#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjs n LYS 2 N 0.00 1.74 -3.44 0.03 -0.00 -1.26 -4.85 118.16 110.38 1gjs n LYS 2 Ca 0.00 -1.07 -0.37 0.00 -0.00 0.00 0.00 58.31 56.87 1gjs n LYS 2 Cb 0.00 -1.47 -0.06 0.00 -0.00 0.00 0.00 35.03 33.49 1gjs n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gjs s ALA 3 N -1.98 3.56 0.25 0.58 0.00 -1.26 -5.07 121.76 117.83 1gjs s ALA 3 Ca 0.37 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1gjs s ALA 3 Cb 0.21 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1gjs s ALA 3 CO 0.33 0.11 0.15 0.96 0.00 0.00 0.00 175.76 177.31 1gjs s ILE 4 N 0.32 0.13 0.24 0.00 -4.36 -1.26 -5.11 121.20 111.17 1gjs s ILE 4 Ca 0.22 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.31 1gjs s ILE 4 Cb -0.14 -2.52 -0.15 0.00 1.25 0.00 0.00 42.46 40.90 1gjs s ILE 4 CO 0.08 0.00 1.10 0.33 0.24 0.00 0.00 174.94 176.69 1gjs n PHE 5 N -0.41 1.36 -2.43 1.37 7.35 -1.26 -4.87 117.46 118.57 1gjs n PHE 5 Ca 0.02 0.67 -0.41 0.00 -0.76 0.00 0.00 57.45 56.97 1gjs n PHE 5 Cb 0.65 -2.28 -0.04 0.00 0.35 0.00 0.00 39.48 38.17 1gjs n PHE 5 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1gjs s VAL 6 N -0.66 3.73 0.00 -2.13 -7.23 -1.26 -4.75 120.40 108.10 1gjs s VAL 6 Ca 0.64 1.45 0.00 0.00 -1.81 0.00 0.00 61.98 62.26 1gjs s VAL 6 Cb -0.75 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 32.27 1gjs s VAL 6 CO 0.56 0.23 0.00 0.00 -0.31 0.00 0.00 175.10 175.58 1gjs n LEU 7 N 2.58 0.00 -0.08 1.32 -0.00 -1.26 -4.96 117.00 114.60 1gjs n LEU 7 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.92 1gjs n LEU 7 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.86 1gjs n LEU 7 CO 0.55 0.00 0.49 -0.55 -0.00 0.00 0.00 177.39 177.88 1gjs h ASN 8 N 0.00 0.94 -3.32 1.45 -1.07 -1.99 -3.44 115.58 108.15 1gjs h ASN 8 Ca 0.00 -0.47 -0.53 0.00 0.07 0.00 0.00 56.30 55.36 1gjs h ASN 8 Cb 0.00 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 35.96 1gjs h ASN 8 CO 0.00 1.26 -0.14 0.00 0.07 0.00 0.00 177.43 178.62 1gjs s ALA 9 N -4.23 3.61 0.70 4.14 0.00 -1.26 -5.09 121.76 119.63 1gjs s ALA 9 Ca -0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 1gjs s ALA 9 Cb 0.11 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.90 1gjs s ALA 9 CO 0.88 0.41 1.07 -0.65 0.00 0.00 0.00 175.76 177.47 1gjs s GLN 10 N -3.12 2.74 -0.98 0.00 -0.21 -1.26 -4.81 119.66 112.03 1gjs s GLN 10 Ca 0.45 0.32 -0.13 0.00 0.02 0.00 0.00 55.36 56.02 1gjs s GLN 10 Cb -0.11 -2.06 -0.30 0.00 1.00 0.00 0.00 33.01 31.53 1gjs s GLN 10 CO 0.25 -1.05 2.25 0.72 -2.12 0.00 0.00 175.29 175.34 1gjs n HIS 11 N -2.97 0.19 -0.33 0.91 8.25 -1.26 -4.70 115.22 115.30 1gjs n HIS 11 Ca 0.07 0.05 -0.04 0.00 -0.26 0.00 0.00 57.72 57.54 1gjs n HIS 11 Cb 0.58 -0.95 0.09 0.00 1.12 0.00 0.00 29.99 30.83 1gjs n HIS 11 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1gjs h ASP 12 N 11.39 1.13 0.00 0.41 3.32 -2.04 -1.48 116.42 129.15 1gjs h ASP 12 Ca 0.02 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1gjs h ASP 12 Cb 1.15 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1gjs h ASP 12 CO 1.54 0.92 0.09 1.05 -1.72 0.00 0.00 179.24 181.12 1gjs h GLU 13 N 1.26 0.00 -6.38 3.56 9.09 -2.02 -3.42 114.58 116.67 1gjs h GLU 13 Ca 0.31 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 59.11 1gjs h GLU 13 Cb 0.05 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.20 1gjs h GLU 13 CO -0.05 0.00 0.85 0.00 0.05 0.00 0.00 179.01 179.87 1gjs n ALA 14 N -2.03 0.80 0.04 1.06 0.00 -0.56 -4.85 120.51 114.96 1gjs n ALA 14 Ca -0.03 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 1gjs n ALA 14 Cb 0.15 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.18 1gjs n ALA 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gjs h VAL 15 N 4.27 1.01 -0.90 0.00 2.07 -1.89 -3.48 116.25 117.32 1gjs h VAL 15 Ca -0.46 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1gjs h VAL 15 Cb 1.27 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1gjs h VAL 15 CO 0.90 0.01 0.00 -0.90 0.02 0.00 0.00 177.57 177.60 1gjs n ASP 16 N -5.08 0.00 0.00 0.57 5.75 -1.26 -5.09 116.55 111.43 1gjs n ASP 16 Ca -0.07 -0.64 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1gjs n ASP 16 Cb 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1gjs n ASP 16 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gjs n ALA 17 N -3.00 0.00 0.29 2.12 0.00 -1.26 -4.96 120.51 113.70 1gjs n ALA 17 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1gjs n ALA 17 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 1gjs n ALA 17 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1gjs h ASN 18 N 0.00 0.00 -1.00 0.00 -0.26 -2.01 -3.01 115.58 109.30 1gjs h ASN 18 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1gjs h ASN 18 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1gjs h ASN 18 CO 0.00 0.00 0.66 0.28 -1.06 0.00 0.00 177.43 177.31 1gjs h SER 19 N 0.00 1.15 0.17 5.81 0.02 -1.98 0.13 113.55 118.85 1gjs h SER 19 Ca 0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1gjs h SER 19 Cb 0.49 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1gjs h SER 19 CO 0.00 0.84 -0.08 0.25 -1.14 0.00 0.00 176.83 176.70 1gjs h LEU 20 N 1.36 -0.19 -0.66 5.07 6.46 -1.91 -0.43 115.31 125.01 1gjs h LEU 20 Ca 0.37 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 58.03 1gjs h LEU 20 Cb -0.16 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1gjs h LEU 20 CO -0.08 -0.09 0.16 0.00 -0.62 0.00 0.00 178.44 177.81 1gjs h ALA 21 N 0.55 0.87 -1.00 1.25 0.00 -1.62 -2.74 119.26 116.58 1gjs h ALA 21 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1gjs h ALA 21 Cb 0.21 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1gjs h ALA 21 CO 0.04 0.59 0.65 1.49 0.00 0.00 0.00 179.25 182.01 1gjs h GLU 22 N 0.98 1.32 -0.77 0.00 4.81 -0.53 -1.18 114.58 119.21 1gjs h GLU 22 Ca 0.21 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1gjs h GLU 22 Cb 0.37 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1gjs h GLU 22 CO 0.00 0.89 0.50 0.00 -0.73 0.00 0.00 179.01 179.66 1gjs h ALA 23 N 1.36 1.00 -0.53 2.92 0.00 -0.77 0.54 119.26 123.78 1gjs h ALA 23 Ca 0.36 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1gjs h ALA 23 Cb -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1gjs h ALA 23 CO -0.08 0.32 -0.14 0.87 0.00 0.00 0.00 179.25 180.22 1gjs h LYS 24 N 0.98 1.03 -0.11 0.00 1.57 -1.31 0.13 116.57 118.87 1gjs h LYS 24 Ca 0.30 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1gjs h LYS 24 Cb -0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1gjs h LYS 24 CO -0.10 1.09 0.04 0.28 -0.57 0.00 0.00 179.45 180.19 1gjs h VAL 25 N 0.91 1.16 -0.75 0.50 2.07 -0.19 0.65 116.25 120.61 1gjs h VAL 25 Ca 0.13 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1gjs h VAL 25 Cb 0.72 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1gjs h VAL 25 CO 0.06 0.15 0.24 -0.07 0.02 0.00 0.00 177.57 177.96 1gjs h LEU 26 N 0.00 1.09 -0.69 2.57 3.38 0.15 -2.41 115.31 119.40 1gjs h LEU 26 Ca 0.04 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 1gjs h LEU 26 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1gjs h LEU 26 CO -0.00 1.00 -0.47 0.00 0.09 0.00 0.00 178.44 179.06 1gjs h ALA 27 N 1.12 0.87 -0.00 1.53 0.00 -0.49 -2.46 119.26 119.83 1gjs h ALA 27 Ca 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1gjs h ALA 27 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gjs h ALA 27 CO -0.01 0.66 0.00 -0.97 0.00 0.00 0.00 179.25 178.93 1gjs h ASN 28 N 0.35 0.00 0.87 0.00 -0.73 0.79 -2.04 115.58 114.82 1gjs h ASN 28 Ca 0.02 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 1gjs h ASN 28 Cb 0.96 -0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.55 1gjs h ASN 28 CO 0.08 0.00 -0.14 0.08 -0.37 0.00 0.00 177.43 177.09 1gjs h ARG 29 N 0.00 0.00 -0.97 6.67 0.11 -1.44 -2.97 114.38 115.78 1gjs h ARG 29 Ca 0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.09 1gjs h ARG 29 Cb 0.00 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 1gjs h ARG 29 CO -0.00 0.14 0.64 1.49 0.10 0.00 0.00 179.97 182.34 1gjs h GLU 30 N 0.00 1.28 -0.05 0.08 4.81 -0.87 -0.96 114.58 118.87 1gjs h GLU 30 Ca -0.00 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1gjs h GLU 30 Cb 0.61 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1gjs h GLU 30 CO 0.02 0.84 -0.49 -0.07 -0.73 0.00 0.00 179.01 178.59 1gjs h LEU 31 N 1.31 0.12 -1.01 1.64 3.38 -1.42 -2.96 115.31 116.38 1gjs h LEU 31 Ca 0.36 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1gjs h LEU 31 Cb -0.15 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1gjs h LEU 31 CO -0.08 0.59 0.67 -0.78 0.09 0.00 0.00 178.44 178.93 1gjs h ASP 32 N 0.09 1.16 -0.67 -0.43 1.82 -1.19 0.55 116.42 117.76 1gjs h ASP 32 Ca 0.00 -0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1gjs h ASP 32 Cb 0.89 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 1gjs h ASP 32 CO 0.07 0.84 0.45 0.11 -1.61 0.00 0.00 179.24 179.10 1gjs h LYS 33 N 1.37 0.88 0.00 0.28 1.57 -1.29 -2.03 116.57 117.36 1gjs h LYS 33 Ca 0.37 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.01 1gjs h LYS 33 Cb -0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 31.94 1gjs h LYS 33 CO -0.08 0.59 -0.42 1.88 -0.57 0.00 0.00 179.45 180.85 1gjs h TYR 34 N 0.91 0.00 0.00 -1.35 0.05 -1.49 -3.47 116.97 111.63 1gjs h TYR 34 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1gjs h TYR 34 Cb -0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.63 1gjs h TYR 34 CO -0.03 0.42 0.00 0.41 -1.05 0.00 0.00 178.16 177.91 1gjs n GLY 35 N 0.64 1.07 3.70 3.88 0.00 0.13 -5.05 105.19 109.56 1gjs n GLY 35 Ca 0.01 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1gjs n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gjs s VAL 36 N -2.00 2.53 0.87 1.61 1.01 -0.97 -4.95 120.40 118.50 1gjs s VAL 36 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 1gjs s VAL 36 Cb 0.00 -2.39 0.12 0.00 0.00 0.00 0.00 36.38 34.11 1gjs s VAL 36 CO 0.00 -0.23 1.17 -0.55 0.00 0.00 0.00 175.10 175.50 1gjs s SER 37 N -2.96 3.16 0.29 3.32 0.15 -1.26 -4.86 113.70 111.53 1gjs s SER 37 Ca 0.65 2.28 0.25 0.00 0.70 0.00 0.00 55.95 59.82 1gjs s SER 37 Cb -0.21 -2.58 1.02 0.00 -1.71 0.00 0.00 66.02 62.54 1gjs s SER 37 CO 0.58 -2.95 1.74 -2.24 1.20 0.00 0.00 173.24 171.56 1gjs h ASP 38 N -1.48 0.00 -0.33 5.45 2.03 -2.00 -3.09 116.42 117.00 1gjs h ASP 38 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1gjs h ASP 38 Cb 1.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.77 1gjs h ASP 38 CO 0.43 0.00 0.22 0.22 -1.03 0.00 0.00 179.24 179.08 1gjs h TYR 39 N 0.00 0.42 -0.12 4.15 3.20 -2.01 -2.17 116.97 120.44 1gjs h TYR 39 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1gjs h TYR 39 Cb 0.38 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1gjs h TYR 39 CO 0.00 0.26 0.08 1.88 -1.64 0.00 0.00 178.16 178.74 1gjs h TYR 40 N 0.45 0.14 -0.05 -3.82 0.05 -1.91 -2.01 116.97 109.82 1gjs h TYR 40 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 1gjs h TYR 40 Cb -0.05 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 1gjs h TYR 40 CO -0.05 0.09 0.03 0.87 -1.05 0.00 0.00 178.16 178.05 1gjs h LYS 41 N 0.15 0.07 -0.71 4.88 1.79 -1.54 -1.60 116.57 119.60 1gjs h LYS 41 Ca 0.04 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1gjs h LYS 41 Cb -0.01 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 1gjs h LYS 41 CO -0.01 0.04 0.47 -0.97 -1.08 0.00 0.00 179.45 177.91 1gjs h ASN 42 N 0.07 0.81 -0.99 0.86 -0.73 -1.28 -1.46 115.58 112.86 1gjs h ASN 42 Ca 0.02 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.18 1gjs h ASN 42 Cb -0.01 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 38.33 1gjs h ASN 42 CO -0.00 0.59 0.66 0.25 -0.37 0.00 0.00 177.43 178.55 1gjs h LEU 43 N 0.96 1.14 -0.88 0.34 5.85 -0.73 -1.54 115.31 120.45 1gjs h LEU 43 Ca 0.26 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1gjs h LEU 43 Cb -0.11 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.60 1gjs h LEU 43 CO -0.06 0.82 0.58 0.40 -0.34 0.00 0.00 178.44 179.85 1gjs h ILE 44 N 1.34 1.23 -1.01 4.05 1.08 -0.57 -1.29 117.51 122.34 1gjs h ILE 44 Ca 0.36 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1gjs h ILE 44 Cb -0.15 -0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 33.47 1gjs h ILE 44 CO -0.08 0.22 0.67 0.78 -0.69 0.00 0.00 178.15 179.05 1gjs h ASN 45 N 1.20 1.15 -1.00 1.72 2.35 -1.12 -2.11 115.58 117.76 1gjs h ASN 45 Ca 0.32 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1gjs h ASN 45 Cb -0.14 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 37.90 1gjs h ASN 45 CO -0.07 0.83 0.66 -1.13 -1.65 0.00 0.00 177.43 176.07 1gjs h ASN 46 N 1.36 1.15 -1.68 5.81 -1.24 -0.60 -3.42 115.58 116.96 1gjs h ASN 46 Ca 0.37 -0.03 -0.69 0.00 0.71 0.00 0.00 56.30 56.66 1gjs h ASN 46 Cb -0.15 -0.29 0.04 0.00 0.73 0.00 0.00 38.32 38.66 1gjs h ASN 46 CO -0.08 0.84 0.60 0.00 -1.29 0.00 0.00 177.43 177.50 1gjs n ALA 47 N -2.38 -0.61 0.05 1.57 0.00 -0.80 -4.83 120.51 113.51 1gjs n ALA 47 Ca 0.12 0.47 0.12 0.00 0.00 0.00 0.00 53.44 54.15 1gjs n ALA 47 Cb 0.01 -2.14 0.26 0.00 0.00 0.00 0.00 19.45 17.58 1gjs n ALA 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1gjs n LYS 48 N 3.40 2.60 -3.79 0.00 -0.00 -1.26 -4.91 118.16 114.21 1gjs n LYS 48 Ca 0.20 -2.45 -0.13 0.00 -0.00 0.00 0.00 58.31 55.94 1gjs n LYS 48 Cb 0.18 -1.54 -0.12 0.00 -0.00 0.00 0.00 35.03 33.55 1gjs n LYS 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1gjs s THR 49 N -1.31 -0.01 0.31 0.58 2.01 -1.26 -5.04 115.64 110.92 1gjs s THR 49 Ca 0.43 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.56 1gjs s THR 49 Cb 0.24 -0.29 0.04 0.00 0.01 0.00 0.00 72.50 72.50 1gjs s THR 49 CO 0.33 0.02 1.72 1.62 -0.69 0.00 0.00 174.62 177.61 1gjs h VAL 50 N 5.11 1.32 -0.75 3.82 3.04 -1.91 -2.46 116.25 124.43 1gjs h VAL 50 Ca -0.29 -1.56 0.01 0.00 -1.01 0.00 0.00 66.70 63.84 1gjs h VAL 50 Cb 1.18 1.77 -0.04 0.00 -2.01 0.00 0.00 31.29 32.20 1gjs h VAL 50 CO 0.39 0.46 0.50 1.05 -1.01 0.00 0.00 177.57 178.95 1gjs h GLU 51 N 0.11 0.99 0.00 4.17 4.11 -2.01 -0.47 114.58 121.48 1gjs h GLU 51 Ca 0.01 -0.06 -0.16 0.00 0.07 0.00 0.00 59.36 59.22 1gjs h GLU 51 Cb 0.82 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1gjs h GLU 51 CO 0.06 0.65 -0.76 0.78 0.07 0.00 0.00 179.01 179.82 1gjs h GLY 52 N 1.02 0.00 0.94 1.06 0.00 -1.93 -2.97 103.07 101.19 1gjs h GLY 52 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1gjs h GLY 52 CO -0.06 0.00 0.00 -2.08 0.00 0.00 0.00 176.54 174.40 1gjs h VAL 53 N 0.00 1.05 -0.74 4.60 2.07 -0.64 0.54 116.25 123.13 1gjs h VAL 53 Ca -0.01 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1gjs h VAL 53 Cb 1.35 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1gjs h VAL 53 CO 0.10 0.04 0.21 0.11 0.02 0.00 0.00 177.57 178.05 1gjs h LYS 54 N -0.05 1.16 -0.15 1.57 1.79 -1.48 -2.48 116.57 116.94 1gjs h LYS 54 Ca 0.00 -0.26 -0.12 0.00 -2.18 0.00 0.00 60.65 58.09 1gjs h LYS 54 Cb 0.06 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1gjs h LYS 54 CO -0.00 1.00 -0.43 0.00 -1.08 0.00 0.00 179.45 178.94 1gjs h ALA 55 N 1.11 0.99 -0.02 3.86 0.00 -1.32 -1.99 119.26 121.90 1gjs h ALA 55 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1gjs h ALA 55 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1gjs h ALA 55 CO -0.00 0.62 0.01 1.25 0.00 0.00 0.00 179.25 181.13 1gjs h LEU 56 N 0.29 0.02 -1.09 0.00 5.85 0.53 -0.20 115.31 120.71 1gjs h LEU 56 Ca 0.02 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1gjs h LEU 56 Cb 0.88 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1gjs h LEU 56 CO 0.07 0.02 0.00 0.40 -0.34 0.00 0.00 178.44 178.59 1gjs h ILE 57 N 0.02 1.22 -1.00 4.05 5.03 -1.43 -1.65 117.51 123.76 1gjs h ILE 57 Ca 0.01 -0.88 0.01 0.00 -0.12 0.00 0.00 64.86 63.88 1gjs h ILE 57 Cb 0.00 0.91 -0.05 0.00 -3.03 0.00 0.00 36.82 34.65 1gjs h ILE 57 CO -0.00 0.31 0.66 -0.78 -0.68 0.00 0.00 178.15 177.66 1gjs h ASP 58 N 0.61 1.15 -0.37 1.72 1.82 -0.53 1.05 116.42 121.86 1gjs h ASP 58 Ca 0.13 -0.03 -0.17 0.00 -0.39 0.00 0.00 57.03 56.57 1gjs h ASP 58 Cb 0.38 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 1gjs h ASP 58 CO 0.01 0.83 -0.41 -0.33 -1.61 0.00 0.00 179.24 177.73 1gjs h GLU 59 N 1.36 0.94 -0.07 0.28 5.08 -0.50 0.50 114.58 122.16 1gjs h GLU 59 Ca 0.37 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1gjs h GLU 59 Cb -0.16 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1gjs h GLU 59 CO -0.08 1.17 -0.03 0.82 -1.00 0.00 0.00 179.01 179.89 1gjs h ILE 60 N 0.76 1.31 -0.02 3.13 2.04 -0.44 -0.20 117.51 124.10 1gjs h ILE 60 Ca 0.05 -1.01 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 1gjs h ILE 60 Cb 1.01 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1gjs h ILE 60 CO 0.10 0.28 -0.50 -0.07 0.00 0.00 0.00 178.15 177.96 1gjs h LEU 61 N -0.22 0.04 -0.00 1.44 3.38 0.11 -1.20 115.31 118.86 1gjs h LEU 61 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gjs h LEU 61 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1gjs h LEU 61 CO 0.01 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.07 1gjs n ALA 62 N -2.45 2.31 -2.99 1.53 0.00 0.17 -4.12 120.51 114.96 1gjs n ALA 62 Ca -0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 1gjs n ALA 62 Cb 0.52 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 1gjs n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gjs n ALA 63 N -1.51 0.71 -1.74 0.00 0.00 -0.10 -5.02 120.51 112.85 1gjs n ALA 63 Ca 0.07 -2.51 -0.36 0.00 0.00 0.00 0.00 53.44 50.64 1gjs n ALA 63 Cb 0.34 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.77 1gjs n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gjs s LEU 64 N -1.40 3.66 0.00 0.00 1.43 -0.52 -4.71 118.68 117.14 1gjs s LEU 64 Ca 0.33 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1gjs s LEU 64 Cb 0.24 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.86 1gjs s LEU 64 CO -0.14 -1.56 0.18 -2.65 0.23 0.00 0.00 176.35 172.41