#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnj n SER 2 N 0.00 0.00 -4.64 0.00 3.41 -1.26 -5.18 113.62 105.95 3gnj n SER 2 Ca 0.00 0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 58.56 3gnj n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3gnj n SER 2 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gnj s LEU 3 N -4.10 4.02 -0.01 1.04 1.43 -1.26 -4.91 118.68 114.89 3gnj s LEU 3 Ca 0.00 2.06 -0.28 0.00 -1.03 0.00 0.00 54.13 54.89 3gnj s LEU 3 Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3gnj s LEU 3 CO 0.00 -1.30 0.88 -1.61 0.23 0.00 0.00 176.35 174.55 3gnj s GLU 4 N 4.87 4.53 0.09 1.70 2.02 -1.13 -4.71 118.70 126.07 3gnj s GLU 4 Ca 0.82 1.23 -0.30 0.00 0.02 0.00 0.00 54.97 56.74 3gnj s GLU 4 Cb -0.33 -3.44 -0.06 0.00 0.10 0.00 0.00 34.13 30.41 3gnj s GLU 4 CO 0.34 0.04 1.06 0.21 0.02 0.00 0.00 175.26 176.93 3gnj s LYS 5 N 0.75 4.57 -0.05 1.61 2.20 -1.26 -0.55 119.74 127.02 3gnj s LYS 5 Ca 0.46 1.60 0.03 0.00 -0.36 0.00 0.00 55.97 57.70 3gnj s LYS 5 Cb -0.20 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 3gnj s LYS 5 CO 0.25 0.00 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.61 3gnj s LEU 6 N 0.37 2.89 0.72 5.43 1.43 0.22 -4.90 118.68 124.84 3gnj s LEU 6 Ca 0.52 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 3gnj s LEU 6 Cb -0.26 -1.62 0.11 0.00 0.03 0.00 0.00 46.19 44.45 3gnj s LEU 6 CO 0.31 0.34 1.00 1.51 0.23 0.00 0.00 176.35 179.74 3gnj s ASP 7 N -0.85 4.45 0.16 2.29 1.47 -1.26 -4.61 116.67 118.32 3gnj s ASP 7 Ca 0.12 -0.06 -0.16 0.00 1.18 0.00 0.00 52.55 53.64 3gnj s ASP 7 Cb -0.11 -0.42 0.08 0.00 -0.34 0.00 0.00 42.92 42.13 3gnj s ASP 7 CO 0.02 -1.79 1.75 0.74 0.68 0.00 0.00 175.17 176.56 3gnj h THR 8 N -0.57 0.88 -0.07 2.11 2.02 -1.95 -0.04 112.91 115.28 3gnj h THR 8 Ca -0.40 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 66.72 3gnj h THR 8 Cb 1.28 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 3gnj h THR 8 CO 0.46 0.05 -0.21 0.78 0.37 0.00 0.00 175.52 176.97 3gnj h ASN 9 N 0.27 -0.64 -0.64 4.18 -0.26 -2.00 -0.92 115.58 115.58 3gnj h ASN 9 Ca 0.17 0.10 -0.09 0.00 -0.56 0.00 0.00 56.30 55.92 3gnj h ASN 9 Cb 0.16 0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 3gnj h ASN 9 CO -0.19 -0.27 0.04 0.74 -1.06 0.00 0.00 177.43 176.69 3gnj h THR 10 N -0.30 1.27 -0.62 2.81 2.02 -1.89 -2.00 112.91 114.20 3gnj h THR 10 Ca 0.08 -1.12 0.10 0.00 0.77 0.00 0.00 66.41 66.24 3gnj h THR 10 Cb 0.41 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 3gnj h THR 10 CO -0.24 0.41 0.23 0.15 0.37 0.00 0.00 175.52 176.44 3gnj h PHE 11 N 1.01 0.40 -0.42 3.16 3.04 -0.74 -0.06 116.94 123.33 3gnj h PHE 11 Ca 0.19 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.04 3gnj h PHE 11 Cb 0.52 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 3gnj h PHE 11 CO 0.04 0.09 -0.24 0.93 -2.02 0.00 0.00 178.31 177.11 3gnj h GLU 12 N 0.41 0.87 -0.43 1.11 5.08 -1.06 -1.94 114.58 118.62 3gnj h GLU 12 Ca 0.32 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3gnj h GLU 12 Cb 0.40 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3gnj h GLU 12 CO -0.32 1.01 -0.01 0.37 -1.00 0.00 0.00 179.01 179.07 3gnj h GLN 13 N 0.75 0.76 0.04 2.33 4.15 -0.83 -1.12 115.11 121.18 3gnj h GLN 13 Ca 0.10 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 3gnj h GLN 13 Cb 0.78 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3gnj h GLN 13 CO 0.06 0.83 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.71 3gnj h LEU 14 N 0.60 -0.04 0.18 -2.39 3.38 -1.04 -2.03 115.31 113.96 3gnj h LEU 14 Ca 0.12 -0.55 -0.25 0.00 0.09 0.00 0.00 57.88 57.29 3gnj h LEU 14 Cb 0.50 0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.28 3gnj h LEU 14 CO 0.02 0.55 -1.09 0.40 0.09 0.00 0.00 178.44 178.41 3gnj h ILE 15 N -0.65 1.40 0.00 1.22 2.04 -1.38 -0.89 117.51 119.25 3gnj h ILE 15 Ca -0.00 -2.57 -0.40 0.00 1.00 0.00 0.00 64.86 62.89 3gnj h ILE 15 Cb 0.59 3.07 -0.06 0.00 -0.74 0.00 0.00 36.82 39.68 3gnj h ILE 15 CO 0.01 0.75 -2.20 -1.22 0.00 0.00 0.00 178.15 175.48 3gnj n TYR 16 N -3.95 0.30 0.10 1.37 4.01 -0.49 -2.66 117.16 115.85 3gnj n TYR 16 Ca -0.15 0.12 -0.04 0.00 -0.16 0.00 0.00 57.90 57.67 3gnj n TYR 16 Cb 0.93 -1.03 0.06 0.00 -0.31 0.00 0.00 39.34 38.99 3gnj n TYR 16 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3gnj h ASP 17 N -0.89 0.05 -0.00 7.72 5.19 -1.28 -3.35 116.42 123.87 3gnj h ASP 17 Ca -0.60 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 3gnj h ASP 17 Cb 1.57 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.07 3gnj h ASP 17 CO -0.33 0.80 -0.01 -0.62 -3.12 0.00 0.00 179.24 175.96 3gnj n GLU 18 N -3.65 2.02 -1.84 3.56 1.02 -0.77 -5.03 120.64 115.94 3gnj n GLU 18 Ca -0.01 -0.33 -0.14 0.00 -0.02 0.00 0.00 57.16 56.66 3gnj n GLU 18 Cb 0.74 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 31.30 3gnj n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gnj n GLY 19 N 0.40 0.63 3.67 0.62 0.00 -0.80 -4.92 105.19 104.79 3gnj n GLY 19 Ca 0.00 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 3gnj n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gnj n LYS 20 N -2.48 2.02 -2.77 1.61 3.00 -0.41 -0.26 118.16 118.86 3gnj n LYS 20 Ca -0.16 0.71 -0.43 0.00 -0.00 0.00 0.00 58.31 58.44 3gnj n LYS 20 Cb 0.55 -2.34 -0.03 0.00 0.00 0.00 0.00 35.03 33.21 3gnj n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gnj s ALA 21 N -0.36 3.50 0.29 3.14 0.00 -1.26 -3.73 121.76 123.34 3gnj s ALA 21 Ca 0.65 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.17 3gnj s ALA 21 Cb -0.63 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.01 3gnj s ALA 21 CO 0.53 -1.39 0.79 0.00 0.00 0.00 0.00 175.76 175.70 3gnj s LEU 23 N -3.00 2.54 0.00 0.00 0.05 -0.33 -0.99 118.68 116.95 3gnj s LEU 23 Ca 0.13 -0.62 0.00 0.00 0.05 0.00 0.00 54.13 53.69 3gnj s LEU 23 Cb -0.05 -1.42 0.00 0.00 -2.05 0.00 0.00 46.19 42.67 3gnj s LEU 23 CO 0.08 0.18 0.00 0.52 -0.55 0.00 0.00 176.35 176.58 3gnj n VAL 24 N 0.90 0.00 -3.65 1.48 0.31 0.19 -1.42 118.33 116.15 3gnj n VAL 24 Ca -0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.12 3gnj n VAL 24 Cb 0.53 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.40 3gnj n VAL 24 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3gnj s PHE 26 N -0.50 -1.16 0.32 3.52 0.08 0.29 -0.67 117.98 119.86 3gnj s PHE 26 Ca 0.00 2.15 -0.01 0.00 0.12 0.00 0.00 56.93 59.19 3gnj s PHE 26 Cb 0.00 0.68 -0.01 0.00 -0.57 0.00 0.00 43.02 43.12 3gnj s PHE 26 CO 0.00 -0.58 0.39 0.45 -0.10 0.00 0.00 175.22 175.38 3gnj s SER 27 N 2.29 0.96 0.05 1.36 0.15 0.65 -2.62 113.70 116.55 3gnj s SER 27 Ca -0.07 -1.51 -0.10 0.00 0.70 0.00 0.00 55.95 54.97 3gnj s SER 27 Cb -0.09 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 3gnj s SER 27 CO -0.19 -1.19 0.22 -0.60 1.20 0.00 0.00 173.24 172.69 3gnj s ARG 28 N -3.32 0.74 0.56 5.44 3.52 -1.26 -0.64 118.95 123.98 3gnj s ARG 28 Ca 0.33 -0.64 -0.18 0.00 -0.13 0.00 0.00 55.73 55.11 3gnj s ARG 28 Cb 0.01 0.31 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 3gnj s ARG 28 CO 0.21 -0.22 1.09 0.15 -0.81 0.00 0.00 175.30 175.71 3gnj s LYS 29 N -2.73 3.37 -1.32 5.12 1.02 -1.26 -3.85 119.74 120.09 3gnj s LYS 29 Ca -0.04 1.45 -0.03 0.00 0.02 0.00 0.00 55.97 57.37 3gnj s LYS 29 Cb -0.00 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 3gnj s LYS 29 CO -0.05 -0.80 0.85 0.09 -0.92 0.00 0.00 175.35 174.52 3gnj n ASN 30 N -1.52 -2.32 -4.16 2.83 4.13 -1.26 -4.98 115.26 107.99 3gnj n ASN 30 Ca 0.10 -0.74 -0.34 0.00 1.68 0.00 0.00 54.58 55.28 3gnj n ASN 30 Cb 0.52 -4.38 -0.14 0.00 -1.54 0.00 0.00 39.78 34.24 3gnj n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gnj h HIS 32 N 7.95 1.22 -0.37 0.00 3.86 -1.93 -1.62 115.15 124.25 3gnj h HIS 32 Ca -0.25 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 58.79 3gnj h HIS 32 Cb 1.07 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 3gnj h HIS 32 CO 0.60 0.91 -0.13 0.28 0.86 0.00 0.00 177.93 180.45 3gnj h VAL 33 N 1.18 1.28 -0.83 2.45 2.07 -1.95 -2.64 116.25 117.81 3gnj h VAL 33 Ca 0.27 -1.23 0.14 0.00 0.82 0.00 0.00 66.70 66.71 3gnj h VAL 33 Cb 0.19 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3gnj h VAL 33 CO -0.03 0.41 0.42 0.00 0.02 0.00 0.00 177.57 178.39 3gnj h GLN 35 N 0.60 0.00 0.04 0.00 1.08 -0.95 -1.08 115.11 114.81 3gnj h GLN 35 Ca 0.45 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.38 3gnj h GLN 35 Cb 0.63 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 3gnj h GLN 35 CO -0.36 0.06 -1.40 0.87 -0.95 0.00 0.00 178.83 177.04 3gnj h LYS 36 N 0.00 0.08 0.23 1.46 1.57 -1.04 -3.39 116.57 115.48 3gnj h LYS 36 Ca -0.00 -0.13 -0.33 0.00 -1.87 0.00 0.00 60.65 58.31 3gnj h LYS 36 Cb 0.12 0.05 0.04 0.00 0.08 0.00 0.00 32.23 32.52 3gnj h LYS 36 CO 0.01 0.87 -1.44 0.28 -0.57 0.00 0.00 179.45 178.60 3gnj h VAL 37 N 0.02 1.28 -0.40 0.50 2.07 -0.59 -3.33 116.25 115.80 3gnj h VAL 37 Ca -0.17 -2.65 0.08 0.00 0.82 0.00 0.00 66.70 64.78 3gnj h VAL 37 Cb 1.93 2.97 -0.08 0.00 -1.52 0.00 0.00 31.29 34.59 3gnj h VAL 37 CO 0.12 0.80 -0.13 0.74 0.02 0.00 0.00 177.57 179.12 3gnj h THR 38 N 0.18 0.53 -0.05 2.57 2.02 -1.41 -1.88 112.91 114.87 3gnj h THR 38 Ca -0.25 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3gnj h THR 38 Cb 2.13 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 3gnj h THR 38 CO 0.27 0.00 -0.12 -0.65 0.37 0.00 0.00 175.52 175.39 3gnj h PRO 39 N -0.04 0.07 0.27 6.66 0.11 -1.75 0.89 132.00 138.21 3gnj h PRO 39 Ca 0.20 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3gnj h PRO 39 Cb 0.34 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3gnj h PRO 39 CO -0.44 0.20 -0.13 0.28 -0.21 0.00 0.00 178.00 177.70 3gnj h VAL 40 N 0.07 0.73 -0.93 3.15 2.07 -1.46 -2.20 116.25 117.67 3gnj h VAL 40 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3gnj h VAL 40 Cb 0.26 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3gnj h VAL 40 CO 0.02 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.09 3gnj h LEU 41 N -0.37 1.13 -0.61 2.57 3.38 -0.83 -2.35 115.31 118.24 3gnj h LEU 41 Ca -0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3gnj h LEU 41 Cb 0.29 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3gnj h LEU 41 CO 0.06 0.88 0.20 -0.33 0.09 0.00 0.00 178.44 179.33 3gnj h GLU 42 N 1.29 0.94 -0.50 1.13 5.08 -0.73 -0.63 114.58 121.17 3gnj h GLU 42 Ca 0.33 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3gnj h GLU 42 Cb -0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3gnj h GLU 42 CO -0.06 0.83 0.23 1.49 -1.00 0.00 0.00 179.01 180.50 3gnj h GLU 43 N 0.87 0.72 -0.71 2.33 4.81 -1.27 -3.11 114.58 118.22 3gnj h GLU 43 Ca 0.20 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gnj h GLU 43 Cb 0.28 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3gnj h GLU 43 CO -0.01 0.62 0.44 -0.07 -0.73 0.00 0.00 179.01 179.26 3gnj h LEU 44 N 0.66 0.85 -0.79 1.64 4.07 -1.22 -3.22 115.31 117.29 3gnj h LEU 44 Ca 0.17 -0.06 0.19 0.00 0.08 0.00 0.00 57.88 58.26 3gnj h LEU 44 Cb 0.14 -0.21 -0.13 0.00 1.08 0.00 0.00 40.66 41.54 3gnj h LEU 44 CO -0.02 0.66 0.12 -0.09 -1.08 0.00 0.00 178.44 178.02 3gnj h ARG 45 N 0.97 0.17 -1.22 1.13 1.12 -1.04 0.41 114.38 115.92 3gnj h ARG 45 Ca 0.26 -0.01 0.36 0.00 -1.11 0.00 0.00 59.98 59.47 3gnj h ARG 45 Cb -0.05 -0.04 -0.09 0.00 -0.01 0.00 0.00 29.97 29.79 3gnj h ARG 45 CO -0.05 0.11 0.82 -0.07 -3.11 0.00 0.00 179.97 177.67 3gnj h LEU 46 N 0.18 0.24 0.00 3.80 3.38 -1.64 -0.69 115.31 120.58 3gnj h LEU 46 Ca 0.46 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3gnj h LEU 46 Cb 0.84 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3gnj h LEU 46 CO -0.63 -0.02 0.00 0.59 0.09 0.00 0.00 178.44 178.48 3gnj n ASN 47 N -4.48 0.00 -4.30 -0.43 3.02 0.14 -4.84 115.26 104.37 3gnj n ASN 47 Ca 0.30 -0.06 -0.27 0.00 -0.03 0.00 0.00 54.58 54.52 3gnj n ASN 47 Cb 1.21 -0.31 -0.14 0.00 -0.61 0.00 0.00 39.78 39.93 3gnj n ASN 47 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gnj s TYR 48 N -2.61 2.02 0.79 3.10 2.02 -0.27 -5.13 117.35 117.27 3gnj s TYR 48 Ca 0.25 -0.39 -0.12 0.00 -0.37 0.00 0.00 57.07 56.44 3gnj s TYR 48 Cb 0.19 -1.19 0.07 0.00 -0.40 0.00 0.00 41.96 40.63 3gnj s TYR 48 CO 0.43 0.13 1.14 -1.21 -1.57 0.00 0.00 175.55 174.47 3gnj s GLU 49 N -1.31 1.91 0.49 -0.62 2.02 -1.26 -4.92 118.70 115.01 3gnj s GLU 49 Ca 0.09 1.46 0.33 0.00 0.02 0.00 0.00 54.97 56.87 3gnj s GLU 49 Cb -0.09 -1.84 1.69 0.00 0.10 0.00 0.00 34.13 33.99 3gnj s GLU 49 CO 0.02 -1.95 2.00 0.93 0.02 0.00 0.00 175.26 176.29 3gnj h GLU 50 N -1.01 0.00 -0.20 1.61 4.39 -2.00 -1.80 114.58 115.56 3gnj h GLU 50 Ca -0.45 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.31 3gnj h GLU 50 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 3gnj h GLU 50 CO 0.48 0.00 0.20 0.66 -1.16 0.00 0.00 179.01 179.19 3gnj h SER 51 N 0.00 0.00 -3.61 1.42 4.64 -1.93 -3.35 113.55 110.72 3gnj h SER 51 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 3gnj h SER 51 Cb 0.12 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.98 3gnj h SER 51 CO 0.00 0.00 -0.50 0.12 -0.87 0.00 0.00 176.83 175.58 3gnj s PHE 52 N -4.72 3.22 0.36 4.77 5.36 -0.68 -4.31 117.98 121.99 3gnj s PHE 52 Ca -0.05 -0.65 -0.25 0.00 -0.96 0.00 0.00 56.93 55.02 3gnj s PHE 52 Cb 0.16 -2.45 -0.09 0.00 -0.34 0.00 0.00 43.02 40.29 3gnj s PHE 52 CO 0.58 -0.54 1.04 0.20 -1.46 0.00 0.00 175.22 175.04 3gnj s GLY 53 N 1.62 2.81 -0.26 13.12 0.00 -0.04 -4.85 107.32 119.73 3gnj s GLY 53 Ca 0.04 0.70 0.01 0.00 0.00 0.00 0.00 44.72 45.47 3gnj s GLY 53 CO 0.08 1.16 -0.03 -1.36 0.00 0.00 0.00 173.10 172.95 3gnj s PHE 54 N -1.56 2.60 0.24 1.90 0.08 -1.26 -1.19 117.98 118.79 3gnj s PHE 54 Ca 0.54 -1.98 0.08 0.00 0.12 0.00 0.00 56.93 55.69 3gnj s PHE 54 Cb -0.23 -1.81 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 3gnj s PHE 54 CO 0.29 -0.82 -0.11 0.71 -0.10 0.00 0.00 175.22 175.19 3gnj s TYR 55 N 1.32 1.86 0.07 0.36 2.02 -0.50 -2.83 117.35 119.64 3gnj s TYR 55 Ca -0.02 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 56.09 3gnj s TYR 55 Cb -0.19 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 3gnj s TYR 55 CO -0.08 0.36 -0.06 1.52 -1.57 0.00 0.00 175.55 175.72 3gnj s TYR 56 N -2.95 0.72 -0.04 2.71 -0.85 0.29 -4.33 117.35 112.90 3gnj s TYR 56 Ca 0.26 -0.77 0.03 0.00 -0.52 0.00 0.00 57.07 56.06 3gnj s TYR 56 Cb 0.01 -0.44 0.01 0.00 0.38 0.00 0.00 41.96 41.91 3gnj s TYR 56 CO 0.10 -0.16 -0.12 0.08 -1.52 0.00 0.00 175.55 173.92 3gnj s VAL 57 N -2.78 1.05 -0.33 -3.49 1.01 -1.26 -0.61 120.40 113.98 3gnj s VAL 57 Ca 0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 3gnj s VAL 57 Cb -0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 3gnj s VAL 57 CO -0.04 0.32 0.70 -0.62 0.00 0.00 0.00 175.10 175.47 3gnj s ASP 58 N 0.32 6.54 0.59 3.32 -1.08 -1.26 -0.25 116.67 124.85 3gnj s ASP 58 Ca -0.07 0.42 0.38 0.00 -0.52 0.00 0.00 52.55 52.75 3gnj s ASP 58 Cb -0.12 -2.36 1.80 0.00 -1.46 0.00 0.00 42.92 40.78 3gnj s ASP 58 CO 0.02 -0.59 2.14 -0.37 0.52 0.00 0.00 175.17 176.88 3gnj h VAL 59 N 5.63 0.00 0.13 1.11 -1.51 -1.19 0.24 116.25 120.66 3gnj h VAL 59 Ca -0.26 -0.28 -0.28 0.00 -1.23 0.00 0.00 66.70 64.65 3gnj h VAL 59 Cb 1.11 1.27 0.01 0.00 -2.13 0.00 0.00 31.29 31.54 3gnj h VAL 59 CO 0.85 0.00 -1.24 -0.33 -1.23 0.00 0.00 177.57 175.62 3gnj h GLU 60 N 0.00 0.34 0.17 5.19 4.39 -1.93 -3.15 114.58 119.59 3gnj h GLU 60 Ca 0.00 -0.54 -0.31 0.00 0.34 0.00 0.00 59.36 58.85 3gnj h GLU 60 Cb 0.29 0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3gnj h GLU 60 CO 0.00 1.24 -1.45 0.93 -1.16 0.00 0.00 179.01 178.57 3gnj h GLU 61 N 0.11 0.36 -2.18 2.33 5.08 -1.77 -3.38 114.58 115.13 3gnj h GLU 61 Ca -0.15 -0.62 -0.71 0.00 -1.00 0.00 0.00 59.36 56.88 3gnj h GLU 61 Cb 1.95 0.23 -0.34 0.00 0.50 0.00 0.00 28.75 31.09 3gnj h GLU 61 CO 0.21 1.27 0.28 0.39 -1.00 0.00 0.00 179.01 180.17 3gnj n GLU 62 N -3.58 4.21 -0.06 2.33 -0.58 0.77 -4.86 120.64 118.87 3gnj n GLU 62 Ca -0.15 -4.61 -0.08 0.00 -0.42 0.00 0.00 57.16 51.90 3gnj n GLU 62 Cb 1.06 -2.35 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 3gnj n GLU 62 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3gnj h LYS 63 N 3.50 0.18 -0.45 3.49 1.63 -1.74 -0.73 116.57 122.46 3gnj h LYS 63 Ca 0.37 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.11 3gnj h LYS 63 Cb 0.40 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3gnj h LYS 63 CO 1.05 0.12 0.06 1.15 -3.45 0.00 0.00 179.45 178.37 3gnj h THR 64 N 0.19 1.25 -0.29 1.00 2.02 -1.89 -0.34 112.91 114.85 3gnj h THR 64 Ca 0.11 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.38 3gnj h THR 64 Cb 0.08 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3gnj h THR 64 CO -0.12 0.32 0.13 0.25 0.37 0.00 0.00 175.52 176.48 3gnj h LEU 65 N 0.61 0.19 -0.19 2.58 5.85 -1.88 -2.06 115.31 120.41 3gnj h LEU 65 Ca 0.13 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3gnj h LEU 65 Cb 0.41 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3gnj h LEU 65 CO 0.01 0.14 0.09 0.15 -0.34 0.00 0.00 178.44 178.50 3gnj h PHE 66 N 0.28 0.27 -0.32 1.25 3.57 -0.92 -2.49 116.94 118.59 3gnj h PHE 66 Ca 0.12 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.70 3gnj h PHE 66 Cb 0.05 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3gnj h PHE 66 CO -0.10 0.28 0.25 1.96 -2.23 0.00 0.00 178.31 178.46 3gnj h GLN 67 N 0.18 0.00 -0.91 1.11 4.20 -0.90 -2.66 115.11 116.14 3gnj h GLN 67 Ca 0.07 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.88 3gnj h GLN 67 Cb 0.11 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.82 3gnj h GLN 67 CO -0.01 0.00 0.58 -0.09 -0.67 0.00 0.00 178.83 178.64 3gnj h ARG 68 N 0.00 0.87 -0.08 1.46 2.43 -0.89 -1.71 114.38 116.46 3gnj h ARG 68 Ca 0.15 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3gnj h ARG 68 Cb 0.64 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3gnj h ARG 68 CO -0.00 0.57 0.00 1.19 -1.51 0.00 0.00 179.97 180.22 3gnj n PHE 69 N -4.54 0.08 -3.66 2.20 3.72 -1.00 -4.95 117.46 109.31 3gnj n PHE 69 Ca 0.16 -0.04 -0.21 0.00 -0.05 0.00 0.00 57.45 57.31 3gnj n PHE 69 Cb 0.32 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.82 3gnj n PHE 69 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3gnj n SER 70 N 0.43 -0.16 -4.75 4.37 3.41 -0.64 -4.89 113.62 111.39 3gnj n SER 70 Ca 0.18 -0.76 -0.40 0.00 -0.26 0.00 0.00 58.87 57.62 3gnj n SER 70 Cb 0.39 -0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 3gnj n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gnj s LEU 71 N -5.80 4.54 -0.54 1.04 1.43 -1.26 -5.02 118.68 113.06 3gnj s LEU 71 Ca 0.07 2.22 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 3gnj s LEU 71 Cb -0.04 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.69 3gnj s LEU 71 CO 0.59 -0.17 0.50 -0.54 0.23 0.00 0.00 176.35 176.96 3gnj s LYS 72 N -1.13 2.98 0.00 1.70 -0.14 -1.26 -4.96 119.74 116.92 3gnj s LYS 72 Ca 0.46 -1.72 0.00 0.00 -1.36 0.00 0.00 55.97 53.35 3gnj s LYS 72 Cb -0.31 -4.29 0.00 0.00 -1.68 0.00 0.00 37.83 31.55 3gnj s LYS 72 CO 0.39 -1.33 0.00 0.41 -0.76 0.00 0.00 175.35 174.07 3gnj n GLY 73 N 5.23 1.71 3.49 -3.33 0.00 -1.26 -5.03 105.19 106.00 3gnj n GLY 73 Ca -0.14 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 3gnj n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gnj s VAL 74 N -2.11 2.76 0.59 1.61 -7.23 -1.26 -4.45 120.40 110.31 3gnj s VAL 74 Ca 0.00 -1.79 -0.14 0.00 -1.81 0.00 0.00 61.98 58.24 3gnj s VAL 74 Cb 0.00 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 3gnj s VAL 74 CO 0.00 -0.07 1.03 -2.16 -0.31 0.00 0.00 175.10 173.58 3gnj s PRO 75 N -2.63 3.55 0.01 4.82 0.04 -1.26 -4.78 135.00 134.75 3gnj s PRO 75 Ca 0.22 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.22 3gnj s PRO 75 Cb -0.09 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3gnj s PRO 75 CO 0.12 -0.61 -0.08 -0.65 0.04 0.00 0.00 177.00 175.82 3gnj s GLN 76 N -4.57 0.63 -0.10 4.56 -1.52 -1.08 0.65 119.66 118.23 3gnj s GLN 76 Ca 0.58 -0.45 0.04 0.00 -1.95 0.00 0.00 55.36 53.59 3gnj s GLN 76 Cb -0.12 -0.57 -0.00 0.00 -0.22 0.00 0.00 33.01 32.10 3gnj s GLN 76 CO 0.43 0.14 -0.23 -1.50 -0.25 0.00 0.00 175.29 173.89 3gnj s ILE 77 N -0.54 2.18 0.00 1.08 1.10 -1.26 0.10 121.20 123.86 3gnj s ILE 77 Ca -0.00 -0.98 0.05 0.00 -0.51 0.00 0.00 60.65 59.20 3gnj s ILE 77 Cb -0.05 -1.83 -0.03 0.00 0.15 0.00 0.00 42.46 40.69 3gnj s ILE 77 CO 0.00 0.56 -0.13 -0.76 -2.11 0.00 0.00 174.94 172.50 3gnj s LEU 78 N 0.26 2.84 -0.06 8.50 1.02 0.16 -4.24 118.68 127.16 3gnj s LEU 78 Ca -0.16 -0.26 0.04 0.00 0.02 0.00 0.00 54.13 53.78 3gnj s LEU 78 Cb -0.17 -1.63 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 3gnj s LEU 78 CO 0.08 0.29 -0.19 -0.31 0.02 0.00 0.00 176.35 176.24 3gnj s TYR 79 N -0.89 2.59 0.10 0.29 2.02 -0.17 0.57 117.35 121.86 3gnj s TYR 79 Ca 0.15 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 3gnj s TYR 79 Cb -0.11 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3gnj s TYR 79 CO 0.05 0.01 -0.09 -0.06 -1.57 0.00 0.00 175.55 173.88 3gnj s PHE 80 N -0.45 1.04 -0.28 2.71 0.08 -0.16 -0.57 117.98 120.34 3gnj s PHE 80 Ca 0.05 -0.71 -0.25 0.00 0.12 0.00 0.00 56.93 56.15 3gnj s PHE 80 Cb -0.12 -0.57 0.13 0.00 -0.57 0.00 0.00 43.02 41.89 3gnj s PHE 80 CO 0.02 -0.02 1.05 0.21 -0.10 0.00 0.00 175.22 176.38 3gnj s LYS 81 N -3.05 0.48 -1.23 0.44 2.20 -0.81 -1.27 119.74 116.51 3gnj s LYS 81 Ca 0.07 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 3gnj s LYS 81 Cb -0.01 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 3gnj s LYS 81 CO -0.01 -0.06 0.00 -0.25 -0.36 0.00 0.00 175.35 174.67 3gnj n ASP 82 N 2.25 -4.03 0.00 1.43 8.00 0.64 0.34 116.55 125.18 3gnj n ASP 82 Ca -0.13 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3gnj n ASP 82 Cb 0.56 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 3gnj n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gnj n GLY 83 N -0.68 0.95 3.88 0.44 0.00 -1.18 -4.89 105.19 103.71 3gnj n GLY 83 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3gnj n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gnj s GLU 84 N -0.02 3.79 -0.39 1.61 2.02 0.15 -4.93 118.70 120.93 3gnj s GLU 84 Ca 0.00 0.25 -0.12 0.00 0.02 0.00 0.00 54.97 55.11 3gnj s GLU 84 Cb 0.00 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.60 3gnj s GLU 84 CO 0.00 0.33 0.24 -0.47 0.02 0.00 0.00 175.26 175.38 3gnj s TYR 85 N -1.80 3.25 -0.29 1.61 6.04 -1.26 -1.92 117.35 122.98 3gnj s TYR 85 Ca 0.47 -0.92 0.22 0.00 0.04 0.00 0.00 57.07 56.88 3gnj s TYR 85 Cb -0.11 -2.55 0.10 0.00 -1.04 0.00 0.00 41.96 38.36 3gnj s TYR 85 CO 0.21 -0.66 1.22 0.87 -1.54 0.00 0.00 175.55 175.66 3gnj h LYS 86 N 8.50 0.00 0.00 4.97 1.79 -1.21 -3.50 116.57 127.13 3gnj h LYS 86 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3gnj h LYS 86 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3gnj h LYS 86 CO 0.70 0.02 0.00 0.41 -1.08 0.00 0.00 179.45 179.50 3gnj n GLY 87 N 1.16 0.64 0.00 3.86 0.00 -1.23 -4.98 105.19 104.64 3gnj n GLY 87 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3gnj n GLY 87 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gnj n LYS 88 N -0.72 0.00 -3.60 1.61 2.85 -1.26 -0.99 118.16 116.05 3gnj n LYS 88 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 3gnj n LYS 88 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 3gnj n LYS 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gnj s ALA 90 N -1.55 -1.89 0.00 0.58 0.00 -1.26 -4.99 121.76 112.65 3gnj s ALA 90 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.70 3gnj s ALA 90 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.17 3gnj s ALA 90 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3gnj n GLY 91 N 1.70 -0.93 3.72 0.00 0.00 0.21 -4.83 105.19 105.06 3gnj n GLY 91 Ca -0.13 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3gnj n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gnj n ASP 92 N -0.76 3.68 -4.28 1.61 2.03 -1.26 -4.79 116.55 112.78 3gnj n ASP 92 Ca 0.00 1.10 -0.24 0.00 0.52 0.00 0.00 54.79 56.17 3gnj n ASP 92 Cb 0.00 -1.54 -0.13 0.00 -0.72 0.00 0.00 41.12 38.73 3gnj n ASP 92 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3gnj s VAL 93 N 0.58 1.71 0.32 5.18 -7.23 -1.26 -5.13 120.40 114.57 3gnj s VAL 93 Ca 0.71 -1.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.35 3gnj s VAL 93 Cb -0.54 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 3gnj s VAL 93 CO 0.41 -0.01 0.58 -1.61 -0.31 0.00 0.00 175.10 174.15 3gnj s GLU 94 N -1.78 3.60 0.43 4.82 8.01 -1.26 -4.93 118.70 127.58 3gnj s GLU 94 Ca 0.07 -0.04 0.10 0.00 0.01 0.00 0.00 54.97 55.11 3gnj s GLU 94 Cb -0.10 -2.62 0.94 0.00 -4.31 0.00 0.00 34.13 28.04 3gnj s GLU 94 CO 0.04 0.16 2.03 0.38 0.01 0.00 0.00 175.26 177.88 3gnj h ASP 95 N 1.36 0.25 0.35 -0.19 -0.00 -2.00 -2.56 116.42 113.63 3gnj h ASP 95 Ca -0.48 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.03 56.40 3gnj h ASP 95 Cb 1.20 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 40.45 3gnj h ASP 95 CO 0.65 0.26 -0.54 -0.78 -0.00 0.00 0.00 179.24 178.83 3gnj h ASP 96 N 0.28 0.24 -0.10 4.15 3.58 -1.99 -0.50 116.42 122.08 3gnj h ASP 96 Ca 0.07 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 3gnj h ASP 96 Cb 0.11 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 3gnj h ASP 96 CO -0.00 0.73 0.05 -0.33 -2.88 0.00 0.00 179.24 176.81 3gnj h GLU 97 N 0.17 0.14 0.56 0.28 5.08 -1.87 -1.48 114.58 117.46 3gnj h GLU 97 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3gnj h GLU 97 Cb 1.01 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.24 3gnj h GLU 97 CO 0.08 0.19 -0.27 0.28 -1.00 0.00 0.00 179.01 178.29 3gnj h VAL 98 N 0.06 0.43 -0.54 3.13 2.07 -1.43 -3.19 116.25 116.79 3gnj h VAL 98 Ca 0.03 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.54 3gnj h VAL 98 Cb 0.09 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.23 3gnj h VAL 98 CO -0.01 0.02 -0.26 -0.33 0.02 0.00 0.00 177.57 177.01 3gnj h GLU 99 N -0.82 -0.13 -1.38 1.57 5.08 -1.09 0.03 114.58 117.84 3gnj h GLU 99 Ca -0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gnj h GLU 99 Cb 0.60 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3gnj h GLU 99 CO 0.13 -0.08 0.00 0.94 -1.00 0.00 0.00 179.01 178.99 3gnj n GLN 100 N -5.43 0.00 0.00 2.33 -0.06 -0.56 -1.42 117.38 112.25 3gnj n GLN 100 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 3gnj n GLN 100 Cb 0.34 -1.28 0.00 0.00 -4.06 0.00 0.00 30.24 25.24 3gnj n GLN 100 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3gnj n ILE 102 N 0.81 0.00 -0.33 1.69 5.41 -0.00 -1.54 119.36 125.40 3gnj n ILE 102 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3gnj n ILE 102 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.01 3gnj n ILE 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gnj h ALA 103 N 0.00 1.13 -0.50 -1.39 0.00 -1.50 -1.28 119.26 115.72 3gnj h ALA 103 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3gnj h ALA 103 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3gnj h ALA 103 CO 0.00 0.61 -0.19 -0.44 0.00 0.00 0.00 179.25 179.23 3gnj h ASP 104 N 1.22 1.03 -0.63 0.00 3.32 -1.56 -2.87 116.42 116.94 3gnj h ASP 104 Ca 0.31 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3gnj h ASP 104 Cb -0.02 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3gnj h ASP 104 CO -0.06 1.18 0.38 0.58 -1.72 0.00 0.00 179.24 179.61 3gnj h VAL 105 N 0.88 1.18 0.00 -1.35 2.07 -1.75 -3.13 116.25 114.16 3gnj h VAL 105 Ca 0.12 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3gnj h VAL 105 Cb 0.77 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gnj h VAL 105 CO 0.06 0.19 0.00 0.18 0.02 0.00 0.00 177.57 178.02 3gnj n LEU 106 N -4.60 0.00 -0.58 2.57 4.77 -0.51 -4.99 117.00 113.66 3gnj n LEU 106 Ca 0.05 0.47 0.14 0.00 -0.03 0.00 0.00 56.01 56.63 3gnj n LEU 106 Cb 0.05 -0.47 0.44 0.00 -2.33 0.00 0.00 43.42 41.11 3gnj n LEU 106 CO 0.36 -0.09 0.82 -1.84 -1.33 0.00 0.00 177.39 175.31