#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnj n ASN -1 N 0.00 -2.05 0.00 -3.46 2.85 -1.26 -5.32 115.26 106.01 3gnj n ASN -1 Ca 0.00 -2.40 0.00 0.00 -0.11 0.00 0.00 54.58 52.07 3gnj n ASN -1 Cb 0.00 3.41 0.00 0.00 1.24 0.00 0.00 39.78 44.43 3gnj n ASN -1 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gnj n ALA 0 N -0.81 0.00 -1.83 5.20 0.00 -1.26 -5.18 120.51 116.63 3gnj n ALA 0 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 3gnj n ALA 0 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 3gnj n ALA 0 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gnj n SER 2 N 0.00 -0.32 -4.78 0.00 3.41 -1.26 -5.00 113.62 105.67 3gnj n SER 2 Ca 0.00 -1.10 -0.37 0.00 -0.26 0.00 0.00 58.87 57.14 3gnj n SER 2 Cb 0.00 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.00 4.15 0.04 1.04 1.43 -1.26 -4.98 118.68 119.10 3gnj s LEU 3 Ca 0.00 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 3gnj s LEU 3 Cb 0.00 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 41.98 3gnj s LEU 3 CO 0.00 -0.52 1.83 -0.70 0.23 0.00 0.00 176.35 177.20 3gnj s GLU 4 N -2.46 4.16 -0.29 1.70 2.12 -1.26 -4.81 118.70 117.86 3gnj s GLU 4 Ca 0.58 2.48 -0.19 0.00 0.36 0.00 0.00 54.97 58.20 3gnj s GLU 4 Cb -0.23 -3.95 -0.02 0.00 0.26 0.00 0.00 34.13 30.19 3gnj s GLU 4 CO 0.29 -0.88 0.57 0.21 -0.54 0.00 0.00 175.26 174.91 3gnj s LYS 5 N 3.82 3.96 -0.01 4.30 2.20 -1.26 -1.53 119.74 131.21 3gnj s LYS 5 Ca 0.82 0.29 -0.11 0.00 -0.36 0.00 0.00 55.97 56.61 3gnj s LYS 5 Cb -0.41 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.16 3gnj s LYS 5 CO 0.37 -0.48 0.32 -0.51 -0.36 0.00 0.00 175.35 174.69 3gnj s LEU 6 N 2.46 4.42 0.54 5.43 1.43 0.38 -4.96 118.68 128.37 3gnj s LEU 6 Ca 0.23 0.75 0.09 0.00 -1.03 0.00 0.00 54.13 54.17 3gnj s LEU 6 Cb -0.15 -2.54 0.06 0.00 0.03 0.00 0.00 46.19 43.58 3gnj s LEU 6 CO 0.11 0.31 0.68 1.51 0.23 0.00 0.00 176.35 179.18 3gnj s ASP 7 N -1.29 5.12 0.21 2.29 1.47 -1.26 -4.64 116.67 118.57 3gnj s ASP 7 Ca 0.24 -0.83 -0.09 0.00 1.18 0.00 0.00 52.55 53.04 3gnj s ASP 7 Cb -0.15 0.11 0.27 0.00 -0.34 0.00 0.00 42.92 42.82 3gnj s ASP 7 CO 0.12 -1.18 1.76 0.74 0.68 0.00 0.00 175.17 177.30 3gnj h THR 8 N 0.38 0.81 0.16 2.11 2.02 -1.97 -1.22 112.91 115.20 3gnj h THR 8 Ca -0.33 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3gnj h THR 8 Cb 1.29 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3gnj h THR 8 CO 0.45 0.08 -0.14 -1.13 0.37 0.00 0.00 175.52 175.15 3gnj h ASN 9 N 0.46 -0.37 0.38 4.18 -1.24 -1.99 0.11 115.58 117.10 3gnj h ASN 9 Ca 0.30 0.03 -0.11 0.00 0.71 0.00 0.00 56.30 57.23 3gnj h ASN 9 Cb 0.34 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 3gnj h ASN 9 CO -0.28 -0.22 -0.49 0.74 -1.29 0.00 0.00 177.43 175.90 3gnj h THR 10 N -0.32 1.35 0.27 -3.57 2.02 -1.93 -1.26 112.91 109.46 3gnj h THR 10 Ca -0.00 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.47 3gnj h THR 10 Cb 0.30 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3gnj h THR 10 CO -0.03 0.50 -0.13 0.15 0.37 0.00 0.00 175.52 176.38 3gnj h PHE 11 N 0.11 -0.33 -0.17 3.16 3.04 -0.93 -0.64 116.94 121.18 3gnj h PHE 11 Ca 0.00 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.00 3gnj h PHE 11 Cb 0.90 0.11 -0.06 0.00 2.56 0.00 0.00 35.95 39.46 3gnj h PHE 11 CO 0.01 -0.19 -0.27 0.93 -2.02 0.00 0.00 178.31 176.78 3gnj h GLU 12 N -0.38 -0.30 -0.50 1.11 5.08 -0.56 0.21 114.58 119.23 3gnj h GLU 12 Ca -0.04 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3gnj h GLU 12 Cb 0.29 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 3gnj h GLU 12 CO 0.06 -0.20 -0.39 1.96 -1.00 0.00 0.00 179.01 179.44 3gnj h GLN 13 N -0.31 -0.23 0.02 2.33 4.20 -1.18 -0.27 115.11 119.67 3gnj h GLN 13 Ca 0.11 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3gnj h GLN 13 Cb 0.48 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.33 3gnj h GLN 13 CO -0.35 -0.15 -0.36 -0.07 -0.67 0.00 0.00 178.83 177.23 3gnj h LEU 14 N -0.24 0.28 0.04 1.46 3.38 -0.81 0.44 115.31 119.86 3gnj h LEU 14 Ca 0.18 -0.83 -0.09 0.00 0.09 0.00 0.00 57.88 57.23 3gnj h LEU 14 Cb 0.56 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.23 3gnj h LEU 14 CO -0.63 1.08 -0.37 0.40 0.09 0.00 0.00 178.44 179.01 3gnj h ILE 15 N -0.49 1.61 0.00 1.22 5.03 -1.03 -0.63 117.51 123.22 3gnj h ILE 15 Ca -0.05 -2.26 -0.08 0.00 -0.12 0.00 0.00 64.86 62.34 3gnj h ILE 15 Cb 1.15 3.09 -0.01 0.00 -3.03 0.00 0.00 36.82 38.02 3gnj h ILE 15 CO 0.07 0.62 -0.54 1.88 -0.68 0.00 0.00 178.15 179.49 3gnj h TYR 16 N -0.60 0.00 -0.13 1.37 0.05 -1.21 -3.07 116.97 113.39 3gnj h TYR 16 Ca -0.06 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.50 3gnj h TYR 16 Cb 1.22 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.97 3gnj h TYR 16 CO 0.21 0.80 -0.81 -0.44 -1.05 0.00 0.00 178.16 176.88 3gnj h ASP 17 N -1.00 0.87 0.38 3.88 3.32 -0.87 -3.27 116.42 119.74 3gnj h ASP 17 Ca -0.12 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.34 3gnj h ASP 17 Cb 0.84 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3gnj h ASP 17 CO -0.07 1.38 -1.02 -0.62 -1.72 0.00 0.00 179.24 177.19 3gnj n GLU 18 N -3.91 0.25 -3.46 3.56 1.02 0.10 -4.98 120.64 113.22 3gnj n GLU 18 Ca -0.07 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.80 3gnj n GLU 18 Cb 0.76 -1.58 0.03 0.00 -0.02 0.00 0.00 31.44 30.63 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 1.39 -0.51 3.76 0.62 0.00 -1.08 -4.92 105.19 104.45 3gnj n GLY 19 Ca 0.02 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3gnj n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gnj s LYS 20 N -6.15 4.11 -0.36 1.61 2.20 -0.27 -0.95 119.74 119.93 3gnj s LYS 20 Ca 0.48 2.59 -0.29 0.00 -0.36 0.00 0.00 55.97 58.39 3gnj s LYS 20 Cb -0.23 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3gnj s LYS 20 CO 0.59 -0.60 1.16 0.00 -0.36 0.00 0.00 175.35 176.14 3gnj s ALA 21 N -0.48 3.36 0.30 3.13 0.00 -1.26 -4.13 121.76 122.68 3gnj s ALA 21 Ca 0.59 -0.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.23 3gnj s ALA 21 Cb -0.48 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 18.90 3gnj s ALA 21 CO 0.55 -1.80 0.72 0.00 0.00 0.00 0.00 175.76 175.23 3gnj s LEU 23 N -2.96 2.34 0.00 0.00 0.05 -0.20 -1.36 118.68 116.55 3gnj s LEU 23 Ca 0.13 -0.74 0.00 0.00 0.05 0.00 0.00 54.13 53.57 3gnj s LEU 23 Cb -0.05 -0.91 0.00 0.00 -2.05 0.00 0.00 46.19 43.17 3gnj s LEU 23 CO 0.08 0.05 0.00 0.52 -0.55 0.00 0.00 176.35 176.45 3gnj n VAL 24 N 0.85 0.00 -3.58 1.48 0.31 0.32 -0.73 118.33 116.99 3gnj n VAL 24 Ca -0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.14 3gnj n VAL 24 Cb 0.54 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.43 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 -0.78 -1.08 0.32 3.52 0.08 0.23 -0.90 117.98 119.36 3gnj s PHE 26 Ca 0.00 1.91 -0.08 0.00 0.12 0.00 0.00 56.93 58.88 3gnj s PHE 26 Cb 0.00 0.65 0.01 0.00 -0.57 0.00 0.00 43.02 43.11 3gnj s PHE 26 CO 0.00 -0.54 0.53 0.45 -0.10 0.00 0.00 175.22 175.56 3gnj s SER 27 N 2.56 0.41 0.22 1.36 0.15 0.00 -2.01 113.70 116.39 3gnj s SER 27 Ca -0.06 -1.24 0.12 0.00 0.70 0.00 0.00 55.95 55.47 3gnj s SER 27 Cb -0.09 0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 3gnj s SER 27 CO -0.18 -1.31 -0.23 -0.60 1.20 0.00 0.00 173.24 172.12 3gnj s ARG 28 N -3.26 1.57 0.15 5.44 3.52 -1.26 -0.74 118.95 124.37 3gnj s ARG 28 Ca 0.25 -1.60 -0.14 0.00 -0.13 0.00 0.00 55.73 54.11 3gnj s ARG 28 Cb -0.01 -1.82 0.03 0.00 -1.56 0.00 0.00 34.95 31.58 3gnj s ARG 28 CO 0.15 0.38 1.70 0.87 -0.81 0.00 0.00 175.30 177.59 3gnj h LYS 29 N 2.93 0.71 -0.01 5.12 1.57 -2.00 -3.28 116.57 121.61 3gnj h LYS 29 Ca -0.45 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3gnj h LYS 29 Cb 1.22 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3gnj h LYS 29 CO 0.51 0.63 -0.14 0.09 -0.57 0.00 0.00 179.45 179.98 3gnj n ASN 30 N -4.58 1.57 -4.65 0.86 3.02 -1.26 -4.91 115.26 105.32 3gnj n ASN 30 Ca 0.01 -1.35 -0.42 0.00 -0.03 0.00 0.00 54.58 52.79 3gnj n ASN 30 Cb 0.15 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 3gnj n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gnj h HIS 32 N 10.81 -0.38 -0.90 0.00 2.76 -1.93 -0.74 115.15 124.77 3gnj h HIS 32 Ca -0.42 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 57.80 3gnj h HIS 32 Cb 1.20 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 30.27 3gnj h HIS 32 CO 0.92 -0.22 0.58 0.28 -1.30 0.00 0.00 177.93 178.19 3gnj h VAL 33 N -0.25 1.12 -0.78 5.26 2.07 -1.96 -2.07 116.25 119.64 3gnj h VAL 33 Ca 0.05 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3gnj h VAL 33 Cb 0.31 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 3gnj h VAL 33 CO -0.13 0.20 0.48 0.00 0.02 0.00 0.00 177.57 178.14 3gnj h GLN 35 N 0.92 0.00 0.00 0.00 4.20 -0.44 -0.14 115.11 119.64 3gnj h GLN 35 Ca 0.33 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.85 3gnj h GLN 35 Cb 0.09 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3gnj h GLN 35 CO -0.14 0.00 -0.91 -0.22 -0.67 0.00 0.00 178.83 176.89 3gnj h LYS 36 N 0.00 0.00 0.00 1.46 3.64 -1.00 -3.34 116.57 117.33 3gnj h LYS 36 Ca 0.09 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.21 3gnj h LYS 36 Cb 0.36 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3gnj h LYS 36 CO -0.00 0.91 -1.37 0.28 -2.27 0.00 0.00 179.45 177.00 3gnj h VAL 37 N 0.00 1.23 -0.41 2.00 2.07 -0.44 -3.36 116.25 117.33 3gnj h VAL 37 Ca -0.01 -3.01 0.08 0.00 0.82 0.00 0.00 66.70 64.59 3gnj h VAL 37 Cb 1.68 2.60 -0.08 0.00 -1.52 0.00 0.00 31.29 33.97 3gnj h VAL 37 CO 0.12 0.70 -0.11 0.74 0.02 0.00 0.00 177.57 179.04 3gnj h THR 38 N 0.00 0.58 0.00 2.57 2.02 -1.18 -2.36 112.91 114.54 3gnj h THR 38 Ca -0.16 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3gnj h THR 38 Cb 1.89 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 3gnj h THR 38 CO 0.10 0.00 -0.28 -0.65 0.37 0.00 0.00 175.52 175.06 3gnj h PRO 39 N -0.00 0.00 -0.41 6.66 0.11 -1.75 -0.99 132.00 135.62 3gnj h PRO 39 Ca 0.20 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.16 3gnj h PRO 39 Cb 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3gnj h PRO 39 CO -0.43 0.28 -0.32 0.28 -0.21 0.00 0.00 178.00 177.60 3gnj h VAL 40 N 0.00 1.27 -0.17 3.15 2.07 -1.61 -0.96 116.25 120.00 3gnj h VAL 40 Ca -0.00 -1.50 -0.20 0.00 0.82 0.00 0.00 66.70 65.82 3gnj h VAL 40 Cb 0.54 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3gnj h VAL 40 CO 0.04 0.50 -0.69 -0.07 0.02 0.00 0.00 177.57 177.37 3gnj h LEU 41 N 0.76 0.82 -0.29 2.57 3.38 -1.06 -1.79 115.31 119.71 3gnj h LEU 41 Ca 0.07 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3gnj h LEU 41 Cb 0.91 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3gnj h LEU 41 CO 0.08 1.29 0.17 -0.33 0.09 0.00 0.00 178.44 179.74 3gnj h GLU 42 N 0.51 0.34 -0.59 1.13 5.08 -1.15 -1.08 114.58 118.82 3gnj h GLU 42 Ca -0.03 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3gnj h GLU 42 Cb 1.30 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 3gnj h GLU 42 CO 0.14 0.23 0.36 1.49 -1.00 0.00 0.00 179.01 180.22 3gnj h GLU 43 N 0.35 0.68 -0.68 2.33 4.57 -1.13 -2.93 114.58 117.77 3gnj h GLU 43 Ca 0.12 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3gnj h GLU 43 Cb -0.00 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 3gnj h GLU 43 CO -0.05 0.45 0.26 -0.07 -1.18 0.00 0.00 179.01 178.41 3gnj h LEU 44 N 0.70 0.92 -1.36 1.64 3.38 -1.20 -2.72 115.31 116.67 3gnj h LEU 44 Ca 0.24 -0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.26 3gnj h LEU 44 Cb 0.04 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 3gnj h LEU 44 CO -0.11 0.83 0.59 -0.09 0.09 0.00 0.00 178.44 179.75 3gnj h ARG 45 N 0.98 0.54 0.00 1.13 2.43 -1.00 -0.46 114.38 118.00 3gnj h ARG 45 Ca 0.23 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3gnj h ARG 45 Cb 0.20 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3gnj h ARG 45 CO -0.02 0.36 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.46 3gnj h LEU 46 N 0.56 0.00 -0.23 3.80 4.07 -1.47 -2.51 115.31 119.53 3gnj h LEU 46 Ca 0.47 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.37 3gnj h LEU 46 Cb 0.96 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 3gnj h LEU 46 CO -0.22 0.27 -0.32 0.78 -1.08 0.00 0.00 178.44 177.88 3gnj h ASN 47 N 0.00 0.00 0.00 -0.43 2.35 -1.17 -3.35 115.58 112.98 3gnj h ASN 47 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3gnj h ASN 47 Cb 0.58 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.87 3gnj h ASN 47 CO 0.03 0.32 -0.57 -1.22 -1.65 0.00 0.00 177.43 174.34 3gnj n TYR 48 N -3.22 0.00 0.00 1.19 4.01 -1.01 -5.03 117.16 113.10 3gnj n TYR 48 Ca 0.02 -1.24 0.00 0.00 -0.16 0.00 0.00 57.90 56.52 3gnj n TYR 48 Cb 0.62 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 3gnj n TYR 48 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3gnj n GLU 49 N -0.80 0.00 0.08 -0.72 4.07 -0.98 -2.22 120.64 120.06 3gnj n GLU 49 Ca 0.16 0.15 -0.04 0.00 -0.06 0.00 0.00 57.16 57.36 3gnj n GLU 49 Cb 0.78 -0.42 -0.08 0.00 -0.06 0.00 0.00 31.44 31.66 3gnj n GLU 49 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3gnj h GLU 50 N 0.00 0.00 -0.10 5.31 3.07 -1.96 -3.32 114.58 117.59 3gnj h GLU 50 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3gnj h GLU 50 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gnj h GLU 50 CO 0.00 0.81 0.24 0.66 -1.40 0.00 0.00 179.01 179.32 3gnj h SER 51 N 0.00 0.00 -3.15 1.42 4.64 -1.89 -3.43 113.55 111.13 3gnj h SER 51 Ca -0.03 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 3gnj h SER 51 Cb 1.67 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.53 3gnj h SER 51 CO 0.11 0.00 -0.12 0.12 -0.87 0.00 0.00 176.83 176.06 3gnj s PHE 52 N -4.32 -0.84 0.36 4.77 5.36 -0.94 -4.82 117.98 117.55 3gnj s PHE 52 Ca -0.04 1.73 -0.11 0.00 -0.96 0.00 0.00 56.93 57.54 3gnj s PHE 52 Cb 0.12 0.45 -0.07 0.00 -0.34 0.00 0.00 43.02 43.18 3gnj s PHE 52 CO 0.41 -0.43 0.73 0.20 -1.46 0.00 0.00 175.22 174.67 3gnj s GLY 53 N 1.45 2.07 -0.31 13.12 0.00 -0.06 -4.75 107.32 118.85 3gnj s GLY 53 Ca -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 3gnj s GLY 53 CO -0.16 0.03 0.11 -1.36 0.00 0.00 0.00 173.10 171.72 3gnj s PHE 54 N -2.20 1.35 0.42 1.90 0.08 -1.26 -1.03 117.98 117.24 3gnj s PHE 54 Ca 0.51 -1.54 0.07 0.00 0.12 0.00 0.00 56.93 56.09 3gnj s PHE 54 Cb -0.10 -1.50 -0.06 0.00 -0.57 0.00 0.00 43.02 40.79 3gnj s PHE 54 CO 0.26 -0.86 0.13 0.71 -0.10 0.00 0.00 175.22 175.36 3gnj s TYR 55 N 1.69 2.52 -0.03 0.36 2.02 0.09 -4.13 117.35 119.87 3gnj s TYR 55 Ca 0.10 -0.64 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3gnj s TYR 55 Cb -0.17 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 3gnj s TYR 55 CO -0.27 0.25 -0.02 -0.47 -1.57 0.00 0.00 175.55 173.47 3gnj s TYR 56 N -2.65 0.44 -0.15 2.71 5.04 -0.58 -4.23 117.35 117.93 3gnj s TYR 56 Ca 0.37 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.95 3gnj s TYR 56 Cb 0.06 -0.44 0.01 0.00 0.35 0.00 0.00 41.96 41.93 3gnj s TYR 56 CO 0.20 -0.12 -0.19 0.08 -1.34 0.00 0.00 175.55 174.18 3gnj s VAL 57 N 0.75 2.29 -0.40 3.14 1.01 -1.26 -0.47 120.40 125.45 3gnj s VAL 57 Ca -0.08 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 3gnj s VAL 57 Cb -0.11 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.35 3gnj s VAL 57 CO -0.01 0.53 1.10 -0.62 0.00 0.00 0.00 175.10 176.10 3gnj s ASP 58 N 0.88 6.76 0.49 3.32 -1.08 -1.26 -0.82 116.67 124.97 3gnj s ASP 58 Ca -0.05 0.72 0.29 0.00 -0.52 0.00 0.00 52.55 52.99 3gnj s ASP 58 Cb -0.15 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.78 3gnj s ASP 58 CO -0.03 -1.07 1.85 -0.37 0.52 0.00 0.00 175.17 176.08 3gnj h VAL 59 N 5.99 0.17 -0.07 1.11 -1.51 -1.23 0.15 116.25 120.86 3gnj h VAL 59 Ca -0.22 -0.82 -0.19 0.00 -1.23 0.00 0.00 66.70 64.24 3gnj h VAL 59 Cb 1.06 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.92 3gnj h VAL 59 CO 1.08 0.07 -0.75 -0.33 -1.23 0.00 0.00 177.57 176.41 3gnj h GLU 60 N 0.00 0.41 0.09 5.19 5.08 -1.92 -3.16 114.58 120.28 3gnj h GLU 60 Ca -0.00 -0.35 -0.28 0.00 -1.00 0.00 0.00 59.36 57.73 3gnj h GLU 60 Cb 0.70 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3gnj h GLU 60 CO 0.01 0.99 -1.38 0.93 -1.00 0.00 0.00 179.01 178.56 3gnj h GLU 61 N 0.28 0.19 -2.29 2.33 5.08 -1.86 -3.40 114.58 114.91 3gnj h GLU 61 Ca -0.04 -0.33 -0.65 0.00 -1.00 0.00 0.00 59.36 57.35 3gnj h GLU 61 Cb 1.34 0.12 -0.38 0.00 0.50 0.00 0.00 28.75 30.32 3gnj h GLU 61 CO 0.13 1.07 -0.22 0.39 -1.00 0.00 0.00 179.01 179.37 3gnj n GLU 62 N -3.42 3.70 -0.27 2.33 -0.58 0.50 -4.86 120.64 118.04 3gnj n GLU 62 Ca -0.12 -4.80 -0.03 0.00 -0.42 0.00 0.00 57.16 51.80 3gnj n GLU 62 Cb 1.02 -2.30 0.09 0.00 -0.57 0.00 0.00 31.44 29.68 3gnj n GLU 62 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3gnj h LYS 63 N 3.44 0.90 -0.16 3.49 1.57 -1.77 -2.18 116.57 121.86 3gnj h LYS 63 Ca 0.23 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3gnj h LYS 63 Cb 0.48 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 3gnj h LYS 63 CO 0.92 0.60 -0.09 1.15 -0.57 0.00 0.00 179.45 181.45 3gnj h THR 64 N 0.93 0.72 -0.32 -0.16 2.02 -1.90 -1.38 112.91 112.82 3gnj h THR 64 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 3gnj h THR 64 Cb 0.02 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3gnj h THR 64 CO -0.11 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 175.92 3gnj h LEU 65 N -0.08 0.37 -0.48 2.58 3.38 -1.91 0.27 115.31 119.45 3gnj h LEU 65 Ca 0.09 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.15 3gnj h LEU 65 Cb 0.22 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 3gnj h LEU 65 CO -0.22 0.27 -0.17 0.15 0.09 0.00 0.00 178.44 178.56 3gnj h PHE 66 N 0.44 -0.40 -0.02 1.13 3.57 -1.23 -2.76 116.94 117.66 3gnj h PHE 66 Ca 0.12 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 3gnj h PHE 66 Cb -0.05 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3gnj h PHE 66 CO -0.05 -0.26 -0.78 1.96 -2.23 0.00 0.00 178.31 176.95 3gnj h GLN 67 N -0.06 0.18 -0.87 1.11 4.20 -0.95 -2.87 115.11 115.84 3gnj h GLN 67 Ca 0.23 -0.17 0.23 0.00 0.06 0.00 0.00 58.65 59.01 3gnj h GLN 67 Cb 0.41 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.09 3gnj h GLN 67 CO -0.52 0.86 0.20 -0.09 -0.67 0.00 0.00 178.83 178.61 3gnj h ARG 68 N 0.11 0.17 -0.16 1.46 2.43 -0.21 -0.34 114.38 117.84 3gnj h ARG 68 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gnj h ARG 68 Cb 1.36 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3gnj h ARG 68 CO 0.12 0.11 0.00 1.19 -1.51 0.00 0.00 179.97 179.88 3gnj n PHE 69 N -5.26 0.20 -3.93 2.20 3.72 -1.07 -4.90 117.46 108.43 3gnj n PHE 69 Ca 0.21 -0.10 -0.30 0.00 -0.05 0.00 0.00 57.45 57.20 3gnj n PHE 69 Cb 0.67 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.24 3gnj n PHE 69 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3gnj n SER 70 N 0.07 -4.64 -4.82 4.37 2.88 -0.14 -4.94 113.62 106.40 3gnj n SER 70 Ca 0.13 -0.79 -0.36 0.00 -1.33 0.00 0.00 58.87 56.52 3gnj n SER 70 Cb 0.24 -3.83 -0.06 0.00 -0.75 0.00 0.00 64.21 59.81 3gnj n SER 70 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3gnj s LEU 71 N -7.27 4.30 -0.27 2.46 1.43 -1.12 -4.99 118.68 113.22 3gnj s LEU 71 Ca 0.65 1.45 0.17 0.00 -1.03 0.00 0.00 54.13 55.37 3gnj s LEU 71 Cb -0.33 -3.71 0.49 0.00 0.03 0.00 0.00 46.19 42.67 3gnj s LEU 71 CO 0.84 -0.02 1.14 0.29 0.23 0.00 0.00 176.35 178.83 3gnj n LYS 72 N 0.54 2.42 0.00 1.70 4.01 -1.26 -4.85 118.16 120.72 3gnj n LYS 72 Ca -0.01 -3.74 0.00 0.00 -0.51 0.00 0.00 58.31 54.05 3gnj n LYS 72 Cb 0.51 -1.85 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 3gnj n LYS 72 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gnj n GLY 73 N -0.64 1.07 3.17 0.72 0.00 -1.26 -5.18 105.19 103.08 3gnj n GLY 73 Ca 0.21 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 3gnj n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gnj s VAL 74 N -2.00 0.05 0.46 1.61 0.11 -1.26 -4.54 120.40 114.84 3gnj s VAL 74 Ca 0.00 -0.45 -0.21 0.00 -2.93 0.00 0.00 61.98 58.39 3gnj s VAL 74 Cb 0.00 -0.50 -0.10 0.00 -1.53 0.00 0.00 36.38 34.25 3gnj s VAL 74 CO 0.00 -0.25 0.99 -2.16 -3.33 0.00 0.00 175.10 170.36 3gnj s PRO 75 N -1.04 4.01 0.00 1.54 0.04 -1.26 -4.83 135.00 133.46 3gnj s PRO 75 Ca -0.11 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.19 3gnj s PRO 75 Cb -0.05 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3gnj s PRO 75 CO 0.02 -0.24 -0.09 -0.65 0.04 0.00 0.00 177.00 176.09 3gnj s GLN 76 N -3.22 0.66 -0.19 4.56 -0.21 -0.85 -0.63 119.66 119.79 3gnj s GLN 76 Ca 0.65 -0.38 -0.02 0.00 0.02 0.00 0.00 55.36 55.63 3gnj s GLN 76 Cb -0.13 -0.62 -0.01 0.00 1.00 0.00 0.00 33.01 33.25 3gnj s GLN 76 CO 0.17 0.16 -0.09 0.42 -2.12 0.00 0.00 175.29 173.84 3gnj s ILE 77 N -0.37 3.15 -0.06 1.08 1.01 -1.26 -0.60 121.20 124.14 3gnj s ILE 77 Ca 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3gnj s ILE 77 Cb -0.04 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 3gnj s ILE 77 CO -0.00 0.47 -0.08 -0.76 0.00 0.00 0.00 174.94 174.57 3gnj s LEU 78 N 1.06 3.08 -0.05 2.97 1.43 -0.08 -4.22 118.68 122.87 3gnj s LEU 78 Ca 0.00 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 3gnj s LEU 78 Cb -0.15 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3gnj s LEU 78 CO -0.01 0.36 -0.16 -0.31 0.23 0.00 0.00 176.35 176.46 3gnj s TYR 79 N -0.78 2.67 0.01 0.29 2.02 0.53 -0.52 117.35 121.56 3gnj s TYR 79 Ca 0.12 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 3gnj s TYR 79 Cb -0.11 -1.63 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3gnj s TYR 79 CO 0.01 0.13 -0.06 -0.06 -1.57 0.00 0.00 175.55 174.00 3gnj s PHE 80 N -0.64 0.51 -0.03 2.71 0.08 -0.46 -0.33 117.98 119.83 3gnj s PHE 80 Ca 0.10 -0.20 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 3gnj s PHE 80 Cb -0.11 -0.32 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 3gnj s PHE 80 CO 0.01 -0.03 0.26 0.21 -0.10 0.00 0.00 175.22 175.57 3gnj s LYS 81 N -0.53 0.56 -1.22 0.44 2.20 -0.86 -0.87 119.74 119.46 3gnj s LYS 81 Ca -0.02 -0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 55.40 3gnj s LYS 81 Cb -0.04 0.25 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 3gnj s LYS 81 CO -0.00 -0.14 0.31 -0.25 -0.36 0.00 0.00 175.35 174.91 3gnj n ASP 82 N 1.59 -4.07 0.00 1.43 8.00 -0.12 -0.83 116.55 122.55 3gnj n ASP 82 Ca -0.20 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3gnj n ASP 82 Cb 0.56 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 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 -1.07 0.73 3.89 0.44 0.00 -1.16 -4.90 105.19 103.12 3gnj n GLY 83 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.24 3.58 -0.40 1.61 2.02 -0.01 -4.85 118.70 120.40 3gnj s GLU 84 Ca 0.00 -0.14 -0.25 0.00 0.02 0.00 0.00 54.97 54.61 3gnj s GLU 84 Cb 0.00 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.26 3gnj s GLU 84 CO 0.00 0.57 0.87 -0.47 0.02 0.00 0.00 175.26 176.25 3gnj s TYR 85 N -1.47 3.03 -0.02 1.61 6.04 -1.26 -2.02 117.35 123.25 3gnj s TYR 85 Ca 0.34 0.53 0.16 0.00 0.04 0.00 0.00 57.07 58.14 3gnj s TYR 85 Cb -0.13 -3.68 -0.24 0.00 -1.04 0.00 0.00 41.96 36.87 3gnj s TYR 85 CO 0.22 -0.90 0.35 1.63 -1.54 0.00 0.00 175.55 175.30 3gnj n LYS 86 N 6.79 0.48 0.00 4.97 4.76 0.56 -5.00 118.16 130.72 3gnj n LYS 86 Ca 0.05 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3gnj n LYS 86 Cb 0.48 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 3gnj n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gnj n GLY 87 N 1.61 1.24 3.60 0.72 0.00 -1.13 -4.96 105.19 106.27 3gnj n GLY 87 Ca -0.03 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 3gnj n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gnj s LYS 88 N -2.00 2.02 -0.14 1.61 2.20 -1.26 -0.35 119.74 121.82 3gnj s LYS 88 Ca 0.00 -1.64 -0.30 0.00 -0.36 0.00 0.00 55.97 53.67 3gnj s LYS 88 Cb 0.00 0.51 0.11 0.00 -1.51 0.00 0.00 37.83 36.93 3gnj s LYS 88 CO 0.00 -0.88 0.89 0.00 -0.36 0.00 0.00 175.35 175.01 3gnj s ALA 90 N -2.82 -1.88 0.00 3.13 0.00 -1.26 -4.98 121.76 113.94 3gnj s ALA 90 Ca 0.25 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.76 3gnj s ALA 90 Cb -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3gnj s ALA 90 CO 0.17 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3gnj n GLY 91 N 0.98 -1.14 3.57 0.00 0.00 0.20 -4.58 105.19 104.23 3gnj n GLY 91 Ca -0.13 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 3gnj n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gnj s ASP 92 N -4.00 5.94 0.53 1.61 2.15 -1.26 -4.84 116.67 116.80 3gnj s ASP 92 Ca 0.00 -1.78 -0.18 0.00 0.43 0.00 0.00 52.55 51.02 3gnj s ASP 92 Cb 0.00 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.98 3gnj s ASP 92 CO 0.00 -2.08 1.04 0.68 -0.17 0.00 0.00 175.17 174.63 3gnj s VAL 93 N 7.44 3.92 0.08 1.11 -7.23 -1.26 -5.07 120.40 119.39 3gnj s VAL 93 Ca 0.60 1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 61.79 3gnj s VAL 93 Cb 0.00 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 3gnj s VAL 93 CO 0.06 -0.41 0.26 -1.61 -0.31 0.00 0.00 175.10 173.08 3gnj s GLU 94 N -3.68 3.49 0.27 4.82 0.41 -1.26 -4.92 118.70 117.82 3gnj s GLU 94 Ca 0.64 -0.35 -0.04 0.00 -0.41 0.00 0.00 54.97 54.82 3gnj s GLU 94 Cb -0.15 -2.99 0.34 0.00 -1.78 0.00 0.00 34.13 29.55 3gnj s GLU 94 CO 0.28 0.57 1.93 0.38 -0.49 0.00 0.00 175.26 177.93 3gnj h ASP 95 N 2.99 1.05 -0.77 -0.19 -0.00 -1.97 -2.45 116.42 115.08 3gnj h ASP 95 Ca -0.45 -0.04 0.11 0.00 -0.00 0.00 0.00 57.03 56.64 3gnj h ASP 95 Cb 1.16 -0.26 -0.13 0.00 -0.00 0.00 0.00 39.33 40.10 3gnj h ASP 95 CO 0.75 0.78 -0.44 -0.78 -0.00 0.00 0.00 179.24 179.55 3gnj h ASP 96 N 1.22 -1.57 -0.23 4.15 1.82 -1.98 0.30 116.42 120.13 3gnj h ASP 96 Ca 0.32 0.28 0.04 0.00 -0.39 0.00 0.00 57.03 57.28 3gnj h ASP 96 Cb -0.10 0.74 -0.04 0.00 0.68 0.00 0.00 39.33 40.62 3gnj h ASP 96 CO -0.07 -0.30 -0.03 -0.33 -1.61 0.00 0.00 179.24 176.90 3gnj h GLU 97 N -0.12 0.03 -0.57 0.28 5.08 -1.86 -0.36 114.58 117.06 3gnj h GLU 97 Ca 0.23 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3gnj h GLU 97 Cb 0.55 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3gnj h GLU 97 CO -0.82 0.02 0.13 -0.24 -1.00 0.00 0.00 179.01 177.10 3gnj h VAL 98 N 0.03 1.25 -0.66 3.13 3.04 -1.09 -3.08 116.25 118.86 3gnj h VAL 98 Ca 0.11 -0.91 -0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3gnj h VAL 98 Cb 0.15 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 30.15 3gnj h VAL 98 CO -0.21 0.33 0.41 -0.33 -1.01 0.00 0.00 177.57 176.76 3gnj h GLU 99 N 0.82 0.89 -1.34 4.17 5.08 -0.21 -0.52 114.58 123.45 3gnj h GLU 99 Ca 0.18 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3gnj h GLU 99 Cb 0.36 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3gnj h GLU 99 CO 0.00 0.62 0.00 0.94 -1.00 0.00 0.00 179.01 179.58 3gnj n GLN 100 N -4.59 0.23 0.00 2.33 -0.06 -0.16 -1.98 117.38 113.15 3gnj n GLN 100 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 3gnj n GLN 100 Cb 0.05 -1.31 0.00 0.00 -4.06 0.00 0.00 30.24 24.92 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 0.75 0.00 -0.13 1.69 5.41 -0.21 -0.41 119.36 126.46 3gnj n ILE 102 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 3gnj n ILE 102 Cb 0.10 0.00 -0.02 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 0.54 -0.59 -1.39 0.00 -1.66 0.30 119.26 116.46 3gnj h ALA 103 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3gnj h ALA 103 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3gnj h ALA 103 CO 0.00 0.49 0.34 -0.44 0.00 0.00 0.00 179.25 179.64 3gnj h ASP 104 N 0.61 0.52 -0.29 0.00 3.32 -1.00 -2.73 116.42 116.84 3gnj h ASP 104 Ca 0.09 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3gnj h ASP 104 Cb 0.74 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3gnj h ASP 104 CO 0.06 0.35 0.03 0.58 -1.72 0.00 0.00 179.24 178.54 3gnj h VAL 105 N 0.65 1.24 0.00 -1.35 2.07 -1.70 -2.70 116.25 114.46 3gnj h VAL 105 Ca 0.25 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3gnj h VAL 105 Cb 0.10 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3gnj h VAL 105 CO -0.14 0.28 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 3gnj h LEU 106 N 0.30 0.00 0.05 2.57 3.38 -0.84 -3.21 115.31 117.56 3gnj h LEU 106 Ca 0.09 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.69 3gnj h LEU 106 Cb 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3gnj h LEU 106 CO 0.01 0.00 -2.15 1.21 0.09 0.00 0.00 178.44 177.60 3gnj n GLU 107 N -2.72 0.67 0.00 1.13 4.07 -1.04 -5.09 120.64 117.66 3gnj n GLU 107 Ca -0.00 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 3gnj n GLU 107 Cb 0.18 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.94 3gnj n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67