#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 2.37 0.45 1.61 0.01 -1.26 -4.86 113.70 112.02 2gjf s SER 2 Ca 0.00 -1.06 0.07 0.00 1.31 0.00 0.00 55.95 56.27 2gjf s SER 2 Cb 0.00 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.41 2gjf s SER 2 CO 0.00 -0.40 0.61 -0.54 0.41 0.00 0.00 173.24 173.32 2gjf s LYS 3 N 2.16 2.77 -0.20 12.44 1.02 -1.26 -4.80 119.74 131.87 2gjf s LYS 3 Ca 0.10 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 54.92 2gjf s LYS 3 Cb -0.15 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2gjf s LYS 3 CO -0.31 -0.36 -0.16 0.95 -0.92 0.00 0.00 175.35 174.54 2gjf s THR 4 N -2.43 2.26 -0.23 2.17 -4.23 -0.98 -3.87 115.64 108.33 2gjf s THR 4 Ca 0.56 -0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.98 2gjf s THR 4 Cb -0.10 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 2gjf s THR 4 CO 0.34 0.44 0.14 -0.63 -0.54 0.00 0.00 174.62 174.37 2gjf s ILE 5 N 1.29 5.27 -0.24 2.99 1.01 -0.25 -0.87 121.20 130.40 2gjf s ILE 5 Ca 0.03 0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 2gjf s ILE 5 Cb -0.14 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 2gjf s ILE 5 CO -0.10 0.37 0.01 -0.36 0.00 0.00 0.00 174.94 174.86 2gjf s PHE 6 N 0.88 3.03 -0.34 3.97 0.40 0.57 -0.44 117.98 126.06 2gjf s PHE 6 Ca 0.07 -0.82 -0.06 0.00 -0.60 0.00 0.00 56.93 55.52 2gjf s PHE 6 Cb -0.13 -2.17 0.04 0.00 0.51 0.00 0.00 43.02 41.27 2gjf s PHE 6 CO 0.03 -0.51 0.09 0.14 0.70 0.00 0.00 175.22 175.68 2gjf s VAL 7 N 1.52 3.69 -0.06 -0.44 -7.23 -0.39 -0.14 120.40 117.35 2gjf s VAL 7 Ca 0.05 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2gjf s VAL 7 Cb -0.15 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 2gjf s VAL 7 CO -0.00 -0.17 0.06 -0.63 -0.31 0.00 0.00 175.10 174.04 2gjf s ILE 8 N 1.38 4.72 -0.37 -0.62 1.01 0.29 -1.32 121.20 126.29 2gjf s ILE 8 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2gjf s ILE 8 Cb -0.20 -3.07 0.11 0.00 0.01 0.00 0.00 42.46 39.32 2gjf s ILE 8 CO 0.02 0.50 0.15 -0.69 0.00 0.00 0.00 174.94 174.92 2gjf s VAL 9 N -1.04 1.42 0.37 2.92 1.01 -0.90 -0.14 120.40 124.05 2gjf s VAL 9 Ca 0.18 -2.10 -0.26 0.00 0.00 0.00 0.00 61.98 59.79 2gjf s VAL 9 Cb -0.12 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.14 2gjf s VAL 9 CO 0.07 -0.75 1.20 -2.16 0.00 0.00 0.00 175.10 173.47 2gjf s PRO 10 N 0.92 4.17 -0.11 2.72 0.04 -1.26 -4.49 135.00 136.99 2gjf s PRO 10 Ca 0.13 1.94 0.14 0.00 0.04 0.00 0.00 61.00 63.25 2gjf s PRO 10 Cb -0.21 -2.82 0.27 0.00 0.04 0.00 0.00 34.50 31.78 2gjf s PRO 10 CO -0.11 -0.25 1.14 0.25 0.04 0.00 0.00 177.00 178.06 2gjf n THR 11 N 0.35 1.44 -3.61 1.26 -2.24 -1.26 -0.04 114.28 110.19 2gjf n THR 11 Ca 0.03 -1.92 -0.02 0.00 -2.27 0.00 0.00 64.05 59.86 2gjf n THR 11 Cb 0.45 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.52 -0.12 0.45 3.42 2.47 -1.26 -4.97 114.94 112.41 2gjf s ASN 12 Ca 0.27 -0.07 0.15 0.00 0.42 0.00 0.00 52.86 53.63 2gjf s ASN 12 Cb 0.25 0.17 1.07 0.00 -1.45 0.00 0.00 41.25 41.29 2gjf s ASN 12 CO -0.01 -0.30 2.00 -0.08 -3.72 0.00 0.00 177.10 174.98 2gjf h GLU 13 N 2.00 0.35 0.26 0.43 4.57 -1.98 -1.31 114.58 118.89 2gjf h GLU 13 Ca -0.18 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 2gjf h GLU 13 Cb 1.19 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2gjf h GLU 13 CO 0.25 0.23 -0.12 1.49 -1.18 0.00 0.00 179.01 179.68 2gjf h GLU 14 N 0.36 -0.33 -0.19 1.92 4.57 -1.98 0.29 114.58 119.21 2gjf h GLU 14 Ca 0.25 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 2gjf h GLU 14 Cb 0.52 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 2gjf h GLU 14 CO -0.06 -0.18 0.08 1.96 -1.18 0.00 0.00 179.01 179.63 2gjf h GLN 15 N -0.41 0.28 -0.26 1.92 4.20 -1.81 -0.67 115.11 118.37 2gjf h GLN 15 Ca -0.04 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.63 2gjf h GLN 15 Cb 0.31 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2gjf h GLN 15 CO 0.06 0.33 0.16 0.28 -0.67 0.00 0.00 178.83 178.99 2gjf h VAL 16 N 0.16 1.05 -0.78 -0.54 2.07 -1.20 -0.86 116.25 116.15 2gjf h VAL 16 Ca 0.06 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2gjf h VAL 16 Cb 0.15 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2gjf h VAL 16 CO -0.01 0.06 0.42 0.00 0.02 0.00 0.00 177.57 178.06 2gjf h ALA 17 N 1.10 1.26 -0.25 1.67 0.00 -0.32 0.31 119.26 123.03 2gjf h ALA 17 Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2gjf h ALA 17 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2gjf h ALA 17 CO -0.03 0.59 0.04 0.35 0.00 0.00 0.00 179.25 180.21 2gjf h PHE 18 N 1.09 0.44 0.00 0.00 3.57 -0.69 0.16 116.94 121.51 2gjf h PHE 18 Ca 0.27 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 2gjf h PHE 18 Cb 0.04 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2gjf h PHE 18 CO 0.01 0.52 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.54 2gjf h LEU 19 N 0.22 -0.00 -1.77 0.59 4.07 -0.90 -1.30 115.31 116.22 2gjf h LEU 19 Ca 0.08 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 2gjf h LEU 19 Cb 0.32 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 2gjf h LEU 19 CO 0.00 0.28 -0.16 1.05 -1.08 0.00 0.00 178.44 178.53 2gjf h GLU 20 N -0.29 0.00 0.01 1.13 4.11 -0.94 -0.82 114.58 117.78 2gjf h GLU 20 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2gjf h GLU 20 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2gjf h GLU 20 CO 0.00 0.16 -0.00 0.00 0.07 0.00 0.00 179.01 179.24 2gjf h ALA 21 N 1.84 -0.01 -0.05 1.06 0.00 -0.45 -3.26 119.26 118.40 2gjf h ALA 21 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2gjf h ALA 21 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2gjf h ALA 21 CO 0.02 -0.18 -0.34 1.37 0.00 0.00 0.00 179.25 180.12 2gjf h LEU 22 N -0.65 0.09 -2.05 0.00 8.10 -1.07 -2.63 115.31 117.10 2gjf h LEU 22 Ca -0.00 -0.03 0.11 0.00 0.11 0.00 0.00 57.88 58.07 2gjf h LEU 22 Cb 0.64 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 40.82 2gjf h LEU 22 CO 0.00 0.43 0.35 0.00 -4.11 0.00 0.00 178.44 175.11 2gjf h ALA 23 N 1.58 2.18 0.00 0.17 0.00 -1.19 0.26 119.26 122.26 2gjf h ALA 23 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2gjf h ALA 23 Cb 0.64 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2gjf h ALA 23 CO 0.05 -0.55 -0.39 0.87 0.00 0.00 0.00 179.25 179.23 2gjf h LYS 24 N 0.00 0.00 -5.52 0.00 1.79 -1.54 -3.42 116.57 107.88 2gjf h LYS 24 Ca 0.19 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.18 2gjf h LYS 24 Cb 0.88 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 2gjf h LYS 24 CO -0.00 0.39 1.65 1.04 -1.08 0.00 0.00 179.45 181.44 2gjf n GLN 25 N -3.72 0.87 0.17 3.15 6.02 0.91 -4.76 117.38 120.02 2gjf n GLN 25 Ca -0.01 0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.13 2gjf n GLN 25 Cb 0.47 -3.05 0.47 0.00 1.02 0.00 0.00 30.24 29.16 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 17.85 0.00 0.76 1.08 3.58 -1.86 -2.91 116.42 134.93 2gjf h ASP 26 Ca -0.21 0.00 -0.01 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 1.19 0.00 -0.07 1.05 -2.88 0.00 0.00 179.24 178.53 2gjf h GLU 27 N 0.00 0.00 -0.08 0.28 4.11 -1.96 -3.00 114.58 113.92 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 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2gjf h GLU 27 CO 0.00 0.07 -0.16 -0.07 0.07 0.00 0.00 179.01 178.92 2gjf h LEU 28 N 0.00 0.28 1.46 3.06 3.38 -1.89 -3.47 115.31 118.12 2gjf h LEU 28 Ca -0.00 -0.56 -0.33 0.00 0.09 0.00 0.00 57.88 57.09 2gjf h LEU 28 Cb 0.47 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.16 2gjf h LEU 28 CO 0.01 0.79 -0.46 -3.20 0.09 0.00 0.00 178.44 175.67 2gjf n ASN 29 N -4.59 -5.07 -3.07 -0.43 5.15 -1.14 -5.00 115.26 101.12 2gjf n ASN 29 Ca -0.07 -0.13 -0.17 0.00 -0.60 0.00 0.00 54.58 53.61 2gjf n ASN 29 Cb 0.38 -4.03 0.12 0.00 -0.53 0.00 0.00 39.78 35.72 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 -4.15 -3.91 -3.84 1.20 3.72 -1.26 -5.02 117.46 104.20 2gjf n PHE 30 Ca -0.14 -0.64 -0.30 0.00 -0.05 0.00 0.00 57.45 56.32 2gjf n PHE 30 Cb 0.62 -0.59 -0.14 0.00 -0.94 0.00 0.00 39.48 38.43 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 4.18 0.24 4.37 1.01 -0.89 -4.99 116.67 116.95 2gjf s ASP 31 Ca 0.42 -2.23 -0.30 0.00 0.71 0.00 0.00 52.55 51.15 2gjf s ASP 31 Cb -0.02 -1.23 -0.09 0.00 1.01 0.00 0.00 42.92 42.60 2gjf s ASP 31 CO 0.30 -0.34 0.94 0.26 0.21 0.00 0.00 175.17 176.53 2gjf s TRP 32 N 0.83 3.99 -0.16 4.23 0.52 -1.26 -0.81 118.94 126.28 2gjf s TRP 32 Ca 0.13 1.91 0.03 0.00 0.02 0.00 0.00 56.10 58.20 2gjf s TRP 32 Cb -0.21 -2.98 -0.23 0.00 -1.15 0.00 0.00 33.47 28.91 2gjf s TRP 32 CO -0.10 0.46 0.21 1.04 0.02 0.00 0.00 176.95 178.58 2gjf n GLN 33 N 1.50 0.69 -3.87 4.98 1.13 -0.80 -4.98 117.38 116.02 2gjf n GLN 33 Ca -0.02 0.20 -0.11 0.00 -1.94 0.00 0.00 57.00 55.12 2gjf n GLN 33 Cb 0.47 -1.64 -0.10 0.00 0.11 0.00 0.00 30.24 29.08 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 -6.46 0.03 -0.16 1.08 2.20 -1.26 -5.02 114.94 105.35 2gjf s ASN 34 Ca -0.20 -0.21 -0.29 0.00 -0.94 0.00 0.00 52.86 51.21 2gjf s ASN 34 Cb 0.07 0.20 -0.03 0.00 -2.00 0.00 0.00 41.25 39.49 2gjf s ASN 34 CO 0.74 -0.37 1.57 -2.16 -2.94 0.00 0.00 177.10 173.94 2gjf s PRO 35 N -1.40 3.99 -1.13 3.55 0.04 -1.26 -4.79 135.00 134.00 2gjf s PRO 35 Ca -0.15 1.83 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 2gjf s PRO 35 Cb -0.08 -3.97 -0.10 0.00 0.04 0.00 0.00 34.50 30.39 2gjf s PRO 35 CO 0.02 -1.05 1.93 -0.35 0.04 0.00 0.00 177.00 177.58 2gjf n PRO 36 N 7.31 1.57 0.00 0.56 -0.04 -1.26 -4.26 135.00 138.89 2gjf n PRO 36 Ca 0.17 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 2gjf n PRO 36 Cb 0.44 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 7.58 0.00 -2.93 0.52 -1.04 -1.26 -4.26 114.28 112.89 2gjf n THR 37 Ca 0.45 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.05 2gjf n THR 37 Cb 0.46 -0.47 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.71 4.16 0.16 -2.82 8.01 -1.26 -5.02 118.70 120.21 2gjf s GLU 38 Ca 0.00 0.86 -0.31 0.00 0.01 0.00 0.00 54.97 55.54 2gjf s GLU 38 Cb 0.00 -3.65 -0.08 0.00 -4.31 0.00 0.00 34.13 26.09 2gjf s GLU 38 CO 0.00 -0.50 1.33 -1.25 0.01 0.00 0.00 175.26 174.85 2gjf s PRO 39 N 2.79 4.37 0.00 0.39 0.04 -1.26 -2.83 135.00 138.49 2gjf s PRO 39 Ca 0.33 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2gjf s PRO 39 Cb -0.15 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2gjf s PRO 39 CO 0.08 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.20 2gjf n GLY 40 N 2.86 0.66 3.79 0.56 0.00 0.95 -4.99 105.19 109.01 2gjf n GLY 40 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.70 4.03 -0.61 1.61 0.74 -1.13 -4.91 119.66 118.70 2gjf s GLN 41 Ca 0.00 0.25 -0.27 0.00 0.05 0.00 0.00 55.36 55.40 2gjf s GLN 41 Cb 0.00 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 2gjf s GLN 41 CO 0.00 0.48 1.86 -1.25 -0.55 0.00 0.00 175.29 175.83 2gjf s PRO 42 N -0.32 2.64 -0.33 1.67 0.04 -1.26 -4.37 135.00 133.06 2gjf s PRO 42 Ca 0.21 0.62 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 2gjf s PRO 42 Cb -0.15 -4.38 0.01 0.00 0.04 0.00 0.00 34.50 30.01 2gjf s PRO 42 CO 0.09 -2.72 0.84 0.08 0.04 0.00 0.00 177.00 175.33 2gjf s VAL 43 N 9.04 4.72 0.00 -0.36 1.01 0.80 -4.90 120.40 130.72 2gjf s VAL 43 Ca 0.67 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.69 2gjf s VAL 43 Cb -0.13 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 2gjf s VAL 43 CO 0.21 -0.35 0.40 -0.69 0.00 0.00 0.00 175.10 174.66 2gjf s VAL 44 N 3.13 5.06 -0.16 2.92 1.01 -1.26 -0.55 120.40 130.55 2gjf s VAL 44 Ca 0.34 0.77 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 2gjf s VAL 44 Cb -0.13 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.63 2gjf s VAL 44 CO 0.15 0.55 0.17 -0.63 0.00 0.00 0.00 175.10 175.34 2gjf s ILE 45 N -1.11 -0.25 -0.60 2.22 1.01 0.80 -1.91 121.20 121.36 2gjf s ILE 45 Ca 0.24 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 2gjf s ILE 45 Cb -0.16 -0.54 0.04 0.00 0.01 0.00 0.00 42.46 41.81 2gjf s ILE 45 CO 0.13 -0.12 1.07 -0.76 0.00 0.00 0.00 174.94 175.26 2gjf s LEU 46 N 2.27 3.80 0.16 2.97 1.02 0.01 -0.32 118.68 128.60 2gjf s LEU 46 Ca 0.05 -0.32 0.10 0.00 0.02 0.00 0.00 54.13 53.98 2gjf s LEU 46 Cb -0.15 -2.83 -0.04 0.00 0.02 0.00 0.00 46.19 43.19 2gjf s LEU 46 CO -0.09 -1.42 -0.22 0.27 0.02 0.00 0.00 176.35 174.90 2gjf s ILE 47 N 4.53 2.55 0.80 -0.59 -4.36 -0.05 -2.10 121.20 121.98 2gjf s ILE 47 Ca 0.34 -1.79 -0.11 0.00 -0.26 0.00 0.00 60.65 58.83 2gjf s ILE 47 Cb -0.11 -2.19 0.07 0.00 1.25 0.00 0.00 42.46 41.48 2gjf s ILE 47 CO 0.19 -0.01 1.09 -2.16 0.24 0.00 0.00 174.94 174.29 2gjf s PRO 48 N -2.41 2.03 0.25 0.37 0.04 -1.26 -2.32 135.00 131.71 2gjf s PRO 48 Ca 0.19 1.10 0.21 0.00 0.04 0.00 0.00 61.00 62.54 2gjf s PRO 48 Cb -0.09 -1.88 0.97 0.00 0.04 0.00 0.00 34.50 33.54 2gjf s PRO 48 CO 0.10 -1.78 1.64 0.43 0.04 0.00 0.00 177.00 177.43 2gjf n SER 49 N -3.61 0.55 -0.06 6.66 7.64 -1.26 -1.27 113.62 122.27 2gjf n SER 49 Ca 0.09 0.68 0.14 0.00 1.01 0.00 0.00 58.87 60.78 2gjf n SER 49 Cb 0.53 -0.78 0.57 0.00 -1.01 0.00 0.00 64.21 63.53 2gjf n SER 49 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2gjf n ASP 50 N -2.16 0.33 0.00 6.43 9.92 -1.26 -3.48 116.55 126.34 2gjf n ASP 50 Ca 0.01 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.00 2gjf n ASP 50 Cb 0.15 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 2gjf n ASP 50 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2gjf n MET 51 N -1.18 1.71 -0.18 -1.24 2.81 -0.40 -4.75 117.12 113.90 2gjf n MET 51 Ca 0.12 -1.09 -0.10 0.00 -1.81 0.00 0.00 57.70 54.82 2gjf n MET 51 Cb 0.29 -0.86 0.01 0.00 -0.71 0.00 0.00 33.22 31.95 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 0.78 1.27 -0.24 2.03 3.04 -1.51 -1.95 116.25 119.67 2gjf h VAL 52 Ca 0.00 -1.24 -0.15 0.00 -1.01 0.00 0.00 66.70 64.30 2gjf h VAL 52 Cb 0.57 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 2gjf h VAL 52 CO 0.00 0.43 -0.45 -0.33 -1.01 0.00 0.00 177.57 176.21 2gjf h GLU 53 N 0.84 0.61 0.19 4.17 5.08 -1.85 -0.57 114.58 123.05 2gjf h GLU 53 Ca 0.13 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2gjf h GLU 53 Cb 0.66 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2gjf h GLU 53 CO 0.05 0.94 -0.09 2.35 -1.00 0.00 0.00 179.01 181.25 2gjf h TRP 54 N 0.49 -0.24 -0.19 4.33 7.01 -1.84 -1.16 115.95 124.34 2gjf h TRP 54 Ca 0.03 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 2gjf h TRP 54 Cb 0.98 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 28.11 2gjf h TRP 54 CO 0.04 0.03 0.03 0.35 -2.79 0.00 0.00 178.44 176.10 2gjf h PHE 55 N -0.50 0.34 0.05 2.65 3.04 -1.39 0.13 116.94 121.26 2gjf h PHE 55 Ca -0.03 -0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.90 2gjf h PHE 55 Cb 0.38 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 2gjf h PHE 55 CO 0.00 0.47 -0.30 1.25 -2.02 0.00 0.00 178.31 177.71 2gjf h LEU 56 N 0.11 -0.89 -1.12 0.59 5.85 -1.12 0.24 115.31 118.97 2gjf h LEU 56 Ca 0.06 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2gjf h LEU 56 Cb 0.32 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2gjf h LEU 56 CO 0.00 -0.38 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.19 2gjf h GLU 57 N -0.48 0.37 -0.51 1.25 5.08 -1.21 -0.67 114.58 118.41 2gjf h GLU 57 Ca 0.05 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2gjf h GLU 57 Cb 0.54 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2gjf h GLU 57 CO -0.22 0.56 0.12 1.98 -1.00 0.00 0.00 179.01 180.46 2gjf h MET 58 N 0.34 0.82 -0.09 2.33 4.05 0.07 -0.34 114.93 122.11 2gjf h MET 58 Ca 0.06 -0.20 -0.22 0.00 -0.28 0.00 0.00 59.70 59.06 2gjf h MET 58 Cb 0.55 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2gjf h MET 58 CO 0.04 0.78 -0.83 -0.07 0.23 0.00 0.00 176.91 177.06 2gjf h LEU 59 N 0.71 0.75 -1.06 3.39 3.38 -0.33 -3.19 115.31 118.95 2gjf h LEU 59 Ca 0.16 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 2gjf h LEU 59 Cb 0.33 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2gjf h LEU 59 CO 0.00 1.30 -0.14 0.11 0.09 0.00 0.00 178.44 179.81 2gjf h LYS 60 N 0.40 0.51 -0.57 1.13 1.57 -1.01 -0.66 116.57 117.94 2gjf h LYS 60 Ca -0.06 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2gjf h LYS 60 Cb 1.44 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.64 2gjf h LYS 60 CO 0.16 0.64 0.22 0.00 -0.57 0.00 0.00 179.45 179.90 2gjf h ALA 61 N 1.39 0.73 0.00 3.86 0.00 -1.04 -1.43 119.26 122.76 2gjf h ALA 61 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2gjf h ALA 61 Cb 0.52 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2gjf h ALA 61 CO 0.03 -0.19 -0.46 0.87 0.00 0.00 0.00 179.25 179.50 2gjf h LYS 62 N 0.41 0.00 -0.83 0.00 1.79 -1.59 -3.48 116.57 112.86 2gjf h LYS 62 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2gjf h LYS 62 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2gjf h LYS 62 CO -0.28 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.61 2gjf n GLY 63 N 1.17 0.90 3.75 3.86 0.00 -0.36 -5.06 105.19 109.46 2gjf n GLY 63 Ca 0.02 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.70 5.14 -0.50 -0.61 1.01 -0.60 -5.02 121.20 117.92 2gjf s ILE 64 Ca 0.00 0.89 -0.27 0.00 0.00 0.00 0.00 60.65 61.27 2gjf s ILE 64 Cb 0.00 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2gjf s ILE 64 CO 0.00 0.40 1.80 -2.16 0.00 0.00 0.00 174.94 174.98 2gjf s PRO 65 N 0.13 2.94 0.33 2.79 0.04 -1.26 -4.70 135.00 135.27 2gjf s PRO 65 Ca 0.24 0.90 0.04 0.00 0.04 0.00 0.00 61.00 62.22 2gjf s PRO 65 Cb -0.15 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.06 2gjf s PRO 65 CO 0.11 -2.35 0.15 -0.59 0.04 0.00 0.00 177.00 174.36 2gjf s PHE 66 N 8.04 1.67 -0.10 0.56 -0.12 -1.26 -2.11 117.98 124.65 2gjf s PHE 66 Ca 0.71 -1.34 -0.09 0.00 -0.05 0.00 0.00 56.93 56.15 2gjf s PHE 66 Cb -0.16 -0.94 0.03 0.00 -0.63 0.00 0.00 43.02 41.32 2gjf s PHE 66 CO 0.26 -0.46 0.27 0.99 -0.05 0.00 0.00 175.22 176.22 2gjf s THR 67 N -3.50 -0.00 -0.11 -4.49 2.01 -0.43 -4.98 115.64 104.13 2gjf s THR 67 Ca 0.34 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 2gjf s THR 67 Cb 0.05 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 2gjf s THR 67 CO 0.17 0.00 0.09 -0.69 -0.69 0.00 0.00 174.62 173.51 2gjf s VAL 68 N 0.22 5.11 0.14 3.82 1.01 -1.26 -1.26 120.40 128.17 2gjf s VAL 68 Ca -0.01 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2gjf s VAL 68 Cb -0.02 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2gjf s VAL 68 CO -0.00 0.61 -0.14 -0.31 0.00 0.00 0.00 175.10 175.26 2gjf s TYR 69 N -0.92 1.47 0.04 5.22 1.51 0.42 -4.97 117.35 120.12 2gjf s TYR 69 Ca 0.14 -0.58 -0.16 0.00 -1.01 0.00 0.00 57.07 55.46 2gjf s TYR 69 Cb -0.12 -0.75 0.03 0.00 -0.11 0.00 0.00 41.96 41.01 2gjf s TYR 69 CO 0.03 0.18 0.36 0.54 -1.11 0.00 0.00 175.55 175.56 2gjf s VAL 70 N -2.42 0.07 -0.22 0.71 0.11 -1.26 -1.09 120.40 116.30 2gjf s VAL 70 Ca 0.13 -0.55 -0.36 0.00 -2.93 0.00 0.00 61.98 58.26 2gjf s VAL 70 Cb -0.03 -0.92 -0.13 0.00 -1.53 0.00 0.00 36.38 33.77 2gjf s VAL 70 CO 0.04 -0.30 1.91 -0.62 -3.33 0.00 0.00 175.10 172.79 2gjf n GLU 71 N 0.60 1.56 0.00 1.54 4.71 -1.25 -5.04 120.64 122.75 2gjf n GLU 71 Ca -0.19 0.54 0.13 0.00 -0.01 0.00 0.00 57.16 57.63 2gjf n GLU 71 Cb 0.59 -2.42 0.76 0.00 -1.01 0.00 0.00 31.44 29.36 2gjf n GLU 71 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31