#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjs s LYS 2 N 0.00 4.26 0.00 0.03 -0.14 -1.26 -4.86 119.74 117.77 1gjs s LYS 2 Ca 0.00 1.95 0.00 0.00 -1.36 0.00 0.00 55.97 56.56 1gjs s LYS 2 Cb 0.00 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1gjs s LYS 2 CO 0.00 -0.18 0.16 0.00 -0.76 0.00 0.00 175.35 174.57 1gjs n ALA 3 N 0.51 0.90 -2.89 5.17 0.00 -1.26 -5.12 120.51 117.82 1gjs n ALA 3 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 1gjs n ALA 3 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 1gjs n ALA 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1gjs s ILE 4 N 0.00 3.15 -2.82 0.00 -5.25 -1.26 -4.99 121.20 110.03 1gjs s ILE 4 Ca 0.00 -0.64 0.23 0.00 -0.99 0.00 0.00 60.65 59.25 1gjs s ILE 4 Cb 0.00 -2.30 0.24 0.00 2.95 0.00 0.00 42.46 43.34 1gjs s ILE 4 CO 0.00 0.54 1.27 0.49 -1.79 0.00 0.00 174.94 175.46 1gjs n PHE 5 N 3.14 0.11 -4.50 1.37 3.72 -1.26 -4.90 117.46 115.15 1gjs n PHE 5 Ca -0.18 -0.05 -0.34 0.00 -0.05 0.00 0.00 57.45 56.83 1gjs n PHE 5 Cb 0.53 -0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.94 1gjs n PHE 5 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1gjs s VAL 6 N -1.85 3.74 0.00 -4.37 -7.23 -1.26 -4.91 120.40 104.52 1gjs s VAL 6 Ca 0.30 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 1gjs s VAL 6 Cb 0.20 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1gjs s VAL 6 CO 0.30 0.52 0.00 -0.11 -0.31 0.00 0.00 175.10 175.49 1gjs n LEU 7 N 3.30 0.00 -0.28 1.32 0.00 -1.24 -4.80 117.00 115.30 1gjs n LEU 7 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.78 1gjs n LEU 7 Cb 0.53 0.29 0.06 0.00 0.00 0.00 0.00 43.42 44.29 1gjs n LEU 7 CO 0.32 -0.40 1.09 -0.55 0.00 0.00 0.00 177.39 177.85 1gjs h ASN 8 N 0.00 0.98 0.48 1.96 7.08 -1.95 -3.14 115.58 121.00 1gjs h ASN 8 Ca 0.00 -0.12 -0.02 0.00 -3.08 0.00 0.00 56.30 53.07 1gjs h ASN 8 Cb 0.00 -0.25 0.00 0.00 -2.08 0.00 0.00 38.32 35.99 1gjs h ASN 8 CO 0.00 0.83 -0.23 0.00 -2.08 0.00 0.00 177.43 175.94 1gjs h ALA 9 N 1.19 -0.65 -3.16 4.14 0.00 -1.97 -3.43 119.26 115.37 1gjs h ALA 9 Ca 0.26 -0.14 -0.63 0.00 0.00 0.00 0.00 54.91 54.40 1gjs h ALA 9 Cb 0.10 0.25 -0.35 0.00 0.00 0.00 0.00 17.79 17.79 1gjs h ALA 9 CO -0.04 -0.60 -0.85 -0.65 0.00 0.00 0.00 179.25 177.11 1gjs s GLN 10 N -3.65 2.59 0.03 0.00 -1.52 -1.20 -5.03 119.66 110.88 1gjs s GLN 10 Ca -0.09 -0.68 -0.24 0.00 -1.95 0.00 0.00 55.36 52.39 1gjs s GLN 10 Cb 0.01 -2.22 -0.18 0.00 -0.22 0.00 0.00 33.01 30.40 1gjs s GLN 10 CO 0.28 -0.14 1.51 0.45 -0.25 0.00 0.00 175.29 177.14 1gjs h HIS 11 N 7.70 -0.00 -2.22 0.91 3.86 -1.83 -3.30 115.15 120.27 1gjs h HIS 11 Ca -0.37 -0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.10 1gjs h HIS 11 Cb 1.16 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.57 1gjs h HIS 11 CO 0.47 0.24 0.74 0.34 0.86 0.00 0.00 177.93 180.58 1gjs s ASP 12 N -5.44 -0.01 0.25 2.45 -1.08 -1.26 -4.85 116.67 106.73 1gjs s ASP 12 Ca -0.14 -0.40 -0.06 0.00 -0.52 0.00 0.00 52.55 51.43 1gjs s ASP 12 Cb 0.04 0.31 0.26 0.00 -1.46 0.00 0.00 42.92 42.07 1gjs s ASP 12 CO 0.67 -0.61 1.93 -0.33 0.52 0.00 0.00 175.17 177.34 1gjs h GLU 13 N 2.00 1.32 -7.34 4.34 3.07 -2.02 -3.41 114.58 112.53 1gjs h GLU 13 Ca -0.26 -0.08 -0.51 0.00 -0.50 0.00 0.00 59.36 58.02 1gjs h GLU 13 Cb 1.20 -0.30 0.06 0.00 -0.84 0.00 0.00 28.75 28.87 1gjs h GLU 13 CO 0.33 0.87 0.41 0.00 -1.40 0.00 0.00 179.01 179.22 1gjs s ALA 14 N -6.12 3.08 0.16 3.43 0.00 -1.26 -5.08 121.76 115.97 1gjs s ALA 14 Ca -0.13 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.83 1gjs s ALA 14 Cb 0.18 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1gjs s ALA 14 CO 0.82 -0.67 -0.11 0.14 0.00 0.00 0.00 175.76 175.93 1gjs s VAL 15 N -3.12 1.35 0.89 0.00 -7.23 -1.26 -4.90 120.40 106.12 1gjs s VAL 15 Ca 0.55 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 58.51 1gjs s VAL 15 Cb -0.11 -1.91 0.19 0.00 0.56 0.00 0.00 36.38 35.11 1gjs s VAL 15 CO 0.52 -0.70 1.22 1.51 -0.31 0.00 0.00 175.10 177.34 1gjs s ASP 16 N -3.21 3.39 -0.10 4.85 -4.77 -1.26 -5.03 116.67 110.54 1gjs s ASP 16 Ca 0.19 -0.07 0.15 0.00 -3.30 0.00 0.00 52.55 49.52 1gjs s ASP 16 Cb 0.02 -0.02 0.33 0.00 -1.09 0.00 0.00 42.92 42.16 1gjs s ASP 16 CO 0.02 -2.53 1.16 0.00 0.70 0.00 0.00 175.17 174.52 1gjs n ALA 17 N -3.48 2.76 -0.06 2.11 0.00 -1.26 -4.79 120.51 115.79 1gjs n ALA 17 Ca 0.16 -2.54 -0.08 0.00 0.00 0.00 0.00 53.44 50.98 1gjs n ALA 17 Cb 0.60 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.53 3.05 -0.31 0.00 5.15 -1.26 -4.53 115.26 116.83 1gjs n ASN 18 Ca 0.12 -0.06 -0.03 0.00 -0.60 0.00 0.00 54.58 54.01 1gjs n ASN 18 Cb 0.82 -0.11 0.12 0.00 -0.53 0.00 0.00 39.78 40.08 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 1.07 -0.00 1.20 4.64 -2.00 -2.25 113.55 116.21 1gjs h SER 19 Ca -0.26 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1gjs h SER 19 Cb 1.42 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1gjs h SER 19 CO -0.04 0.84 0.00 0.25 -0.87 0.00 0.00 176.83 177.02 1gjs h LEU 20 N 1.22 0.00 -0.49 5.97 5.85 -1.89 -0.02 115.31 125.95 1gjs h LEU 20 Ca 0.31 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1gjs h LEU 20 Cb -0.01 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1gjs h LEU 20 CO -0.05 0.00 0.32 0.00 -0.34 0.00 0.00 178.44 178.37 1gjs h ALA 21 N 1.00 0.62 -0.96 1.25 0.00 -1.74 -2.08 119.26 117.34 1gjs h ALA 21 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gjs h ALA 21 Cb -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1gjs h ALA 21 CO -0.00 0.06 0.59 1.49 0.00 0.00 0.00 179.25 181.39 1gjs h GLU 22 N 0.66 1.30 -0.59 0.00 4.81 -1.11 0.67 114.58 120.31 1gjs h GLU 22 Ca 0.18 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1gjs h GLU 22 Cb -0.07 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.00 1gjs h GLU 22 CO -0.04 0.90 0.39 0.00 -0.73 0.00 0.00 179.01 179.53 1gjs h ALA 23 N 1.32 0.75 -0.41 2.92 0.00 -0.37 0.36 119.26 123.82 1gjs h ALA 23 Ca 0.35 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 1gjs h ALA 23 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1gjs h ALA 23 CO -0.07 0.18 -0.34 0.87 0.00 0.00 0.00 179.25 179.89 1gjs h LYS 24 N 0.80 0.96 -0.00 0.00 1.57 -0.85 0.27 116.57 119.31 1gjs h LYS 24 Ca 0.22 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1gjs h LYS 24 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1gjs h LYS 24 CO -0.05 1.14 0.00 0.28 -0.57 0.00 0.00 179.45 180.25 1gjs h VAL 25 N 0.79 1.08 -0.84 0.50 2.07 -0.31 2.32 116.25 121.87 1gjs h VAL 25 Ca 0.08 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1gjs h VAL 25 Cb 0.93 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1gjs h VAL 25 CO 0.09 0.06 0.39 -0.07 0.02 0.00 0.00 177.57 178.06 1gjs h LEU 26 N -0.10 1.11 0.06 2.57 3.38 -0.24 -1.66 115.31 120.43 1gjs h LEU 26 Ca 0.00 -0.14 -0.28 0.00 0.09 0.00 0.00 57.88 57.54 1gjs h LEU 26 Cb 0.10 -0.29 0.02 0.00 0.09 0.00 0.00 40.66 40.59 1gjs h LEU 26 CO -0.00 0.95 -1.17 0.00 0.09 0.00 0.00 178.44 178.31 1gjs h ALA 27 N 1.21 0.07 -0.34 1.53 0.00 -0.61 -2.92 119.26 118.21 1gjs h ALA 27 Ca 0.29 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gjs h ALA 27 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1gjs h ALA 27 CO -0.03 0.72 0.22 -0.97 0.00 0.00 0.00 179.25 179.19 1gjs h ASN 28 N 0.28 0.38 0.66 0.00 -0.73 0.41 -1.97 115.58 114.62 1gjs h ASN 28 Ca -0.16 -0.01 -0.06 0.00 1.87 0.00 0.00 56.30 57.94 1gjs h ASN 28 Cb 1.84 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 40.32 1gjs h ASN 28 CO 0.22 0.28 -0.30 0.08 -0.37 0.00 0.00 177.43 177.34 1gjs h ARG 29 N 0.45 0.00 -0.98 6.67 0.11 -1.40 -2.85 114.38 116.38 1gjs h ARG 29 Ca 0.12 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.21 1gjs h ARG 29 Cb -0.05 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 30.98 1gjs h ARG 29 CO -0.03 0.30 0.65 1.49 0.10 0.00 0.00 179.97 182.48 1gjs h GLU 30 N 0.00 1.30 -0.02 0.08 4.81 -1.15 -0.78 114.58 118.81 1gjs h GLU 30 Ca -0.00 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1gjs h GLU 30 Cb 0.71 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1gjs h GLU 30 CO 0.04 0.86 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.81 1gjs h LEU 31 N 1.34 0.04 -1.24 1.64 3.38 -1.32 -2.46 115.31 116.68 1gjs h LEU 31 Ca 0.36 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1gjs h LEU 31 Cb -0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1gjs h LEU 31 CO -0.08 0.35 0.52 -0.78 0.09 0.00 0.00 178.44 178.53 1gjs h ASP 32 N 0.04 0.88 -0.90 -0.43 1.82 -1.14 0.66 116.42 117.35 1gjs h ASP 32 Ca 0.00 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1gjs h ASP 32 Cb 0.56 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.31 1gjs h ASP 32 CO 0.04 0.63 0.60 0.11 -1.61 0.00 0.00 179.24 179.01 1gjs h LYS 33 N 1.04 1.18 0.00 0.28 1.57 -1.27 -1.08 116.57 118.30 1gjs h LYS 33 Ca 0.29 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1gjs h LYS 33 Cb -0.10 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 31.95 1gjs h LYS 33 CO -0.07 0.78 -0.12 0.66 -0.57 0.00 0.00 179.45 180.14 1gjs n TYR 34 N -4.46 0.56 -2.21 -1.35 4.01 -0.64 -4.92 117.16 108.15 1gjs n TYR 34 Ca 0.10 0.16 -0.11 0.00 -0.16 0.00 0.00 57.90 57.90 1gjs n TYR 34 Cb 0.02 -0.73 -0.00 0.00 -0.31 0.00 0.00 39.34 38.31 1gjs n TYR 34 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gjs n GLY 35 N 1.38 -0.07 3.61 2.72 0.00 0.13 -4.98 105.19 107.98 1gjs n GLY 35 Ca 0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1gjs n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gjs n VAL 36 N -4.01 0.00 -0.83 1.61 0.31 -1.07 -4.94 118.33 109.41 1gjs n VAL 36 Ca -0.12 -0.13 -0.31 0.00 -0.01 0.00 0.00 64.34 63.77 1gjs n VAL 36 Cb 0.60 -1.00 0.16 0.00 -0.91 0.00 0.00 33.84 32.69 1gjs n VAL 36 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1gjs s SER 37 N -2.57 3.08 0.30 4.52 1.04 -1.26 -4.86 113.70 113.95 1gjs s SER 37 Ca 0.67 2.01 0.24 0.00 0.48 0.00 0.00 55.95 59.36 1gjs s SER 37 Cb -0.24 -2.51 1.09 0.00 0.10 0.00 0.00 66.02 64.46 1gjs s SER 37 CO 0.60 -2.97 1.74 -0.78 0.98 0.00 0.00 173.24 172.81 1gjs h ASP 38 N -1.78 0.00 -0.03 7.02 1.82 -2.01 -3.07 116.42 118.38 1gjs h ASP 38 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1gjs h ASP 38 Cb 1.27 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.28 1gjs h ASP 38 CO 0.45 0.00 0.02 0.22 -1.61 0.00 0.00 179.24 178.32 1gjs h TYR 39 N 0.00 0.03 -0.75 0.28 5.03 -2.00 -1.06 116.97 118.51 1gjs h TYR 39 Ca 0.00 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 1gjs h TYR 39 Cb 0.29 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 1gjs h TYR 39 CO 0.00 0.02 0.22 1.88 -1.32 0.00 0.00 178.16 178.96 1gjs h TYR 40 N 0.03 1.21 -0.49 -3.82 0.05 -1.90 -2.00 116.97 110.05 1gjs h TYR 40 Ca 0.01 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 1gjs h TYR 40 Cb -0.00 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.36 1gjs h TYR 40 CO -0.08 0.96 0.29 0.87 -1.05 0.00 0.00 178.16 179.15 1gjs h LYS 41 N 1.12 0.67 -1.00 4.88 1.57 -1.59 -1.93 116.57 120.28 1gjs h LYS 41 Ca 0.24 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1gjs h LYS 41 Cb 0.32 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1gjs h LYS 41 CO -0.01 0.49 0.66 -0.97 -0.57 0.00 0.00 179.45 179.06 1gjs h ASN 42 N 0.65 1.15 -1.01 0.86 -1.24 -0.94 -1.86 115.58 113.19 1gjs h ASN 42 Ca 0.17 -0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.16 1gjs h ASN 42 Cb 0.01 -0.29 -0.05 0.00 0.73 0.00 0.00 38.32 38.72 1gjs h ASN 42 CO -0.03 0.84 0.67 0.25 -1.29 0.00 0.00 177.43 177.86 1gjs h LEU 43 N 1.36 1.15 -0.96 0.34 5.85 -0.61 -1.84 115.31 120.61 1gjs h LEU 43 Ca 0.37 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 1gjs h LEU 43 Cb -0.16 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.54 1gjs h LEU 43 CO -0.08 0.83 0.59 0.40 -0.34 0.00 0.00 178.44 179.85 1gjs h ILE 44 N 1.36 1.26 -0.47 4.05 1.08 -0.80 -1.17 117.51 122.82 1gjs h ILE 44 Ca 0.37 -0.54 0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1gjs h ILE 44 Cb -0.15 -0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 33.46 1gjs h ILE 44 CO -0.08 0.27 0.32 0.78 -0.69 0.00 0.00 178.15 178.74 1gjs h ASN 45 N 1.32 0.35 -1.67 1.72 -0.26 -1.06 -1.87 115.58 114.10 1gjs h ASN 45 Ca 0.35 -0.00 -0.69 0.00 -0.56 0.00 0.00 56.30 55.40 1gjs h ASN 45 Cb -0.08 -0.08 -0.25 0.00 -1.06 0.00 0.00 38.32 36.86 1gjs h ASN 45 CO -0.07 0.23 0.87 -3.20 -1.06 0.00 0.00 177.43 174.21 1gjs n ASN 46 N -4.47 7.26 -4.65 5.81 5.15 -0.44 -4.97 115.26 118.94 1gjs n ASN 46 Ca 0.06 -3.66 -0.43 0.00 -0.60 0.00 0.00 54.58 49.95 1gjs n ASN 46 Cb 0.24 -1.10 -0.03 0.00 -0.53 0.00 0.00 39.78 38.36 1gjs n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gjs s ALA 47 N -3.43 3.49 0.14 5.20 0.00 -0.70 -4.88 121.76 121.58 1gjs s ALA 47 Ca 0.54 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 1gjs s ALA 47 Cb 0.43 -3.77 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1gjs s ALA 47 CO -0.34 -1.58 1.47 -0.22 0.00 0.00 0.00 175.76 175.10 1gjs h LYS 48 N 9.83 0.94 -4.08 0.00 3.64 -1.91 -3.46 116.57 121.54 1gjs h LYS 48 Ca -0.35 -0.51 -0.17 0.00 -1.27 0.00 0.00 60.65 58.35 1gjs h LYS 48 Cb 1.16 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 32.80 1gjs h LYS 48 CO 0.97 1.16 -0.70 0.99 -2.27 0.00 0.00 179.45 179.61 1gjs s THR 49 N -4.37 0.18 0.11 1.00 2.01 -1.26 -5.04 115.64 108.26 1gjs s THR 49 Ca -0.11 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 60.60 1gjs s THR 49 Cb 0.11 -0.50 -0.10 0.00 0.01 0.00 0.00 72.50 72.01 1gjs s THR 49 CO 0.88 -0.57 1.76 0.58 -0.69 0.00 0.00 174.62 176.58 1gjs h VAL 50 N 4.38 1.03 -0.18 3.82 2.07 -2.00 -1.65 116.25 123.73 1gjs h VAL 50 Ca -0.33 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1gjs h VAL 50 Cb 1.20 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1gjs h VAL 50 CO 0.45 0.03 0.12 1.05 0.02 0.00 0.00 177.57 179.24 1gjs h GLU 51 N 0.15 0.24 0.00 1.57 4.11 -2.01 0.13 114.58 118.77 1gjs h GLU 51 Ca 0.04 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 1gjs h GLU 51 Cb -0.02 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1gjs h GLU 51 CO -0.01 0.16 -0.15 0.78 0.07 0.00 0.00 179.01 179.86 1gjs h GLY 52 N 0.24 0.00 0.87 1.06 0.00 -1.72 -2.51 103.07 101.02 1gjs h GLY 52 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1gjs h GLY 52 CO -0.01 0.00 -0.04 -2.08 0.00 0.00 0.00 176.54 174.40 1gjs h VAL 53 N 0.00 1.00 -0.26 4.60 2.07 -0.32 0.76 116.25 124.10 1gjs h VAL 53 Ca -0.00 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.03 1gjs h VAL 53 Cb 0.44 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1gjs h VAL 53 CO 0.02 0.07 -0.60 0.11 0.02 0.00 0.00 177.57 177.19 1gjs h LYS 54 N -0.25 0.87 -0.28 1.57 1.57 -1.60 -3.06 116.57 115.39 1gjs h LYS 54 Ca -0.01 -0.58 -0.09 0.00 -1.87 0.00 0.00 60.65 58.10 1gjs h LYS 54 Cb 0.21 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1gjs h LYS 54 CO 0.02 1.21 -0.20 0.00 -0.57 0.00 0.00 179.45 179.91 1gjs h ALA 55 N 0.65 1.13 -0.56 3.86 0.00 -1.41 -1.98 119.26 120.96 1gjs h ALA 55 Ca -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1gjs h ALA 55 Cb 1.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1gjs h ALA 55 CO 0.13 0.54 0.01 1.25 0.00 0.00 0.00 179.25 181.18 1gjs h LEU 56 N 0.47 0.95 -0.79 0.00 5.85 -0.83 -1.64 115.31 119.31 1gjs h LEU 56 Ca 0.08 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1gjs h LEU 56 Cb 0.61 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1gjs h LEU 56 CO 0.04 1.02 -0.21 0.40 -0.34 0.00 0.00 178.44 179.36 1gjs h ILE 57 N 0.86 1.27 -0.99 4.05 1.08 -1.41 -1.55 117.51 120.82 1gjs h ILE 57 Ca 0.16 -1.28 0.01 0.00 -0.39 0.00 0.00 64.86 63.36 1gjs h ILE 57 Cb 0.53 1.22 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 1gjs h ILE 57 CO 0.03 0.42 0.65 -0.78 -0.69 0.00 0.00 178.15 177.78 1gjs h ASP 58 N 0.60 1.13 -0.39 1.72 1.82 -0.88 0.83 116.42 121.26 1gjs h ASP 58 Ca 0.09 -0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.54 1gjs h ASP 58 Cb 0.68 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1gjs h ASP 58 CO 0.05 0.82 -0.37 -0.33 -1.61 0.00 0.00 179.24 177.79 1gjs h GLU 59 N 1.33 0.94 -0.49 0.28 5.08 -0.91 0.73 114.58 121.55 1gjs h GLU 59 Ca 0.36 -0.49 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 1gjs h GLU 59 Cb -0.15 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1gjs h GLU 59 CO -0.08 1.15 -0.21 0.82 -1.00 0.00 0.00 179.01 179.69 1gjs h ILE 60 N 0.77 1.27 -0.00 3.13 2.04 -0.38 -2.71 117.51 121.62 1gjs h ILE 60 Ca 0.07 -1.37 -0.11 0.00 1.00 0.00 0.00 64.86 64.45 1gjs h ILE 60 Cb 0.97 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1gjs h ILE 60 CO 0.09 0.47 -0.50 -0.07 0.00 0.00 0.00 178.15 178.15 1gjs h LEU 61 N 0.86 0.00 -2.18 1.44 3.38 0.79 -2.65 115.31 116.95 1gjs h LEU 61 Ca 0.11 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1gjs h LEU 61 Cb 0.79 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1gjs h LEU 61 CO 0.07 0.50 0.05 0.00 0.09 0.00 0.00 178.44 179.15 1gjs h ALA 62 N 1.50 1.85 -0.98 1.53 0.00 -0.52 -0.94 119.26 121.71 1gjs h ALA 62 Ca -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gjs h ALA 62 Cb 0.89 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1gjs h ALA 62 CO 0.07 -0.07 0.64 0.00 0.00 0.00 0.00 179.25 179.88 1gjs h ALA 63 N 1.96 1.24 -2.56 0.00 0.00 -1.43 -3.41 119.26 115.05 1gjs h ALA 63 Ca 0.03 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 54.37 1gjs h ALA 63 Cb 0.12 -0.40 0.06 0.00 0.00 0.00 0.00 17.79 17.58 1gjs h ALA 63 CO -0.00 0.63 0.43 -0.51 0.00 0.00 0.00 179.25 179.80 1gjs s LEU 64 N -10.12 3.79 0.00 0.00 1.43 -0.36 -5.17 118.68 108.25 1gjs s LEU 64 Ca -0.13 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1gjs s LEU 64 Cb 0.18 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1gjs s LEU 64 CO 0.82 -1.12 0.50 -0.81 0.23 0.00 0.00 176.35 175.97