#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjs h LYS 2 N 0.00 1.28 -6.32 0.03 1.57 -2.13 -3.42 116.57 107.58 1gjs h LYS 2 Ca 0.00 -0.12 -0.61 0.00 -1.87 0.00 0.00 60.65 58.05 1gjs h LYS 2 Cb 0.00 -0.27 -0.11 0.00 0.08 0.00 0.00 32.23 31.94 1gjs h LYS 2 CO 0.00 0.90 -0.65 0.00 -0.57 0.00 0.00 179.45 179.13 1gjs s ALA 3 N -5.94 3.26 -0.06 3.86 0.00 -1.26 -5.12 121.76 116.49 1gjs s ALA 3 Ca -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 1gjs s ALA 3 Cb 0.17 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1gjs s ALA 3 CO 0.83 0.51 0.11 0.42 0.00 0.00 0.00 175.76 177.63 1gjs s ILE 4 N -1.67 5.09 0.01 0.00 1.09 -1.26 -5.03 121.20 119.43 1gjs s ILE 4 Ca 0.28 -0.09 -0.37 0.00 -1.10 0.00 0.00 60.65 59.37 1gjs s ILE 4 Cb -0.10 -3.26 -0.16 0.00 -1.06 0.00 0.00 42.46 37.88 1gjs s ILE 4 CO 0.19 0.50 1.51 0.33 -0.10 0.00 0.00 174.94 177.37 1gjs n PHE 5 N 1.62 1.82 -2.34 3.97 -0.00 -1.26 -4.78 117.46 116.49 1gjs n PHE 5 Ca -0.16 0.50 -0.03 0.00 -0.00 0.00 0.00 57.45 57.76 1gjs n PHE 5 Cb 0.54 -2.42 0.04 0.00 -0.00 0.00 0.00 39.48 37.64 1gjs n PHE 5 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.76 178.31 1gjs n VAL 6 N 3.32 0.00 -1.23 -2.13 3.14 -1.26 -5.14 118.33 115.02 1gjs n VAL 6 Ca 0.20 -0.43 -0.32 0.00 -2.96 0.00 0.00 64.34 60.83 1gjs n VAL 6 Cb 0.20 0.66 0.10 0.00 -1.06 0.00 0.00 33.84 33.75 1gjs n VAL 6 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1gjs s LEU 7 N -1.79 3.10 -0.75 6.55 1.43 -1.26 -4.80 118.68 121.16 1gjs s LEU 7 Ca 0.04 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 55.07 1gjs s LEU 7 Cb 0.20 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.76 1gjs s LEU 7 CO -0.06 -2.30 1.93 -0.46 0.23 0.00 0.00 176.35 175.69 1gjs n ASN 8 N -3.36 3.41 -3.46 2.29 0.23 -1.26 -4.74 115.26 108.36 1gjs n ASN 8 Ca 0.11 -2.45 -0.12 0.00 -0.53 0.00 0.00 54.58 51.59 1gjs n ASN 8 Cb 0.52 -1.03 -0.02 0.00 -2.08 0.00 0.00 39.78 37.16 1gjs n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gjs s ALA 9 N 4.32 -1.47 -0.14 -2.53 0.00 -1.26 -5.16 121.76 115.52 1gjs s ALA 9 Ca 0.45 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 1gjs s ALA 9 Cb 0.11 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 1gjs s ALA 9 CO 0.05 -0.75 0.13 1.14 0.00 0.00 0.00 175.76 176.33 1gjs s GLN 10 N -3.76 3.67 0.24 0.00 0.00 -1.26 -4.99 119.66 113.56 1gjs s GLN 10 Ca 0.01 -0.17 -0.06 0.00 -0.00 0.00 0.00 55.36 55.15 1gjs s GLN 10 Cb -0.00 -3.25 0.23 0.00 0.00 0.00 0.00 33.01 29.98 1gjs s GLN 10 CO -0.13 0.62 1.85 1.12 0.00 0.00 0.00 175.29 178.75 1gjs h HIS 11 N 5.52 1.20 -3.81 9.60 2.07 -1.97 -3.41 115.15 124.35 1gjs h HIS 11 Ca -0.50 -0.04 -0.50 0.00 -2.85 0.00 0.00 60.37 56.48 1gjs h HIS 11 Cb 1.20 -0.38 0.01 0.00 2.57 0.00 0.00 27.41 30.81 1gjs h HIS 11 CO 0.70 0.85 0.43 -0.51 -3.07 0.00 0.00 177.93 176.33 1gjs s ASP 12 N -6.29 7.33 0.21 3.10 1.01 -1.26 -4.94 116.67 115.82 1gjs s ASP 12 Ca -0.12 2.14 -0.08 0.00 0.71 0.00 0.00 52.55 55.20 1gjs s ASP 12 Cb 0.17 -2.62 0.14 0.00 1.01 0.00 0.00 42.92 41.62 1gjs s ASP 12 CO 0.83 -0.09 1.75 -0.33 0.21 0.00 0.00 175.17 177.54 1gjs h GLU 13 N 3.75 1.17 -6.80 8.23 4.39 -2.01 -3.42 114.58 119.89 1gjs h GLU 13 Ca -0.46 -0.24 -0.52 0.00 0.34 0.00 0.00 59.36 58.47 1gjs h GLU 13 Cb 1.21 -0.17 0.04 0.00 -0.10 0.00 0.00 28.75 29.73 1gjs h GLU 13 CO 0.67 0.98 0.61 0.00 -1.16 0.00 0.00 179.01 180.11 1gjs s ALA 14 N -5.45 3.49 0.24 3.43 0.00 -1.26 -4.91 121.76 117.30 1gjs s ALA 14 Ca -0.12 1.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 1gjs s ALA 14 Cb 0.15 -3.45 0.23 0.00 0.00 0.00 0.00 23.12 20.05 1gjs s ALA 14 CO 0.84 -0.51 1.88 -0.24 0.00 0.00 0.00 175.76 177.73 1gjs h VAL 15 N 3.29 1.26 -4.19 0.00 3.04 -2.00 -3.42 116.25 114.23 1gjs h VAL 15 Ca -0.47 -0.60 -0.48 0.00 -1.01 0.00 0.00 66.70 64.14 1gjs h VAL 15 Cb 1.22 -0.03 -0.29 0.00 -2.01 0.00 0.00 31.29 30.18 1gjs h VAL 15 CO 0.70 0.28 -0.81 -1.81 -1.01 0.00 0.00 177.57 174.92 1gjs s ASP 16 N -6.21 1.63 0.00 3.17 1.01 -1.26 -5.04 116.67 109.98 1gjs s ASP 16 Ca -0.13 -0.26 0.00 0.00 0.71 0.00 0.00 52.55 52.87 1gjs s ASP 16 Cb 0.17 -0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.93 1gjs s ASP 16 CO 0.83 0.16 0.00 0.00 0.21 0.00 0.00 175.17 176.37 1gjs n ALA 17 N 2.68 0.00 -0.38 5.23 0.00 -1.26 -4.93 120.51 121.86 1gjs n ALA 17 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1gjs n ALA 17 Cb 0.55 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.11 1gjs n ALA 17 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1gjs h ASN 18 N 0.00 1.16 -0.41 0.00 -0.73 -1.97 -1.61 115.58 112.03 1gjs h ASN 18 Ca 0.00 -0.03 0.10 0.00 1.87 0.00 0.00 56.30 58.24 1gjs h ASN 18 Cb 0.00 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.28 1gjs h ASN 18 CO 0.00 0.84 0.29 0.77 -0.37 0.00 0.00 177.43 178.96 1gjs h SER 19 N 1.37 0.08 -0.07 1.15 4.64 -1.97 -1.65 113.55 117.10 1gjs h SER 19 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1gjs h SER 19 Cb -0.16 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1gjs h SER 19 CO -0.08 0.05 0.05 0.25 -0.87 0.00 0.00 176.83 176.23 1gjs h LEU 20 N 0.09 0.08 -0.42 5.97 5.85 -1.65 0.73 115.31 125.96 1gjs h LEU 20 Ca 0.19 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 1gjs h LEU 20 Cb 0.65 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1gjs h LEU 20 CO -0.02 0.06 -0.33 0.00 -0.34 0.00 0.00 178.44 177.81 1gjs h ALA 21 N 1.03 0.61 -0.99 1.25 0.00 -1.43 -3.02 119.26 116.70 1gjs h ALA 21 Ca 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1gjs h ALA 21 Cb -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1gjs h ALA 21 CO -0.01 0.68 0.65 1.49 0.00 0.00 0.00 179.25 182.06 1gjs h GLU 22 N 0.80 1.32 -0.84 0.00 4.81 -1.04 -1.50 114.58 118.13 1gjs h GLU 22 Ca 0.08 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1gjs h GLU 22 Cb 0.92 -0.29 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1gjs h GLU 22 CO 0.09 0.88 0.51 0.00 -0.73 0.00 0.00 179.01 179.76 1gjs h ALA 23 N 1.36 1.17 -0.50 2.92 0.00 -0.73 0.51 119.26 123.99 1gjs h ALA 23 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1gjs h ALA 23 Cb -0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1gjs h ALA 23 CO -0.08 0.22 -0.19 0.87 0.00 0.00 0.00 179.25 180.07 1gjs h LYS 24 N 0.91 1.02 -0.01 0.00 1.57 -1.35 0.42 116.57 119.13 1gjs h LYS 24 Ca 0.38 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1gjs h LYS 24 Cb 0.23 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1gjs h LYS 24 CO -0.19 1.11 0.00 0.28 -0.57 0.00 0.00 179.45 180.07 1gjs h VAL 25 N 0.88 1.20 -0.81 0.50 2.07 -0.17 0.33 116.25 120.26 1gjs h VAL 25 Ca 0.12 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1gjs h VAL 25 Cb 0.77 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 1gjs h VAL 25 CO 0.06 0.16 0.33 -0.07 0.02 0.00 0.00 177.57 178.07 1gjs h LEU 26 N -0.24 1.11 -0.84 2.57 3.38 0.00 -2.37 115.31 118.92 1gjs h LEU 26 Ca 0.00 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1gjs h LEU 26 Cb 0.25 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1gjs h LEU 26 CO 0.00 0.98 -0.01 0.00 0.09 0.00 0.00 178.44 179.50 1gjs h ALA 27 N 1.18 1.03 -1.01 1.53 0.00 -0.77 -2.74 119.26 118.48 1gjs h ALA 27 Ca 0.27 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gjs h ALA 27 Cb 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1gjs h ALA 27 CO -0.02 0.60 0.67 -0.97 0.00 0.00 0.00 179.25 179.52 1gjs h ASN 28 N 0.79 1.16 -0.99 0.00 -0.73 -0.42 -2.34 115.58 113.06 1gjs h ASN 28 Ca 0.15 -0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.30 1gjs h ASN 28 Cb 0.49 -0.29 -0.05 0.00 0.27 0.00 0.00 38.32 38.74 1gjs h ASN 28 CO 0.02 0.84 0.65 0.03 -0.37 0.00 0.00 177.43 178.61 1gjs h ARG 29 N 1.37 1.30 -1.01 6.67 3.08 -1.17 -2.31 114.38 122.31 1gjs h ARG 29 Ca 0.37 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.35 1gjs h ARG 29 Cb -0.16 -0.29 -0.05 0.00 0.08 0.00 0.00 29.97 29.55 1gjs h ARG 29 CO -0.08 0.86 0.67 0.93 -1.07 0.00 0.00 179.97 181.28 1gjs h GLU 30 N 1.34 1.32 0.03 0.04 5.08 -1.37 0.17 114.58 121.19 1gjs h GLU 30 Ca 0.36 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1gjs h GLU 30 Cb -0.15 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.80 1gjs h GLU 30 CO -0.08 0.88 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.72 1gjs h LEU 31 N 1.36 -0.03 -1.01 1.33 3.38 -1.35 0.20 115.31 119.19 1gjs h LEU 31 Ca 0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1gjs h LEU 31 Cb -0.16 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1gjs h LEU 31 CO -0.08 -0.02 0.66 0.44 0.09 0.00 0.00 178.44 179.53 1gjs h ASP 32 N -0.04 1.15 0.05 -0.43 3.32 -1.23 1.49 116.42 120.73 1gjs h ASP 32 Ca -0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1gjs h ASP 32 Cb 0.03 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1gjs h ASP 32 CO 0.01 0.84 -0.02 0.50 -1.72 0.00 0.00 179.24 178.84 1gjs h LYS 33 N 1.36 -0.06 -0.35 3.56 3.64 0.15 -2.82 116.57 122.04 1gjs h LYS 33 Ca 0.37 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.58 1gjs h LYS 33 Cb -0.15 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1gjs h LYS 33 CO -0.08 -0.04 -0.46 1.88 -2.27 0.00 0.00 179.45 178.48 1gjs h TYR 34 N -0.07 1.13 0.00 1.91 0.05 -0.01 -3.47 116.97 116.51 1gjs h TYR 34 Ca -0.01 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.41 1gjs h TYR 34 Cb 0.05 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.57 1gjs h TYR 34 CO -0.08 1.20 0.00 0.41 -1.05 0.00 0.00 178.16 178.65 1gjs n GLY 35 N 0.24 1.22 2.84 3.88 0.00 0.51 -5.08 105.19 108.79 1gjs n GLY 35 Ca -0.03 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1gjs n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gjs n VAL 36 N -2.22 0.00 -1.78 1.61 0.24 -1.09 -4.92 118.33 110.18 1gjs n VAL 36 Ca 0.00 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.51 1gjs n VAL 36 Cb 0.14 -1.18 -0.00 0.00 -1.47 0.00 0.00 33.84 31.34 1gjs n VAL 36 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1gjs n SER 37 N -4.55 3.85 0.25 -1.34 2.88 -1.26 -4.87 113.62 108.58 1gjs n SER 37 Ca 0.12 1.23 0.16 0.00 -1.33 0.00 0.00 58.87 59.05 1gjs n SER 37 Cb 0.48 -1.63 0.65 0.00 -0.75 0.00 0.00 64.21 62.96 1gjs n SER 37 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1gjs h ASP 38 N 2.98 0.00 -0.26 -3.46 1.82 -1.98 -3.17 116.42 112.35 1gjs h ASP 38 Ca -0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1gjs h ASP 38 Cb 1.24 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.24 1gjs h ASP 38 CO 0.64 0.00 0.17 0.22 -1.61 0.00 0.00 179.24 178.66 1gjs h TYR 39 N 0.00 0.32 -0.03 0.28 5.03 -2.03 -2.21 116.97 118.34 1gjs h TYR 39 Ca 0.00 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.33 1gjs h TYR 39 Cb 0.47 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.64 1gjs h TYR 39 CO 0.00 0.20 0.23 1.88 -1.32 0.00 0.00 178.16 179.16 1gjs h TYR 40 N 0.35 0.00 -0.38 -3.82 0.05 -1.94 -1.27 116.97 109.96 1gjs h TYR 40 Ca 0.09 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.71 1gjs h TYR 40 Cb -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1gjs h TYR 40 CO -0.06 0.00 -0.40 1.57 -1.05 0.00 0.00 178.16 178.22 1gjs h LYS 41 N 0.00 0.94 0.00 4.88 2.10 -1.58 -2.85 116.57 120.06 1gjs h LYS 41 Ca 0.02 -0.51 -0.08 0.00 -2.00 0.00 0.00 60.65 58.08 1gjs h LYS 41 Cb 0.48 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1gjs h LYS 41 CO -0.00 1.16 -0.39 -2.95 -2.00 0.00 0.00 179.45 175.27 1gjs h ASN 42 N 0.76 0.00 -0.65 7.07 7.08 -1.33 -2.95 115.58 125.55 1gjs h ASN 42 Ca 0.06 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.19 1gjs h ASN 42 Cb 1.00 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.22 1gjs h ASN 42 CO 0.10 0.39 0.08 0.25 -2.08 0.00 0.00 177.43 176.16 1gjs h LEU 43 N 0.00 1.06 -0.88 6.14 5.85 -1.39 -2.30 115.31 123.79 1gjs h LEU 43 Ca -0.00 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1gjs h LEU 43 Cb 0.82 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1gjs h LEU 43 CO 0.05 1.07 0.44 0.40 -0.34 0.00 0.00 178.44 180.06 1gjs h ILE 44 N 1.02 1.26 -0.74 4.05 2.04 -1.37 -1.27 117.51 122.49 1gjs h ILE 44 Ca 0.20 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1gjs h ILE 44 Cb 0.48 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1gjs h ILE 44 CO 0.02 0.31 0.49 0.78 0.00 0.00 0.00 178.15 179.74 1gjs h ASN 45 N 1.23 0.86 0.96 1.72 -0.26 -1.41 0.50 115.58 119.18 1gjs h ASN 45 Ca 0.30 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 56.01 1gjs h ASN 45 Cb 0.09 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.13 1gjs h ASN 45 CO -0.04 0.63 -0.04 0.78 -1.06 0.00 0.00 177.43 177.70 1gjs h ASN 46 N 1.01 0.00 -3.18 5.81 2.35 -0.71 -3.43 115.58 117.43 1gjs h ASN 46 Ca 0.27 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.50 1gjs h ASN 46 Cb -0.11 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.31 1gjs h ASN 46 CO -0.06 0.04 0.78 0.00 -1.65 0.00 0.00 177.43 176.54 1gjs s ALA 47 N -3.70 3.66 -0.85 -0.83 0.00 0.16 -4.89 121.76 115.31 1gjs s ALA 47 Ca 0.01 1.30 0.13 0.00 0.00 0.00 0.00 51.96 53.40 1gjs s ALA 47 Cb 0.09 -3.57 0.40 0.00 0.00 0.00 0.00 23.12 20.05 1gjs s ALA 47 CO 0.56 -0.72 1.33 1.63 0.00 0.00 0.00 175.76 178.56 1gjs n LYS 48 N 2.99 2.94 -3.82 0.00 5.02 -1.26 -4.97 118.16 119.07 1gjs n LYS 48 Ca 0.09 -2.31 -0.12 0.00 -2.02 0.00 0.00 58.31 53.95 1gjs n LYS 48 Cb 0.40 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.85 1gjs n LYS 48 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gjs s THR 49 N -1.43 0.03 0.22 -0.18 2.01 -1.26 -5.04 115.64 109.98 1gjs s THR 49 Ca 0.31 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1gjs s THR 49 Cb 0.19 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1gjs s THR 49 CO 0.16 -0.13 1.57 1.62 -0.69 0.00 0.00 174.62 177.15 1gjs h VAL 50 N 4.57 1.33 -0.91 3.82 3.04 -1.93 -2.66 116.25 123.52 1gjs h VAL 50 Ca -0.27 -1.74 0.09 0.00 -1.01 0.00 0.00 66.70 63.77 1gjs h VAL 50 Cb 1.19 1.75 -0.06 0.00 -2.01 0.00 0.00 31.29 32.16 1gjs h VAL 50 CO 0.39 0.53 0.59 1.05 -1.01 0.00 0.00 177.57 179.11 1gjs h GLU 51 N 0.35 0.92 -0.18 4.17 4.11 -2.00 0.12 114.58 122.08 1gjs h GLU 51 Ca 0.01 -0.06 -0.15 0.00 0.07 0.00 0.00 59.36 59.23 1gjs h GLU 51 Cb 1.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1gjs h GLU 51 CO 0.09 0.61 -0.54 0.78 0.07 0.00 0.00 179.01 180.02 1gjs h GLY 52 N 0.95 0.56 0.88 1.06 0.00 -1.93 -1.98 103.07 102.61 1gjs h GLY 52 Ca 0.41 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1gjs h GLY 52 CO -0.17 0.58 0.06 -2.08 0.00 0.00 0.00 176.54 174.93 1gjs h VAL 53 N 0.40 1.15 -0.68 4.60 2.07 -0.50 -0.19 116.25 123.10 1gjs h VAL 53 Ca 0.01 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1gjs h VAL 53 Cb 1.07 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1gjs h VAL 53 CO 0.10 0.14 0.11 0.50 0.02 0.00 0.00 177.57 178.44 1gjs h LYS 54 N 0.08 1.12 0.00 1.57 3.64 -1.13 -1.89 116.57 119.96 1gjs h LYS 54 Ca 0.05 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1gjs h LYS 54 Cb 0.16 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1gjs h LYS 54 CO -0.00 1.02 0.00 0.00 -2.27 0.00 0.00 179.45 178.20 1gjs h ALA 55 N 1.05 1.00 0.00 5.00 0.00 -1.15 -2.56 119.26 122.61 1gjs h ALA 55 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1gjs h ALA 55 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1gjs h ALA 55 CO 0.01 0.00 -0.00 1.25 0.00 0.00 0.00 179.25 180.51 1gjs h LEU 56 N 0.00 0.00 -0.96 0.00 5.85 -0.21 -2.66 115.31 117.33 1gjs h LEU 56 Ca 0.00 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.01 1gjs h LEU 56 Cb 0.42 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.30 1gjs h LEU 56 CO 0.00 0.00 0.46 0.40 -0.34 0.00 0.00 178.44 178.96 1gjs h ILE 57 N -0.01 0.31 -1.00 4.05 1.08 -1.58 1.48 117.51 121.85 1gjs h ILE 57 Ca 0.00 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1gjs h ILE 57 Cb 0.00 -0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 33.69 1gjs h ILE 57 CO 0.00 0.05 0.67 0.44 -0.69 0.00 0.00 178.15 178.62 1gjs h ASP 58 N 0.30 1.15 0.90 1.72 3.32 -1.58 0.56 116.42 122.79 1gjs h ASP 58 Ca 0.67 -0.03 -0.23 0.00 0.02 0.00 0.00 57.03 57.47 1gjs h ASP 58 Cb 1.47 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1gjs h ASP 58 CO -0.62 0.83 -1.13 1.05 -1.72 0.00 0.00 179.24 177.65 1gjs h GLU 59 N 1.36 0.00 0.00 3.56 4.11 0.21 -2.16 114.58 121.65 1gjs h GLU 59 Ca 0.37 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.80 1gjs h GLU 59 Cb -0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1gjs h GLU 59 CO -0.08 0.91 -0.00 0.82 0.07 0.00 0.00 179.01 180.73 1gjs h ILE 60 N 0.00 1.28 -0.82 -1.06 1.08 0.77 -2.46 117.51 116.29 1gjs h ILE 60 Ca -0.06 -0.82 -0.04 0.00 -0.39 0.00 0.00 64.86 63.55 1gjs h ILE 60 Cb 1.82 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 37.36 1gjs h ILE 60 CO 0.12 0.21 0.35 -0.07 -0.69 0.00 0.00 178.15 178.07 1gjs h LEU 61 N -0.35 1.11 -2.28 1.44 3.38 -1.00 -1.61 115.31 116.01 1gjs h LEU 61 Ca -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1gjs h LEU 61 Cb 0.35 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1gjs h LEU 61 CO 0.00 0.97 -0.05 0.00 0.09 0.00 0.00 178.44 179.45 1gjs h ALA 62 N 1.19 1.34 -0.85 1.53 0.00 -1.30 -2.13 119.26 119.04 1gjs h ALA 62 Ca 0.28 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1gjs h ALA 62 Cb 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1gjs h ALA 62 CO -0.03 0.06 0.56 0.00 0.00 0.00 0.00 179.25 179.84 1gjs h ALA 63 N 1.95 1.39 -3.07 0.00 0.00 -0.80 -3.42 119.26 115.32 1gjs h ALA 63 Ca -0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 1gjs h ALA 63 Cb 0.15 -0.34 0.15 0.00 0.00 0.00 0.00 17.79 17.75 1gjs h ALA 63 CO 0.01 0.56 0.57 -0.51 0.00 0.00 0.00 179.25 179.88 1gjs s LEU 64 N -9.95 3.72 0.00 0.00 1.43 -0.80 -5.14 118.68 107.94 1gjs s LEU 64 Ca -0.12 2.71 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 1gjs s LEU 64 Cb 0.18 -4.43 0.19 0.00 0.03 0.00 0.00 46.19 42.16 1gjs s LEU 64 CO 0.80 -1.78 0.67 -0.81 0.23 0.00 0.00 176.35 175.46