#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 0.39 -0.23 3.17 3.64 -2.09 -3.43 116.57 118.02 1gjs h LYS 2 Ca 0.00 -0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.59 1gjs h LYS 2 Cb 0.00 -0.09 -0.19 0.00 -0.41 0.00 0.00 32.23 31.54 1gjs h LYS 2 CO 0.00 0.26 0.03 0.00 -2.27 0.00 0.00 179.45 177.47 1gjs s ALA 3 N -6.17 -4.01 0.08 5.00 0.00 -1.26 -5.05 121.76 110.35 1gjs s ALA 3 Ca -0.13 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.97 1gjs s ALA 3 Cb 0.10 -2.79 -0.15 0.00 0.00 0.00 0.00 23.12 20.27 1gjs s ALA 3 CO 0.71 -1.99 1.70 0.82 0.00 0.00 0.00 175.76 176.99 1gjs h ILE 4 N 4.60 1.04 0.00 0.00 5.03 -2.06 -3.44 117.51 122.68 1gjs h ILE 4 Ca -0.10 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.53 1gjs h ILE 4 Cb 1.17 1.11 0.00 0.00 -3.03 0.00 0.00 36.82 36.07 1gjs h ILE 4 CO -0.11 0.03 0.00 0.33 -0.68 0.00 0.00 178.15 177.72 1gjs n PHE 5 N -5.07 0.00 -3.42 1.37 -0.00 -1.26 -5.11 117.46 103.98 1gjs n PHE 5 Ca -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 56.99 1gjs n PHE 5 Cb 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.44 1gjs n PHE 5 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1gjs s VAL 6 N 0.00 5.19 0.00 -2.13 1.01 -1.26 -4.89 120.40 118.31 1gjs s VAL 6 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1gjs s VAL 6 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1gjs s VAL 6 CO 0.00 0.12 0.00 -0.11 0.00 0.00 0.00 175.10 175.11 1gjs n LEU 7 N 5.31 1.58 -4.82 3.92 7.94 -1.26 -4.95 117.00 124.72 1gjs n LEU 7 Ca -0.09 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.49 1gjs n LEU 7 Cb 0.51 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.46 1gjs n LEU 7 CO 0.37 0.26 0.70 0.20 -1.11 0.00 0.00 177.39 177.81 1gjs s ASN 8 N -4.45 6.07 -0.08 1.96 0.02 -1.26 -5.06 114.94 112.14 1gjs s ASN 8 Ca 0.00 1.67 0.03 0.00 -1.02 0.00 0.00 52.86 53.54 1gjs s ASN 8 Cb 0.00 -2.51 0.01 0.00 0.02 0.00 0.00 41.25 38.76 1gjs s ASN 8 CO 0.00 -0.97 -0.16 0.00 0.02 0.00 0.00 177.10 175.99 1gjs s ALA 9 N -2.65 1.57 -2.50 0.60 0.00 -1.26 -5.00 121.76 112.52 1gjs s ALA 9 Ca 0.60 -0.60 0.28 0.00 0.00 0.00 0.00 51.96 52.24 1gjs s ALA 9 Cb -0.13 -0.65 1.04 0.00 0.00 0.00 0.00 23.12 23.38 1gjs s ALA 9 CO 0.39 0.18 1.74 1.04 0.00 0.00 0.00 175.76 179.10 1gjs n GLN 10 N 3.71 1.67 -1.78 0.00 3.00 -1.26 -4.91 117.38 117.80 1gjs n GLN 10 Ca -0.22 -0.97 -0.41 0.00 -0.01 0.00 0.00 57.00 55.39 1gjs n GLN 10 Cb 0.52 -1.48 -0.00 0.00 0.00 0.00 0.00 30.24 29.28 1gjs n GLN 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1gjs s HIS 11 N -2.00 2.55 0.34 1.08 2.46 -1.26 -4.89 115.29 113.57 1gjs s HIS 11 Ca 0.38 1.15 -0.29 0.00 0.47 0.00 0.00 55.06 56.77 1gjs s HIS 11 Cb 0.21 -4.05 -0.11 0.00 -0.13 0.00 0.00 32.58 28.50 1gjs s HIS 11 CO 0.33 -3.07 1.51 -3.47 -2.47 0.00 0.00 174.74 167.57 1gjs n ASP 12 N 0.44 3.71 -4.36 9.88 -0.08 -1.26 -5.00 116.55 119.88 1gjs n ASP 12 Ca 0.01 1.20 -0.30 0.00 -1.51 0.00 0.00 54.79 54.18 1gjs n ASP 12 Cb 0.39 -1.60 -0.14 0.00 2.34 0.00 0.00 41.12 42.11 1gjs n ASP 12 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1gjs s GLU 13 N -1.47 1.91 0.11 -0.67 0.41 -1.26 -5.14 118.70 112.59 1gjs s GLU 13 Ca 0.58 -1.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.11 1gjs s GLU 13 Cb -0.49 -2.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.78 1gjs s GLU 13 CO 0.58 0.53 -0.09 0.00 -0.49 0.00 0.00 175.26 175.79 1gjs s ALA 14 N -0.80 1.12 -0.17 5.21 0.00 -1.26 -5.14 121.76 120.72 1gjs s ALA 14 Ca 0.12 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1gjs s ALA 14 Cb -0.10 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1gjs s ALA 14 CO 0.02 -0.12 -0.05 0.08 0.00 0.00 0.00 175.76 175.69 1gjs s VAL 15 N -3.05 3.71 -0.08 0.00 1.01 -1.26 -5.10 120.40 115.63 1gjs s VAL 15 Ca 0.10 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1gjs s VAL 15 Cb 0.01 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1gjs s VAL 15 CO -0.02 0.48 -0.20 -0.62 0.00 0.00 0.00 175.10 174.75 1gjs s ASP 16 N 0.60 2.57 0.00 3.32 -1.08 -1.26 -4.94 116.67 115.88 1gjs s ASP 16 Ca -0.03 -0.45 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 1gjs s ASP 16 Cb -0.15 -1.08 0.00 0.00 -1.46 0.00 0.00 42.92 40.23 1gjs s ASP 16 CO 0.03 0.13 0.00 0.00 0.52 0.00 0.00 175.17 175.84 1gjs n ALA 17 N 3.51 0.00 0.67 3.66 0.00 -1.26 -4.91 120.51 122.18 1gjs n ALA 17 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1gjs n ALA 17 Cb 0.52 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.42 1gjs n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1gjs n ASN 18 N -1.19 0.16 -0.20 0.00 5.15 -1.26 -3.18 115.26 114.73 1gjs n ASN 18 Ca 0.00 0.53 0.01 0.00 -0.60 0.00 0.00 54.58 54.52 1gjs n ASN 18 Cb 0.00 -0.57 0.26 0.00 -0.53 0.00 0.00 39.78 38.94 1gjs n ASN 18 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1gjs h SER 19 N 0.00 0.84 -0.01 1.20 4.64 -1.92 -1.38 113.55 116.92 1gjs h SER 19 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1gjs h SER 19 Cb 0.40 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1gjs h SER 19 CO 0.00 0.61 0.01 -0.07 -0.87 0.00 0.00 176.83 176.50 1gjs h LEU 20 N 0.99 0.01 -0.01 5.97 3.38 -1.96 0.47 115.31 124.17 1gjs h LEU 20 Ca 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1gjs h LEU 20 Cb -0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1gjs h LEU 20 CO -0.06 0.01 0.01 0.00 0.09 0.00 0.00 178.44 178.49 1gjs h ALA 21 N 1.00 0.01 -0.90 1.53 0.00 -1.64 -0.41 119.26 118.86 1gjs h ALA 21 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gjs h ALA 21 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1gjs h ALA 21 CO -0.00 -0.49 0.51 1.49 0.00 0.00 0.00 179.25 180.77 1gjs h GLU 22 N 0.01 1.23 -0.32 0.00 4.81 -1.05 0.20 114.58 119.48 1gjs h GLU 22 Ca 0.00 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1gjs h GLU 22 Cb -0.00 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 1gjs h GLU 22 CO -0.00 0.89 0.20 0.00 -0.73 0.00 0.00 179.01 179.36 1gjs h ALA 23 N 1.28 0.41 -0.49 2.92 0.00 0.41 0.43 119.26 124.22 1gjs h ALA 23 Ca 0.32 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1gjs h ALA 23 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1gjs h ALA 23 CO -0.06 -0.10 -0.21 0.87 0.00 0.00 0.00 179.25 179.75 1gjs h LYS 24 N 0.42 1.00 -0.01 0.00 1.57 -0.66 0.41 116.57 119.31 1gjs h LYS 24 Ca 0.12 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1gjs h LYS 24 Cb -0.01 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1gjs h LYS 24 CO -0.02 1.11 0.00 0.28 -0.57 0.00 0.00 179.45 180.25 1gjs h VAL 25 N 0.86 1.19 -0.50 0.50 2.07 -0.19 -0.45 116.25 119.74 1gjs h VAL 25 Ca 0.11 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 1gjs h VAL 25 Cb 0.79 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1gjs h VAL 25 CO 0.07 0.15 -0.10 -0.07 0.02 0.00 0.00 177.57 177.63 1gjs h LEU 26 N -0.23 0.95 -0.70 2.57 3.38 -0.13 -2.62 115.31 118.54 1gjs h LEU 26 Ca 0.00 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1gjs h LEU 26 Cb 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1gjs h LEU 26 CO 0.00 1.08 0.27 0.00 0.09 0.00 0.00 178.44 179.89 1gjs h ALA 27 N 0.90 0.90 -1.00 1.53 0.00 -0.87 -2.57 119.26 118.16 1gjs h ALA 27 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1gjs h ALA 27 Cb 0.66 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1gjs h ALA 27 CO 0.05 0.53 0.66 -0.97 0.00 0.00 0.00 179.25 179.52 1gjs h ASN 28 N 0.99 1.15 -0.99 0.00 -0.73 -0.91 -2.54 115.58 112.56 1gjs h ASN 28 Ca 0.23 -0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.38 1gjs h ASN 28 Cb 0.22 -0.29 -0.05 0.00 0.27 0.00 0.00 38.32 38.47 1gjs h ASN 28 CO -0.02 0.83 0.64 0.03 -0.37 0.00 0.00 177.43 178.55 1gjs h ARG 29 N 1.36 1.31 -0.74 6.67 3.08 -1.08 -2.53 114.38 122.45 1gjs h ARG 29 Ca 0.37 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.34 1gjs h ARG 29 Cb -0.15 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 29.57 1gjs h ARG 29 CO -0.08 0.88 0.49 0.93 -1.07 0.00 0.00 179.97 181.11 1gjs h GLU 30 N 1.35 0.97 0.00 0.04 4.39 -1.33 -0.99 114.58 119.00 1gjs h GLU 30 Ca 0.36 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1gjs h GLU 30 Cb -0.14 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.29 1gjs h GLU 30 CO -0.08 0.64 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.34 1gjs h LEU 31 N 1.00 0.00 -0.69 1.33 3.38 -1.41 -1.78 115.31 117.15 1gjs h LEU 31 Ca 0.27 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1gjs h LEU 31 Cb -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1gjs h LEU 31 CO -0.06 0.00 0.45 -0.78 0.09 0.00 0.00 178.44 178.15 1gjs h ASP 32 N 0.00 0.79 -0.31 -0.43 1.82 -0.97 0.49 116.42 117.82 1gjs h ASP 32 Ca -0.00 -0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.46 1gjs h ASP 32 Cb 0.01 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 1gjs h ASP 32 CO 0.00 0.58 -0.41 0.07 -1.61 0.00 0.00 179.24 177.87 1gjs h LYS 33 N 0.93 0.87 -0.34 0.28 2.10 -1.30 -3.14 116.57 115.97 1gjs h LYS 33 Ca 0.25 -0.47 -0.16 0.00 -2.00 0.00 0.00 60.65 58.28 1gjs h LYS 33 Cb -0.10 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 1gjs h LYS 33 CO -0.05 1.11 -0.42 1.88 -2.00 0.00 0.00 179.45 179.97 1gjs h TYR 34 N 0.70 1.04 0.00 0.07 0.05 -1.17 -3.47 116.97 114.19 1gjs h TYR 34 Ca 0.05 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1gjs h TYR 34 Cb 0.99 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.52 1gjs h TYR 34 CO 0.06 1.13 0.00 0.41 -1.05 0.00 0.00 178.16 178.71 1gjs n GLY 35 N 0.15 0.49 0.57 3.88 0.00 0.17 -5.05 105.19 105.39 1gjs n GLY 35 Ca -0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.76 0.00 -2.05 1.61 0.24 -1.24 -4.94 118.33 108.19 1gjs n VAL 36 Ca 0.00 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 1gjs n VAL 36 Cb 0.45 -0.46 0.02 0.00 -1.47 0.00 0.00 33.84 32.38 1gjs n VAL 36 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1gjs s SER 37 N -2.13 5.47 0.50 -1.34 1.04 -1.26 -4.91 113.70 111.07 1gjs s SER 37 Ca 0.12 2.09 0.31 0.00 0.48 0.00 0.00 55.95 58.94 1gjs s SER 37 Cb -0.02 -2.57 1.14 0.00 0.10 0.00 0.00 66.02 64.68 1gjs s SER 37 CO 0.10 -1.38 1.89 -0.78 0.98 0.00 0.00 173.24 174.05 1gjs h ASP 38 N 0.69 0.00 -0.19 7.02 1.82 -2.01 -3.21 116.42 120.54 1gjs h ASP 38 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1gjs h ASP 38 Cb 1.25 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.25 1gjs h ASP 38 CO 0.56 0.00 0.12 0.22 -1.61 0.00 0.00 179.24 178.53 1gjs h TYR 39 N 0.00 0.23 -0.91 0.28 5.03 -2.00 -2.28 116.97 117.32 1gjs h TYR 39 Ca 0.00 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1gjs h TYR 39 Cb 0.60 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.75 1gjs h TYR 39 CO 0.00 0.15 0.60 1.88 -1.32 0.00 0.00 178.16 179.47 1gjs h TYR 40 N 0.25 1.15 -0.87 -3.82 0.05 -1.95 -0.61 116.97 111.17 1gjs h TYR 40 Ca 0.07 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1gjs h TYR 40 Cb -0.03 -0.39 -0.04 0.00 1.01 0.00 0.00 36.73 37.28 1gjs h TYR 40 CO -0.07 0.73 0.43 0.87 -1.05 0.00 0.00 178.16 179.07 1gjs h LYS 41 N 1.24 1.24 -0.47 4.88 1.57 -1.60 -1.73 116.57 121.70 1gjs h LYS 41 Ca 0.33 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.80 1gjs h LYS 41 Cb -0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.93 1gjs h LYS 41 CO -0.07 0.94 -0.25 -0.91 -0.57 0.00 0.00 179.45 178.59 1gjs h ASN 42 N 1.23 1.03 -0.92 0.86 -0.26 -0.80 -2.86 115.58 113.86 1gjs h ASN 42 Ca 0.30 -0.41 0.01 0.00 -0.56 0.00 0.00 56.30 55.64 1gjs h ASN 42 Cb 0.10 -0.29 -0.05 0.00 -1.06 0.00 0.00 38.32 37.03 1gjs h ASN 42 CO -0.04 1.21 0.61 0.25 -1.06 0.00 0.00 177.43 178.40 1gjs h LEU 43 N 0.85 1.06 -0.94 1.61 5.85 -0.59 -1.67 115.31 121.49 1gjs h LEU 43 Ca 0.10 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1gjs h LEU 43 Cb 0.83 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1gjs h LEU 43 CO 0.07 0.77 0.54 0.40 -0.34 0.00 0.00 178.44 179.89 1gjs h ILE 44 N 1.25 1.26 0.00 4.05 2.04 -1.18 0.16 117.51 125.10 1gjs h ILE 44 Ca 0.34 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1gjs h ILE 44 Cb -0.14 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 35.90 1gjs h ILE 44 CO -0.07 0.28 0.00 0.78 0.00 0.00 0.00 178.15 179.14 1gjs h ASN 45 N 1.30 0.00 -0.03 1.72 -0.26 -1.10 0.47 115.58 117.68 1gjs h ASN 45 Ca 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 1gjs h ASN 45 Cb -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1gjs h ASN 45 CO -0.06 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.90 1gjs n ASN 46 N -2.90 2.96 -4.79 5.81 3.02 0.47 -4.95 115.26 114.88 1gjs n ASN 46 Ca -0.02 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.20 1gjs n ASN 46 Cb 0.13 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1gjs n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gjs s ALA 47 N -2.00 2.88 0.00 5.41 0.00 0.15 -4.95 121.76 123.25 1gjs s ALA 47 Ca 0.28 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1gjs s ALA 47 Cb 0.20 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1gjs s ALA 47 CO 0.30 -0.42 0.65 0.36 0.00 0.00 0.00 175.76 176.65 1gjs n LYS 48 N -0.85 1.04 -4.04 0.00 0.00 -1.26 -5.05 118.16 108.01 1gjs n LYS 48 Ca 0.09 -0.86 -0.12 0.00 -0.00 0.00 0.00 58.31 57.42 1gjs n LYS 48 Cb 0.51 -0.82 -0.12 0.00 -0.00 0.00 0.00 35.03 34.61 1gjs n LYS 48 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1gjs s THR 49 N -0.42 0.36 0.14 0.58 -4.23 -1.26 -5.04 115.64 105.76 1gjs s THR 49 Ca 0.00 -0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 59.54 1gjs s THR 49 Cb 0.00 -0.43 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 1gjs s THR 49 CO 0.00 -0.33 1.49 0.58 -0.54 0.00 0.00 174.62 175.82 1gjs h VAL 50 N 4.65 1.28 -0.99 2.29 2.07 -1.98 -1.17 116.25 122.40 1gjs h VAL 50 Ca -0.33 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1gjs h VAL 50 Cb 1.20 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1gjs h VAL 50 CO 0.43 0.48 0.65 -0.08 0.02 0.00 0.00 177.57 179.07 1gjs h GLU 51 N 0.71 1.30 -0.61 1.57 4.81 -1.98 0.27 114.58 120.65 1gjs h GLU 51 Ca 0.08 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1gjs h GLU 51 Cb 0.86 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1gjs h GLU 51 CO 0.08 0.86 0.05 0.78 -0.73 0.00 0.00 179.01 180.05 1gjs h GLY 52 N 1.34 1.12 0.67 1.92 0.00 -1.92 0.73 103.07 106.94 1gjs h GLY 52 Ca 0.36 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1gjs h GLY 52 CO -0.08 0.72 -0.00 -2.08 0.00 0.00 0.00 176.54 175.10 1gjs h VAL 53 N 0.96 1.26 -0.38 4.60 2.07 0.12 -1.94 116.25 122.95 1gjs h VAL 53 Ca 0.18 -0.77 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 1gjs h VAL 53 Cb 0.49 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1gjs h VAL 53 CO 0.02 0.20 -0.40 0.11 0.02 0.00 0.00 177.57 177.52 1gjs h LYS 54 N -0.33 0.94 -0.17 1.57 1.57 -0.43 -2.99 116.57 116.73 1gjs h LYS 54 Ca -0.00 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1gjs h LYS 54 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1gjs h LYS 54 CO 0.00 1.16 0.08 0.00 -0.57 0.00 0.00 179.45 180.12 1gjs h ALA 55 N 0.76 1.83 0.49 3.86 0.00 0.51 -2.73 119.26 123.97 1gjs h ALA 55 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1gjs h ALA 55 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1gjs h ALA 55 CO 0.10 0.15 -0.23 1.25 0.00 0.00 0.00 179.25 180.51 1gjs h LEU 56 N 0.24 -0.55 -1.35 0.00 5.85 -1.20 -2.83 115.31 115.46 1gjs h LEU 56 Ca 0.06 -0.00 0.36 0.00 0.84 0.00 0.00 57.88 59.14 1gjs h LEU 56 Cb 0.02 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.08 1gjs h LEU 56 CO -0.01 -0.13 0.75 0.40 -0.34 0.00 0.00 178.44 179.11 1gjs h ILE 57 N -1.15 0.28 -0.88 4.05 1.08 -1.46 2.30 117.51 121.72 1gjs h ILE 57 Ca -0.07 -0.07 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 1gjs h ILE 57 Cb 0.52 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.28 1gjs h ILE 57 CO 0.11 0.04 0.45 0.44 -0.69 0.00 0.00 178.15 178.50 1gjs h ASP 58 N 0.21 1.13 -0.30 1.72 3.32 -1.40 0.34 116.42 121.45 1gjs h ASP 58 Ca 0.73 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 57.48 1gjs h ASP 58 Cb 2.11 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1gjs h ASP 58 CO -0.40 0.93 -0.54 -0.33 -1.72 0.00 0.00 179.24 177.18 1gjs h GLU 59 N 1.25 0.89 0.09 3.56 4.39 0.40 -1.04 114.58 124.12 1gjs h GLU 59 Ca 0.31 -0.56 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1gjs h GLU 59 Cb 0.08 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1gjs h GLU 59 CO -0.04 1.20 -0.05 0.82 -1.16 0.00 0.00 179.01 179.78 1gjs h ILE 60 N 0.68 1.13 -1.00 3.13 1.08 -0.29 -3.05 117.51 119.20 1gjs h ILE 60 Ca 0.02 -0.97 0.01 0.00 -0.39 0.00 0.00 64.86 63.53 1gjs h ILE 60 Cb 1.15 1.74 -0.05 0.00 -3.07 0.00 0.00 36.82 36.59 1gjs h ILE 60 CO 0.12 0.23 0.66 -0.07 -0.69 0.00 0.00 178.15 178.41 1gjs h LEU 61 N -0.59 1.15 -2.38 1.44 3.38 -0.40 0.39 115.31 118.30 1gjs h LEU 61 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gjs h LEU 61 Cb 0.48 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1gjs h LEU 61 CO 0.02 0.83 0.21 0.00 0.09 0.00 0.00 178.44 179.58 1gjs h ALA 62 N 1.37 1.24 0.00 1.53 0.00 -1.13 0.55 119.26 122.82 1gjs h ALA 62 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1gjs h ALA 62 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1gjs h ALA 62 CO -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1gjs n ALA 63 N -1.99 2.24 -3.55 0.00 0.00 0.13 -4.02 120.51 113.32 1gjs n ALA 63 Ca -0.02 -0.12 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 1gjs n ALA 63 Cb 0.27 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.24 1gjs n ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gjs n LEU 64 N -1.20 1.46 0.00 0.00 4.77 0.19 -5.14 117.00 117.08 1gjs n LEU 64 Ca 0.13 -4.87 0.00 0.00 -0.03 0.00 0.00 56.01 51.24 1gjs n LEU 64 Cb 0.15 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1gjs n LEU 64 CO 0.16 1.88 0.23 -2.65 -1.33 0.00 0.00 177.39 175.69