 1.01 0.00 0.00 176.35 176.19 2gjf s ILE 47 N 3.67 2.26 0.79 -0.59 -4.36 -0.24 -1.45 121.20 121.28 2gjf s ILE 47 Ca 0.28 -1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 58.69 2gjf s ILE 47 Cb -0.14 -2.03 0.07 0.00 1.25 0.00 0.00 42.46 41.61 2gjf s ILE 47 CO 0.18 -0.02 1.09 -2.16 0.24 0.00 0.00 174.94 174.27 2gjf s PRO 48 N -2.34 2.12 0.23 0.37 0.04 -1.26 -2.25 135.00 131.90 2gjf s PRO 48 Ca 0.17 1.13 0.20 0.00 0.04 0.00 0.00 61.00 62.53 2gjf s PRO 48 Cb -0.09 -1.88 0.92 0.00 0.04 0.00 0.00 34.50 33.49 2gjf s PRO 48 CO 0.08 -1.73 1.62 0.43 0.04 0.00 0.00 177.00 177.43 2gjf n SER 49 N -3.58 0.51 -0.08 6.66 7.64 -1.26 -1.26 113.62 122.25 2gjf n SER 49 Ca 0.09 0.66 0.14 0.00 1.01 0.00 0.00 58.87 60.76 2gjf n SER 49 Cb 0.53 -0.76 0.51 0.00 -1.01 0.00 0.00 64.21 63.49 2gjf n SER 49 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2gjf n ASP 50 N -2.10 0.44 0.00 6.43 2.03 -1.26 -3.55 116.55 118.54 2gjf n ASP 50 Ca 0.01 -0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.00 2gjf n ASP 50 Cb 0.15 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2gjf n ASP 50 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2gjf n MET 51 N -1.16 1.44 -0.16 -0.67 2.81 -0.39 -4.74 117.12 114.26 2gjf n MET 51 Ca 0.11 -1.04 -0.10 0.00 -1.81 0.00 0.00 57.70 54.86 2gjf n MET 51 Cb 0.31 -0.91 -0.00 0.00 -0.71 0.00 0.00 33.22 31.90 2gjf n MET 51 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2gjf h VAL 52 N 0.41 1.25 -0.26 2.03 3.04 -1.52 -2.06 116.25 119.14 2gjf h VAL 52 Ca 0.00 -0.93 -0.12 0.00 -1.01 0.00 0.00 66.70 64.65 2gjf h VAL 52 Cb 0.43 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2gjf h VAL 52 CO 0.00 0.32 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.23 2gjf h GLU 53 N 0.62 0.56 0.22 4.17 5.08 -1.85 -1.23 114.58 122.14 2gjf h GLU 53 Ca 0.14 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2gjf h GLU 53 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2gjf h GLU 53 CO 0.01 0.81 -0.11 2.35 -1.00 0.00 0.00 179.01 181.08 2gjf h TRP 54 N 0.47 -0.28 -0.61 4.33 7.01 -1.82 -1.58 115.95 123.48 2gjf h TRP 54 Ca 0.05 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 2gjf h TRP 54 Cb 0.80 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 2gjf h TRP 54 CO 0.03 -0.05 0.16 0.35 -2.79 0.00 0.00 178.44 176.14 2gjf h PHE 55 N -0.46 1.01 0.21 2.65 3.04 -1.37 0.10 116.94 122.12 2gjf h PHE 55 Ca -0.03 -0.12 0.01 0.00 3.98 0.00 0.00 57.97 61.81 2gjf h PHE 55 Cb 0.35 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 2gjf h PHE 55 CO -0.02 0.85 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.76 2gjf h LEU 56 N 0.88 -0.81 -1.21 0.59 3.38 -1.16 0.20 115.31 117.19 2gjf h LEU 56 Ca 0.19 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2gjf h LEU 56 Cb 0.34 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2gjf h LEU 56 CO -0.00 -0.40 -0.29 -0.33 0.09 0.00 0.00 178.44 177.51 2gjf h GLU 57 N -0.56 0.17 0.21 1.13 5.08 -1.24 -0.26 114.58 119.11 2gjf h GLU 57 Ca 0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2gjf h GLU 57 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2gjf h GLU 57 CO -0.11 0.45 -0.10 1.98 -1.00 0.00 0.00 179.01 180.23 2gjf h MET 58 N 0.16 -0.28 -0.10 2.33 4.05 -0.34 -0.30 114.93 120.44 2gjf h MET 58 Ca 0.02 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 2gjf h MET 58 Cb 0.60 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 2gjf h MET 58 CO 0.04 0.00 -0.42 -0.07 0.23 0.00 0.00 176.91 176.69 2gjf h LEU 59 N -0.55 0.24 -0.79 3.39 3.38 -0.57 -2.92 115.31 117.50 2gjf h LEU 59 Ca -0.03 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2gjf h LEU 59 Cb 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2gjf h LEU 59 CO 0.05 0.64 -0.37 0.11 0.09 0.00 0.00 178.44 178.95 2gjf h LYS 60 N 0.19 0.47 -0.84 1.13 1.57 -0.97 0.14 116.57 118.26 2gjf h LYS 60 Ca 0.02 -0.22 0.13 0.00 -1.87 0.00 0.00 60.65 58.70 2gjf h LYS 60 Cb 0.83 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.07 2gjf h LYS 60 CO 0.06 0.77 0.55 0.00 -0.57 0.00 0.00 179.45 180.27 2gjf h ALA 61 N 1.21 1.86 0.00 3.86 0.00 -0.84 -1.70 119.26 123.65 2gjf h ALA 61 Ca 0.04 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2gjf h ALA 61 Cb 0.84 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2gjf h ALA 61 CO 0.07 -0.07 -1.72 1.63 0.00 0.00 0.00 179.25 179.16 2gjf n LYS 62 N -4.53 0.64 -1.07 0.00 4.76 -1.11 -5.00 118.16 111.86 2gjf n LYS 62 Ca 0.16 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2gjf n LYS 62 Cb 0.44 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2gjf n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gjf n GLY 63 N 1.42 1.14 3.71 0.72 0.00 -0.08 -5.05 105.19 107.05 2gjf n GLY 63 Ca -0.12 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2gjf n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gjf s ILE 64 N -2.06 4.64 -0.58 -0.61 1.01 -0.53 -4.97 121.20 118.10 2gjf s ILE 64 Ca 0.00 1.90 -0.27 0.00 0.00 0.00 0.00 60.65 62.28 2gjf s ILE 64 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2gjf s ILE 64 CO 0.00 0.15 1.85 -2.16 0.00 0.00 0.00 174.94 174.78 2gjf s PRO 65 N 1.02 2.71 0.43 2.79 0.04 -1.26 -4.75 135.00 135.98 2gjf s PRO 65 Ca 0.54 0.69 0.03 0.00 0.04 0.00 0.00 61.00 62.30 2gjf s PRO 65 Cb -0.23 -4.36 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 2gjf s PRO 65 CO 0.28 -2.63 0.05 -0.59 0.04 0.00 0.00 177.00 174.15 2gjf s PHE 66 N 8.82 2.00 -0.13 0.56 -0.12 -1.26 -2.11 117.98 125.74 2gjf s PHE 66 Ca 0.68 -0.98 -0.05 0.00 -0.05 0.00 0.00 56.93 56.54 2gjf s PHE 66 Cb -0.13 -1.48 0.07 0.00 -0.63 0.00 0.00 43.02 40.85 2gjf s PHE 66 CO 0.22 0.11 0.25 0.99 -0.05 0.00 0.00 175.22 176.74 2gjf s THR 67 N -3.00 -0.40 -0.17 -4.49 2.01 0.82 -4.97 115.64 105.44 2gjf s THR 67 Ca 0.22 0.25 -0.19 0.00 0.31 0.00 0.00 61.69 62.28 2gjf s THR 67 Cb 0.05 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 2gjf s THR 67 CO 0.11 0.09 0.52 -0.69 -0.69 0.00 0.00 174.62 173.96 2gjf s VAL 68 N 2.40 5.12 0.18 3.82 1.01 -1.26 -1.26 120.40 130.42 2gjf s VAL 68 Ca 0.02 1.00 0.10 0.00 0.00 0.00 0.00 61.98 63.10 2gjf s VAL 68 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2gjf s VAL 68 CO -0.09 0.22 -0.18 -0.31 0.00 0.00 0.00 175.10 174.75 2gjf s TYR 69 N 1.31 2.46 0.11 5.22 2.02 0.82 -4.97 117.35 124.30 2gjf s TYR 69 Ca 0.26 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2gjf s TYR 69 Cb -0.15 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2gjf s TYR 69 CO 0.10 0.50 0.02 0.14 -1.57 0.00 0.00 175.55 174.74 2gjf s VAL 70 N -1.64 0.18 0.52 0.71 -7.23 -1.26 -1.19 120.40 110.49 2gjf s VAL 70 Ca 0.22 -1.88 -0.22 0.00 -1.81 0.00 0.00 61.98 58.29 2gjf s VAL 70 Cb -0.08 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 2gjf s VAL 70 CO 0.12 -0.64 1.23 -0.70 -0.31 0.00 0.00 175.10 174.80 2gjf s GLU 71 N -4.00 3.38 0.00 4.82 2.12 -1.26 -5.05 118.70 118.72 2gjf s GLU 71 Ca 0.19 1.92 0.29 0.00 0.36 0.00 0.00 54.97 57.72 2gjf s GLU 71 Cb 0.08 -2.24 1.72 0.00 0.26 0.00 0.00 34.13 33.94 2gjf s GLU 71 CO -0.02 -0.90 2.06 0.39 -0.54 0.00 0.00 175.26 176.25