#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gjf n SER 2 N 0.00 -5.29 -4.91 1.61 3.41 -1.26 -4.96 113.62 102.22 2gjf n SER 2 Ca 0.00 0.10 -0.31 0.00 -0.26 0.00 0.00 58.87 58.39 2gjf n SER 2 Cb 0.00 -4.46 -0.04 0.00 -0.26 0.00 0.00 64.21 59.44 2gjf n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2gjf s LYS 3 N -4.86 3.54 -0.21 4.33 -0.14 -1.26 -4.65 119.74 116.50 2gjf s LYS 3 Ca 0.00 -0.24 -0.04 0.00 -1.36 0.00 0.00 55.97 54.33 2gjf s LYS 3 Cb 0.00 -2.94 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 2gjf s LYS 3 CO 0.00 0.54 -0.04 0.99 -0.76 0.00 0.00 175.35 176.07 2gjf s THR 4 N -1.58 3.45 -0.28 2.17 2.01 -1.05 -3.27 115.64 117.08 2gjf s THR 4 Ca 0.38 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 2gjf s THR 4 Cb -0.13 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2gjf s THR 4 CO 0.26 0.43 0.06 -0.63 -0.69 0.00 0.00 174.62 174.05 2gjf s ILE 5 N 1.29 3.89 -0.32 1.82 1.01 -0.50 -0.54 121.20 127.85 2gjf s ILE 5 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2gjf s ILE 5 Cb -0.14 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2gjf s ILE 5 CO -0.02 0.15 0.18 -0.36 0.00 0.00 0.00 174.94 174.89 2gjf s PHE 6 N 1.50 3.19 -0.35 3.97 0.40 0.57 -0.15 117.98 127.12 2gjf s PHE 6 Ca 0.03 -0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 2gjf s PHE 6 Cb -0.17 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.02 2gjf s PHE 6 CO 0.02 -0.41 0.12 0.14 0.70 0.00 0.00 175.22 175.79 2gjf s VAL 7 N 1.65 3.83 -0.07 -0.44 -7.23 -0.30 -0.08 120.40 117.77 2gjf s VAL 7 Ca 0.05 -1.16 -0.04 0.00 -1.81 0.00 0.00 61.98 59.02 2gjf s VAL 7 Cb -0.17 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 2gjf s VAL 7 CO 0.08 -0.21 0.11 -0.63 -0.31 0.00 0.00 175.10 174.13 2gjf s ILE 8 N 1.40 5.11 -0.32 -0.62 1.01 0.83 -1.32 121.20 127.29 2gjf s ILE 8 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.59 2gjf s ILE 8 Cb -0.20 -3.26 0.10 0.00 0.01 0.00 0.00 42.46 39.11 2gjf s ILE 8 CO 0.03 0.52 0.09 -0.69 0.00 0.00 0.00 174.94 174.88 2gjf s VAL 9 N -1.08 1.24 0.28 2.92 1.01 -0.96 -0.11 120.40 123.70 2gjf s VAL 9 Ca 0.18 -1.66 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 2gjf s VAL 9 Cb -0.12 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 2gjf s VAL 9 CO 0.08 -0.66 1.25 -2.16 0.00 0.00 0.00 175.10 173.61 2gjf s PRO 10 N 1.42 4.44 -0.09 2.72 0.04 -1.26 -4.51 135.00 137.76 2gjf s PRO 10 Ca 0.10 2.06 0.13 0.00 0.04 0.00 0.00 61.00 63.33 2gjf s PRO 10 Cb -0.18 -3.14 0.26 0.00 0.04 0.00 0.00 34.50 31.48 2gjf s PRO 10 CO -0.21 -0.10 1.17 0.25 0.04 0.00 0.00 177.00 178.16 2gjf n THR 11 N 1.44 1.65 -3.69 1.26 -2.24 -1.26 0.03 114.28 111.48 2gjf n THR 11 Ca 0.01 -1.76 0.02 0.00 -2.27 0.00 0.00 64.05 60.05 2gjf n THR 11 Cb 0.43 0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2gjf n THR 11 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gjf s ASN 12 N -2.06 -0.05 0.32 3.42 4.22 -1.26 -4.96 114.94 114.57 2gjf s ASN 12 Ca 0.25 -0.17 0.01 0.00 -2.14 0.00 0.00 52.86 50.82 2gjf s ASN 12 Cb 0.21 0.17 0.56 0.00 1.28 0.00 0.00 41.25 43.47 2gjf s ASN 12 CO 0.04 -0.33 1.94 1.05 -2.04 0.00 0.00 177.10 177.77 2gjf h GLU 13 N 2.00 0.95 0.11 3.55 4.11 -1.98 -1.54 114.58 121.78 2gjf h GLU 13 Ca -0.29 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.10 2gjf h GLU 13 Cb 1.20 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2gjf h GLU 13 CO 0.29 0.63 -0.19 1.49 0.07 0.00 0.00 179.01 181.30 2gjf h GLU 14 N 0.98 -0.36 0.08 1.06 4.57 -1.98 0.31 114.58 119.23 2gjf h GLU 14 Ca 0.35 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.55 2gjf h GLU 14 Cb 0.13 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2gjf h GLU 14 CO -0.11 -0.24 -0.04 1.96 -1.18 0.00 0.00 179.01 179.40 2gjf h GLN 15 N -0.37 -0.10 0.08 1.92 1.08 -1.86 -1.20 115.11 114.65 2gjf h GLN 15 Ca 0.03 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2gjf h GLN 15 Cb 0.39 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 2gjf h GLN 15 CO -0.11 0.00 -0.23 0.28 -0.95 0.00 0.00 178.83 177.82 2gjf h VAL 16 N -0.18 0.47 -1.00 -0.54 2.07 -1.13 -0.73 116.25 115.22 2gjf h VAL 16 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 2gjf h VAL 16 Cb 0.15 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 2gjf h VAL 16 CO 0.02 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.24 2gjf h ALA 17 N 0.39 1.51 -0.34 1.67 0.00 -0.34 0.83 119.26 122.97 2gjf h ALA 17 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2gjf h ALA 17 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2gjf h ALA 17 CO -0.16 0.27 0.14 0.35 0.00 0.00 0.00 179.25 179.86 2gjf h PHE 18 N 1.03 0.52 0.11 0.00 3.57 -0.52 0.25 116.94 121.89 2gjf h PHE 18 Ca 0.48 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 2gjf h PHE 18 Cb 0.41 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2gjf h PHE 18 CO -0.00 0.48 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.44 2gjf h LEU 19 N 0.41 -0.13 -1.94 0.59 4.07 -0.30 -1.46 115.31 116.55 2gjf h LEU 19 Ca 0.12 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.81 2gjf h LEU 19 Cb 0.18 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 2gjf h LEU 19 CO -0.01 0.18 -0.11 1.05 -1.08 0.00 0.00 178.44 178.46 2gjf h GLU 20 N -0.44 0.00 -0.01 1.13 4.11 -0.84 -0.91 114.58 117.62 2gjf h GLU 20 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2gjf h GLU 20 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2gjf h GLU 20 CO 0.02 0.11 -0.03 0.00 0.07 0.00 0.00 179.01 179.19 2gjf h ALA 21 N 1.89 0.01 -0.06 1.06 0.00 -0.28 -3.26 119.26 118.62 2gjf h ALA 21 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2gjf h ALA 21 Cb 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2gjf h ALA 21 CO 0.01 -0.14 -0.38 1.37 0.00 0.00 0.00 179.25 180.12 2gjf h LEU 22 N -0.61 0.12 -2.06 0.00 8.10 -1.04 -2.70 115.31 117.11 2gjf h LEU 22 Ca -0.00 -0.04 0.11 0.00 0.11 0.00 0.00 57.88 58.05 2gjf h LEU 22 Cb 0.69 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.86 2gjf h LEU 22 CO 0.01 0.49 0.32 0.00 -4.11 0.00 0.00 178.44 175.15 2gjf h ALA 23 N 1.52 2.18 0.00 0.17 0.00 -1.21 0.20 119.26 122.12 2gjf h ALA 23 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2gjf h ALA 23 Cb 0.72 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2gjf h ALA 23 CO 0.05 -0.51 -0.42 0.87 0.00 0.00 0.00 179.25 179.24 2gjf h LYS 24 N 0.00 0.00 -5.54 0.00 1.57 -1.55 -3.42 116.57 107.63 2gjf h LYS 24 Ca 0.18 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.47 2gjf h LYS 24 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2gjf h LYS 24 CO -0.00 0.42 1.64 1.04 -0.57 0.00 0.00 179.45 181.98 2gjf n GLN 25 N -3.86 0.90 0.16 3.15 6.02 0.70 -4.76 117.38 119.68 2gjf n GLN 25 Ca -0.01 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.15 2gjf n GLN 25 Cb 0.47 -3.01 0.47 0.00 1.02 0.00 0.00 30.24 29.20 2gjf n GLN 25 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2gjf h ASP 26 N 17.48 0.00 0.88 1.08 3.58 -1.86 -2.91 116.42 134.67 2gjf h ASP 26 Ca -0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2gjf h ASP 26 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2gjf h ASP 26 CO 1.18 0.00 0.00 1.05 -2.88 0.00 0.00 179.24 178.59 2gjf h GLU 27 N 0.00 0.00 0.01 0.28 4.11 -1.96 -3.01 114.58 114.01 2gjf h GLU 27 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 2gjf h GLU 27 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 2gjf h GLU 27 CO 0.00 0.00 -0.45 -0.07 0.07 0.00 0.00 179.01 178.56 2gjf h LEU 28 N 0.00 0.38 0.87 3.06 3.38 -1.89 -3.47 115.31 117.64 2gjf h LEU 28 Ca 0.00 -0.78 -0.41 0.00 0.09 0.00 0.00 57.88 56.78 2gjf h LEU 28 Cb 0.44 -0.12 0.06 0.00 0.09 0.00 0.00 40.66 41.13 2gjf h LEU 28 CO 0.00 1.12 -0.61 0.59 0.09 0.00 0.00 178.44 179.63 2gjf n ASN 29 N -4.35 -6.01 -3.11 -0.43 4.13 -1.14 -4.98 115.26 99.38 2gjf n ASN 29 Ca -0.10 -0.31 -0.17 0.00 1.68 0.00 0.00 54.58 55.68 2gjf n ASN 29 Cb 0.60 -4.85 0.13 0.00 -1.54 0.00 0.00 39.78 34.12 2gjf n ASN 29 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2gjf n PHE 30 N -4.52 -3.85 -3.90 3.10 3.72 -1.26 -5.05 117.46 105.71 2gjf n PHE 30 Ca -0.10 -0.65 -0.30 0.00 -0.05 0.00 0.00 57.45 56.35 2gjf n PHE 30 Cb 0.61 -0.62 -0.14 0.00 -0.94 0.00 0.00 39.48 38.39 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 -3.63 4.33 0.27 4.37 1.01 -0.95 -5.00 116.67 117.06 2gjf s ASP 31 Ca 0.43 -2.37 -0.29 0.00 0.71 0.00 0.00 52.55 51.03 2gjf s ASP 31 Cb -0.02 -1.40 -0.09 0.00 1.01 0.00 0.00 42.92 42.42 2gjf s ASP 31 CO 0.31 -0.33 0.95 0.26 0.21 0.00 0.00 175.17 176.57 2gjf s TRP 32 N 0.62 3.87 -0.14 4.23 0.52 -1.26 -1.06 118.94 125.71 2gjf s TRP 32 Ca 0.13 1.86 0.13 0.00 0.02 0.00 0.00 56.10 58.24 2gjf s TRP 32 Cb -0.21 -2.97 -0.24 0.00 -1.15 0.00 0.00 33.47 28.90 2gjf s TRP 32 CO -0.07 0.33 0.27 1.04 0.02 0.00 0.00 176.95 178.54 2gjf n GLN 33 N 1.15 0.67 -3.78 4.98 1.13 -0.71 -4.98 117.38 115.83 2gjf n GLN 33 Ca -0.01 0.14 -0.12 0.00 -1.94 0.00 0.00 57.00 55.07 2gjf n GLN 33 Cb 0.48 -1.63 -0.09 0.00 0.11 0.00 0.00 30.24 29.11 2gjf n GLN 33 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2gjf s ASN 34 N -5.93 -0.13 -0.14 1.08 2.20 -1.26 -5.00 114.94 105.76 2gjf s ASN 34 Ca -0.12 -0.05 -0.29 0.00 -0.94 0.00 0.00 52.86 51.46 2gjf s ASN 34 Cb 0.07 0.30 -0.04 0.00 -2.00 0.00 0.00 41.25 39.59 2gjf s ASN 34 CO 0.80 -0.48 1.56 -2.16 -2.94 0.00 0.00 177.10 173.88 2gjf s PRO 35 N -1.66 4.04 -1.10 3.55 0.04 -1.26 -4.82 135.00 133.79 2gjf s PRO 35 Ca -0.11 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 2gjf s PRO 35 Cb -0.04 -3.96 -0.11 0.00 0.04 0.00 0.00 34.50 30.43 2gjf s PRO 35 CO 0.02 -1.00 1.93 -0.35 0.04 0.00 0.00 177.00 177.64 2gjf n PRO 36 N 7.24 1.55 0.00 0.56 -0.04 -1.26 -4.22 135.00 138.83 2gjf n PRO 36 Ca 0.17 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 2gjf n PRO 36 Cb 0.44 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.33 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 7.47 0.00 -2.91 0.52 -1.04 -1.26 -4.22 114.28 112.84 2gjf n THR 37 Ca 0.46 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.05 2gjf n THR 37 Cb 0.45 -0.40 -0.04 0.00 -1.82 0.00 0.00 70.33 68.51 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 4.03 0.17 -2.82 0.41 -1.26 -5.02 118.70 112.58 2gjf s GLU 38 Ca 0.00 0.72 -0.30 0.00 -0.41 0.00 0.00 54.97 54.97 2gjf s GLU 38 Cb 0.00 -3.71 -0.08 0.00 -1.78 0.00 0.00 34.13 28.56 2gjf s GLU 38 CO 0.00 -0.65 1.32 -1.25 -0.49 0.00 0.00 175.26 174.19 2gjf s PRO 39 N 2.98 4.38 0.00 0.39 0.04 -1.26 -2.83 135.00 138.69 2gjf s PRO 39 Ca 0.34 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2gjf s PRO 39 Cb -0.14 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2gjf s PRO 39 CO 0.11 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2gjf n GLY 40 N 2.65 0.72 3.79 0.56 0.00 0.10 -5.00 105.19 108.02 2gjf n GLY 40 Ca 0.07 0.00 -0.38 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 -0.72 4.15 -0.63 1.61 0.74 -1.13 -4.89 119.66 118.80 2gjf s GLN 41 Ca 0.00 0.54 -0.26 0.00 0.05 0.00 0.00 55.36 55.68 2gjf s GLN 41 Cb 0.00 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.79 2gjf s GLN 41 CO 0.00 0.50 1.87 -1.25 -0.55 0.00 0.00 175.29 175.86 2gjf s PRO 42 N -0.52 2.62 -0.35 1.67 0.04 -1.26 -4.35 135.00 132.85 2gjf s PRO 42 Ca 0.26 0.56 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 2gjf s PRO 42 Cb -0.17 -4.43 0.01 0.00 0.04 0.00 0.00 34.50 29.95 2gjf s PRO 42 CO 0.14 -2.78 0.84 0.08 0.04 0.00 0.00 177.00 175.33 2gjf s VAL 43 N 9.16 4.69 -0.00 -0.36 1.01 0.84 -4.92 120.40 130.83 2gjf s VAL 43 Ca 0.68 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 63.61 2gjf s VAL 43 Cb -0.12 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 2gjf s VAL 43 CO 0.20 -0.42 0.37 -0.69 0.00 0.00 0.00 175.10 174.56 2gjf s VAL 44 N 3.20 5.09 -0.16 2.92 1.01 -1.26 -0.12 120.40 131.08 2gjf s VAL 44 Ca 0.34 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 2gjf s VAL 44 Cb -0.13 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.66 2gjf s VAL 44 CO 0.16 0.55 0.19 -0.63 0.00 0.00 0.00 175.10 175.37 2gjf s ILE 45 N -1.11 -0.28 -0.45 2.22 1.01 0.89 -1.74 121.20 121.74 2gjf s ILE 45 Ca 0.24 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 2gjf s ILE 45 Cb -0.16 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.78 2gjf s ILE 45 CO 0.13 -0.11 0.97 -0.76 0.00 0.00 0.00 174.94 175.17 2gjf s LEU 46 N 2.30 3.92 0.14 2.97 1.02 -0.22 -0.31 118.68 128.49 2gjf s LEU 46 Ca 0.05 0.28 0.09 0.00 0.02 0.00 0.00 54.13 54.57 2gjf s LEU 46 Cb -0.15 -3.29 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 2gjf s LEU 46 CO -0.10 -1.06 -0.21 0.27 0.02 0.00 0.00 176.35 175.27 2gjf s ILE 47 N 3.86 1.91 0.82 -0.59 -4.36 0.30 -2.25 121.20 120.89 2gjf s ILE 47 Ca 0.40 -1.75 -0.11 0.00 -0.26 0.00 0.00 60.65 58.92 2gjf s ILE 47 Cb -0.10 -1.79 0.08 0.00 1.25 0.00 0.00 42.46 41.91 2gjf s ILE 47 CO 0.26 -0.12 1.09 -2.16 0.24 0.00 0.00 174.94 174.25 2gjf s PRO 48 N -2.30 1.88 0.28 0.37 0.04 -1.26 -2.53 135.00 131.48 2gjf s PRO 48 Ca 0.12 1.05 0.22 0.00 0.04 0.00 0.00 61.00 62.43 2gjf s PRO 48 Cb -0.08 -1.86 1.04 0.00 0.04 0.00 0.00 34.50 33.63 2gjf s PRO 48 CO 0.06 -1.87 1.68 0.45 0.04 0.00 0.00 177.00 177.36 2gjf n SER 49 N -3.66 0.61 -0.08 6.66 2.88 -1.26 -1.21 113.62 117.56 2gjf n SER 49 Ca 0.08 0.70 0.14 0.00 -1.33 0.00 0.00 58.87 58.46 2gjf n SER 49 Cb 0.54 -0.81 0.61 0.00 -0.75 0.00 0.00 64.21 63.79 2gjf n SER 49 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2gjf n ASP 50 N -2.23 0.37 0.00 -3.46 2.03 -1.26 -3.45 116.55 108.54 2gjf n ASP 50 Ca 0.01 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.91 2gjf n ASP 50 Cb 0.15 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.08 1.86 -0.10 -0.67 2.81 -0.35 -4.76 117.12 114.83 2gjf n MET 51 Ca 0.13 -1.13 -0.13 0.00 -1.81 0.00 0.00 57.70 54.76 2gjf n MET 51 Cb 0.28 -0.84 -0.03 0.00 -0.71 0.00 0.00 33.22 31.92 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 0.91 1.29 -0.25 2.03 3.04 -1.51 -2.21 116.25 119.55 2gjf h VAL 52 Ca 0.00 -1.49 -0.14 0.00 -1.01 0.00 0.00 66.70 64.06 2gjf h VAL 52 Cb 0.63 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 2gjf h VAL 52 CO 0.00 0.49 -0.42 -0.33 -1.01 0.00 0.00 177.57 176.30 2gjf h GLU 53 N 0.58 0.62 0.18 4.17 5.08 -1.86 -0.43 114.58 122.92 2gjf h GLU 53 Ca 0.05 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2gjf h GLU 53 Cb 0.90 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2gjf h GLU 53 CO 0.08 0.93 -0.09 2.35 -1.00 0.00 0.00 179.01 181.28 2gjf h TRP 54 N 0.50 -0.22 -0.11 4.33 7.01 -1.85 -1.34 115.95 124.27 2gjf h TRP 54 Ca 0.04 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2gjf h TRP 54 Cb 0.94 0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 28.07 2gjf h TRP 54 CO 0.04 0.04 0.01 0.35 -2.79 0.00 0.00 178.44 176.09 2gjf h PHE 55 N -0.47 0.19 -0.13 2.65 3.04 -1.42 0.78 116.94 121.59 2gjf h PHE 55 Ca -0.02 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.94 2gjf h PHE 55 Cb 0.36 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.76 2gjf h PHE 55 CO 0.00 0.40 -0.28 1.25 -2.02 0.00 0.00 178.31 177.66 2gjf h LEU 56 N -0.07 -0.87 -1.04 0.59 5.85 -1.10 0.23 115.31 118.90 2gjf h LEU 56 Ca 0.03 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2gjf h LEU 56 Cb 0.31 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2gjf h LEU 56 CO 0.00 -0.33 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.24 2gjf h GLU 57 N -0.35 0.44 0.28 1.25 5.08 -1.24 -0.44 114.58 119.59 2gjf h GLU 57 Ca 0.10 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2gjf h GLU 57 Cb 0.50 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2gjf h GLU 57 CO -0.33 0.63 -0.13 1.98 -1.00 0.00 0.00 179.01 180.16 2gjf h MET 58 N 0.40 -0.36 -0.37 2.33 4.05 0.24 0.68 114.93 121.90 2gjf h MET 58 Ca 0.06 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.40 2gjf h MET 58 Cb 0.59 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 2gjf h MET 58 CO 0.04 -0.15 -0.21 -0.07 0.23 0.00 0.00 176.91 176.75 2gjf h LEU 59 N -0.50 0.72 -1.07 3.39 3.38 -0.54 -2.85 115.31 117.84 2gjf h LEU 59 Ca -0.04 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 2gjf h LEU 59 Cb 0.37 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2gjf h LEU 59 CO 0.06 0.92 -0.13 0.11 0.09 0.00 0.00 178.44 179.49 2gjf h LYS 60 N 0.63 0.50 -0.97 1.13 1.57 -0.97 0.73 116.57 119.19 2gjf h LYS 60 Ca 0.09 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2gjf h LYS 60 Cb 0.70 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 2gjf h LYS 60 CO 0.05 0.63 0.63 0.00 -0.57 0.00 0.00 179.45 180.20 2gjf h ALA 61 N 1.40 1.39 0.00 3.86 0.00 -0.61 -2.40 119.26 122.90 2gjf h ALA 61 Ca 0.08 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2gjf h ALA 61 Cb 0.51 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2gjf h ALA 61 CO 0.03 0.50 -1.35 0.87 0.00 0.00 0.00 179.25 179.30 2gjf h LYS 62 N 1.19 0.00 -0.12 0.00 1.79 -1.49 -3.49 116.57 114.46 2gjf h LYS 62 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2gjf h LYS 62 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2gjf h LYS 62 CO -0.13 0.51 0.00 0.41 -1.08 0.00 0.00 179.45 179.16 2gjf n GLY 63 N 1.43 1.29 3.73 3.86 0.00 0.16 -5.07 105.19 110.59 2gjf n GLY 63 Ca -0.09 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.12 4.91 -0.57 -0.61 1.01 -0.63 -4.99 121.20 118.19 2gjf s ILE 64 Ca 0.00 1.57 -0.27 0.00 0.00 0.00 0.00 60.65 61.96 2gjf s ILE 64 Cb 0.00 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2gjf s ILE 64 CO 0.00 0.29 1.84 -2.16 0.00 0.00 0.00 174.94 174.91 2gjf s PRO 65 N 0.47 2.74 0.35 2.79 0.04 -1.26 -4.71 135.00 135.42 2gjf s PRO 65 Ca 0.39 0.72 0.04 0.00 0.04 0.00 0.00 61.00 62.19 2gjf s PRO 65 Cb -0.19 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 2gjf s PRO 65 CO 0.21 -2.59 0.13 -0.59 0.04 0.00 0.00 177.00 174.20 2gjf s PHE 66 N 8.70 1.75 -0.14 0.56 -0.12 -1.26 -2.26 117.98 125.21 2gjf s PHE 66 Ca 0.69 -1.26 -0.06 0.00 -0.05 0.00 0.00 56.93 56.24 2gjf s PHE 66 Cb -0.14 -1.06 0.06 0.00 -0.63 0.00 0.00 43.02 41.25 2gjf s PHE 66 CO 0.23 -0.33 0.31 0.99 -0.05 0.00 0.00 175.22 176.36 2gjf s THR 67 N -3.38 -0.21 -0.30 -4.49 2.01 -0.44 -4.97 115.64 103.87 2gjf s THR 67 Ca 0.31 0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.37 2gjf s THR 67 Cb 0.05 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 2gjf s THR 67 CO 0.16 0.07 0.19 0.54 -0.69 0.00 0.00 174.62 174.89 2gjf s VAL 68 N 1.75 5.13 0.06 3.82 0.11 -1.26 -1.15 120.40 128.87 2gjf s VAL 68 Ca -0.06 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 2gjf s VAL 68 Cb -0.10 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2gjf s VAL 68 CO -0.10 0.16 0.21 -0.31 -3.33 0.00 0.00 175.10 171.73 2gjf s TYR 69 N 1.72 3.52 -0.05 1.54 1.51 0.79 -4.91 117.35 121.47 2gjf s TYR 69 Ca 0.06 0.25 0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2gjf s TYR 69 Cb -0.16 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 2gjf s TYR 69 CO 0.10 0.59 -0.06 0.14 -1.11 0.00 0.00 175.55 175.21 2gjf s VAL 70 N -1.51 0.64 -0.29 0.71 -7.23 -1.26 -1.40 120.40 110.05 2gjf s VAL 70 Ca 0.35 -0.19 -0.35 0.00 -1.81 0.00 0.00 61.98 59.98 2gjf s VAL 70 Cb -0.13 -0.64 -0.11 0.00 0.56 0.00 0.00 36.38 36.06 2gjf s VAL 70 CO 0.28 0.25 2.11 1.21 -0.31 0.00 0.00 175.10 178.63 2gjf n GLU 71 N 3.96 1.32 0.00 4.82 2.13 -1.20 -5.03 120.64 126.65 2gjf n GLU 71 Ca -0.25 0.40 0.09 0.00 0.66 0.00 0.00 57.16 58.06 2gjf n GLU 71 Cb 0.51 -2.52 0.55 0.00 0.27 0.00 0.00 31.44 30.24 2gjf n GLU 71 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81