#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 0.89 -0.63 2.12 2.20 -1.26 -5.03 119.74 118.03 1gjs s LYS 2 Ca 0.00 -0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 54.75 1gjs s LYS 2 Cb 0.00 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 1gjs s LYS 2 CO 0.00 -0.30 1.78 0.00 -0.36 0.00 0.00 175.35 176.46 1gjs n ALA 3 N 0.03 3.51 -3.49 3.13 0.00 -1.26 -4.76 120.51 117.67 1gjs n ALA 3 Ca -0.16 -1.52 -0.23 0.00 0.00 0.00 0.00 53.44 51.52 1gjs n ALA 3 Cb 0.62 -2.91 -0.16 0.00 0.00 0.00 0.00 19.45 17.00 1gjs n ALA 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1gjs s ILE 4 N 4.02 1.00 -1.52 0.00 2.07 -1.26 -5.01 121.20 120.50 1gjs s ILE 4 Ca 0.30 -0.40 0.15 0.00 -1.41 0.00 0.00 60.65 59.29 1gjs s ILE 4 Cb 0.08 -0.93 0.30 0.00 0.13 0.00 0.00 42.46 42.04 1gjs s ILE 4 CO -0.01 0.32 1.21 0.49 -1.91 0.00 0.00 174.94 175.04 1gjs n PHE 5 N 3.85 0.39 -4.41 3.50 3.72 -1.26 -4.97 117.46 118.28 1gjs n PHE 5 Ca -0.23 -0.31 -0.29 0.00 -0.05 0.00 0.00 57.45 56.57 1gjs n PHE 5 Cb 0.52 -0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 38.91 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 -1.10 2.21 0.00 -4.37 -7.23 -1.26 -5.12 120.40 103.52 1gjs s VAL 6 Ca 0.26 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1gjs s VAL 6 Cb 0.15 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1gjs s VAL 6 CO 0.21 0.09 0.00 0.18 -0.31 0.00 0.00 175.10 175.27 1gjs n LEU 7 N 0.97 0.00 -3.60 1.32 4.77 -1.26 -4.67 117.00 114.54 1gjs n LEU 7 Ca -0.18 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.40 1gjs n LEU 7 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 1gjs n LEU 7 CO 0.23 0.00 1.37 -0.46 -1.33 0.00 0.00 177.39 177.20 1gjs n ASN 8 N 0.00 7.22 0.27 -1.43 6.94 -1.26 -4.75 115.26 122.26 1gjs n ASN 8 Ca 0.00 -3.69 0.12 0.00 -0.02 0.00 0.00 54.58 50.98 1gjs n ASN 8 Cb 0.00 -1.14 0.76 0.00 -2.36 0.00 0.00 39.78 37.04 1gjs n ASN 8 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gjs h ALA 9 N 4.13 1.63 -0.28 -2.53 0.00 -2.02 -2.32 119.26 117.86 1gjs h ALA 9 Ca 0.52 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.16 1gjs h ALA 9 Cb 0.33 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1gjs h ALA 9 CO 1.16 0.06 0.21 0.00 0.00 0.00 0.00 179.25 180.68 1gjs n GLN 10 N -4.05 1.61 -0.24 0.00 0.00 -1.26 -4.47 117.38 108.96 1gjs n GLN 10 Ca -0.03 -1.07 -0.05 0.00 0.00 0.00 0.00 57.00 55.85 1gjs n GLN 10 Cb 0.13 -1.49 0.05 0.00 0.00 0.00 0.00 30.24 28.93 1gjs n GLN 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1gjs h HIS 11 N 1.60 0.86 -2.82 2.61 2.76 -1.83 -3.29 115.15 115.04 1gjs h HIS 11 Ca 0.19 0.02 -0.73 0.00 -2.20 0.00 0.00 60.37 57.65 1gjs h HIS 11 Cb 0.97 -0.29 -0.21 0.00 1.55 0.00 0.00 27.41 29.44 1gjs h HIS 11 CO 0.76 0.54 0.70 0.16 -1.30 0.00 0.00 177.93 178.80 1gjs s ASP 12 N -5.82 6.79 0.43 3.26 -4.77 -1.26 -5.02 116.67 110.27 1gjs s ASP 12 Ca -0.13 -2.49 -0.24 0.00 -3.30 0.00 0.00 52.55 46.39 1gjs s ASP 12 Cb 0.14 -2.34 -0.08 0.00 -1.09 0.00 0.00 42.92 39.56 1gjs s ASP 12 CO 0.77 -0.82 1.15 -1.83 0.70 0.00 0.00 175.17 175.14 1gjs s GLU 13 N 1.54 3.93 0.42 2.11 4.04 -1.24 -5.04 118.70 124.46 1gjs s GLU 13 Ca 0.30 1.77 0.08 0.00 0.04 0.00 0.00 54.97 57.16 1gjs s GLU 13 Cb -0.06 -2.53 -0.01 0.00 0.02 0.00 0.00 34.13 31.54 1gjs s GLU 13 CO -0.08 -0.41 0.44 0.00 -1.84 0.00 0.00 175.26 173.37 1gjs s ALA 14 N -1.50 4.21 -0.02 -0.84 0.00 -1.26 -5.10 121.76 117.24 1gjs s ALA 14 Ca 0.60 -1.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.55 1gjs s ALA 14 Cb -0.29 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1gjs s ALA 14 CO 0.35 -0.24 0.53 0.08 0.00 0.00 0.00 175.76 176.48 1gjs s VAL 15 N -2.44 4.97 0.35 0.00 1.01 -1.26 -5.03 120.40 118.01 1gjs s VAL 15 Ca 0.50 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 1gjs s VAL 15 Cb -0.05 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 1gjs s VAL 15 CO 0.29 0.44 1.54 0.47 0.00 0.00 0.00 175.10 177.84 1gjs n ASP 16 N 2.67 3.87 -0.36 3.32 8.00 -1.26 -4.88 116.55 127.91 1gjs n ASP 16 Ca -0.09 1.20 -0.03 0.00 0.71 0.00 0.00 54.79 56.59 1gjs n ASP 16 Cb 0.51 -1.62 0.10 0.00 -0.02 0.00 0.00 41.12 40.09 1gjs n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gjs h ALA 17 N 3.64 1.22 -0.96 2.24 0.00 -2.01 -2.37 119.26 121.03 1gjs h ALA 17 Ca -0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1gjs h ALA 17 Cb 1.23 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1gjs h ALA 17 CO 0.70 0.67 0.59 -0.91 0.00 0.00 0.00 179.25 180.29 1gjs h ASN 18 N 1.32 1.14 -0.98 0.00 -0.26 -2.00 -2.19 115.58 112.61 1gjs h ASN 18 Ca 0.34 -0.06 0.01 0.00 -0.56 0.00 0.00 56.30 56.03 1gjs h ASN 18 Cb -0.07 -0.29 -0.05 0.00 -1.06 0.00 0.00 38.32 36.86 1gjs h ASN 18 CO -0.07 0.87 0.65 0.28 -1.06 0.00 0.00 177.43 178.11 1gjs h SER 19 N 1.32 1.13 -0.17 5.81 0.02 -1.80 -0.37 113.55 119.49 1gjs h SER 19 Ca 0.34 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1gjs h SER 19 Cb -0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 1gjs h SER 19 CO -0.07 0.82 0.04 -0.07 -1.14 0.00 0.00 176.83 176.42 1gjs h LEU 20 N 1.33 0.25 -0.04 5.07 3.38 -1.26 -0.56 115.31 123.48 1gjs h LEU 20 Ca 0.36 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gjs h LEU 20 Cb -0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1gjs h LEU 20 CO -0.08 0.40 0.02 0.00 0.09 0.00 0.00 178.44 178.88 1gjs h ALA 21 N 0.85 0.05 -0.43 1.53 0.00 -1.02 0.15 119.26 120.38 1gjs h ALA 21 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gjs h ALA 21 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1gjs h ALA 21 CO -0.00 -0.44 0.29 1.49 0.00 0.00 0.00 179.25 180.59 1gjs h GLU 22 N 0.03 0.57 -0.63 0.00 4.81 -1.01 0.94 114.58 119.29 1gjs h GLU 22 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1gjs h GLU 22 Cb 0.02 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1gjs h GLU 22 CO -0.00 0.38 0.42 0.00 -0.73 0.00 0.00 179.01 179.07 1gjs h ALA 23 N 1.16 0.80 -0.38 2.92 0.00 -0.87 0.54 119.26 123.44 1gjs h ALA 23 Ca 0.16 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1gjs h ALA 23 Cb -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1gjs h ALA 23 CO -0.03 0.24 -0.41 0.87 0.00 0.00 0.00 179.25 179.92 1gjs h LYS 24 N 0.86 0.94 -0.24 0.00 1.57 -0.38 -2.06 116.57 117.25 1gjs h LYS 24 Ca 0.23 -0.51 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1gjs h LYS 24 Cb -0.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1gjs h LYS 24 CO -0.05 1.16 -0.03 0.28 -0.57 0.00 0.00 179.45 180.24 1gjs h VAL 25 N 0.76 1.27 -0.41 0.50 2.07 0.15 0.19 116.25 120.78 1gjs h VAL 25 Ca 0.06 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1gjs h VAL 25 Cb 1.01 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1gjs h VAL 25 CO 0.10 0.31 0.27 -0.07 0.02 0.00 0.00 177.57 178.20 1gjs h LEU 26 N 0.21 0.47 -0.96 2.57 3.38 0.08 -2.12 115.31 118.94 1gjs h LEU 26 Ca 0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1gjs h LEU 26 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1gjs h LEU 26 CO 0.02 0.34 -0.49 0.00 0.09 0.00 0.00 178.44 178.40 1gjs h ALA 27 N 1.15 1.14 -0.08 1.53 0.00 -1.29 -3.07 119.26 118.64 1gjs h ALA 27 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1gjs h ALA 27 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1gjs h ALA 27 CO -0.03 0.63 0.05 -0.97 0.00 0.00 0.00 179.25 178.93 1gjs h ASN 28 N 0.05 0.09 0.59 0.00 -0.73 0.06 -2.67 115.58 112.98 1gjs h ASN 28 Ca -0.00 -0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.08 1gjs h ASN 28 Cb 0.89 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.44 1gjs h ASN 28 CO 0.07 0.07 -0.41 0.08 -0.37 0.00 0.00 177.43 176.86 1gjs h ARG 29 N 0.11 0.00 -0.04 6.67 0.11 -1.49 -3.05 114.38 116.68 1gjs h ARG 29 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1gjs h ARG 29 Cb -0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 1gjs h ARG 29 CO -0.01 0.41 0.03 0.93 0.10 0.00 0.00 179.97 181.44 1gjs h GLU 30 N 0.00 0.06 -0.84 0.08 5.08 -1.38 0.10 114.58 117.68 1gjs h GLU 30 Ca -0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1gjs h GLU 30 Cb 0.82 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1gjs h GLU 30 CO 0.05 0.04 0.38 -0.07 -1.00 0.00 0.00 179.01 178.42 1gjs h LEU 31 N 0.06 1.11 -0.92 1.33 3.38 -1.52 -2.02 115.31 116.72 1gjs h LEU 31 Ca 0.02 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1gjs h LEU 31 Cb -0.00 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1gjs h LEU 31 CO -0.00 0.95 0.61 -0.78 0.09 0.00 0.00 178.44 179.30 1gjs h ASP 32 N 1.20 1.06 -0.11 -0.43 1.82 -1.33 0.26 116.42 118.90 1gjs h ASP 32 Ca 0.28 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1gjs h ASP 32 Cb 0.15 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1gjs h ASP 32 CO -0.03 0.77 0.07 0.50 -1.61 0.00 0.00 179.24 178.94 1gjs h LYS 33 N 1.25 0.14 0.00 0.28 3.64 -0.09 -2.34 116.57 119.45 1gjs h LYS 33 Ca 0.34 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1gjs h LYS 33 Cb -0.14 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1gjs h LYS 33 CO -0.07 0.09 -0.50 1.88 -2.27 0.00 0.00 179.45 178.58 1gjs h TYR 34 N 0.14 0.00 0.00 1.91 0.05 -1.05 -3.47 116.97 114.56 1gjs h TYR 34 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1gjs h TYR 34 Cb -0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1gjs h TYR 34 CO -0.07 0.50 0.00 0.41 -1.05 0.00 0.00 178.16 177.95 1gjs n GLY 35 N -0.08 0.91 3.61 3.88 0.00 0.84 -5.08 105.19 109.28 1gjs n GLY 35 Ca -0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 2.21 0.58 1.61 1.01 -0.83 -4.90 120.40 118.08 1gjs s VAL 36 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 1gjs s VAL 36 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1gjs s VAL 36 CO 0.00 -0.09 1.15 -1.20 0.00 0.00 0.00 175.10 174.96 1gjs n SER 37 N -4.42 1.62 0.05 3.32 7.64 -1.26 -4.80 113.62 115.78 1gjs n SER 37 Ca 0.07 0.87 0.09 0.00 1.01 0.00 0.00 58.87 60.92 1gjs n SER 37 Cb 0.54 -1.48 0.39 0.00 -1.01 0.00 0.00 64.21 62.65 1gjs n SER 37 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1gjs n ASP 38 N -1.00 0.28 -0.20 6.43 5.75 -1.26 -2.92 116.55 123.63 1gjs n ASP 38 Ca 0.13 0.57 -0.06 0.00 -0.01 0.00 0.00 54.79 55.42 1gjs n ASP 38 Cb 0.46 -0.63 0.03 0.00 -1.03 0.00 0.00 41.12 39.96 1gjs n ASP 38 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1gjs h TYR 39 N 0.00 0.73 -1.01 2.11 5.03 -2.00 -2.33 116.97 119.50 1gjs h TYR 39 Ca 0.00 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.34 1gjs h TYR 39 Cb 0.30 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 38.28 1gjs h TYR 39 CO 0.00 0.46 0.67 1.88 -1.32 0.00 0.00 178.16 179.85 1gjs h TYR 40 N 0.78 1.27 -0.70 -3.82 0.05 -1.90 -0.40 116.97 112.24 1gjs h TYR 40 Ca 0.21 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.98 1gjs h TYR 40 Cb -0.08 -0.43 -0.03 0.00 1.01 0.00 0.00 36.73 37.19 1gjs h TYR 40 CO -0.03 0.80 0.28 0.87 -1.05 0.00 0.00 178.16 179.03 1gjs h LYS 41 N 1.37 1.05 -0.72 4.88 1.57 -1.64 -0.99 116.57 122.09 1gjs h LYS 41 Ca 0.37 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1gjs h LYS 41 Cb -0.16 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 31.95 1gjs h LYS 41 CO -0.08 0.87 0.46 -0.97 -0.57 0.00 0.00 179.45 179.16 1gjs h ASN 42 N 1.00 0.85 -0.92 0.86 -0.73 -0.79 -1.65 115.58 114.20 1gjs h ASN 42 Ca 0.23 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 1gjs h ASN 42 Cb 0.21 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.54 1gjs h ASN 42 CO -0.02 0.64 0.55 0.25 -0.37 0.00 0.00 177.43 178.48 1gjs h LEU 43 N 0.99 1.11 -1.01 0.34 5.85 -0.34 -1.54 115.31 120.70 1gjs h LEU 43 Ca 0.26 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1gjs h LEU 43 Cb -0.08 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.62 1gjs h LEU 43 CO -0.05 0.86 0.67 0.40 -0.34 0.00 0.00 178.44 179.97 1gjs h ILE 44 N 1.27 1.26 -0.59 4.05 1.08 -0.36 -0.50 117.51 123.72 1gjs h ILE 44 Ca 0.33 -0.47 0.17 0.00 -0.39 0.00 0.00 64.86 64.50 1gjs h ILE 44 Cb -0.04 -0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 33.46 1gjs h ILE 44 CO -0.06 0.25 0.45 -1.13 -0.69 0.00 0.00 178.15 176.97 1gjs h ASN 45 N 1.36 0.00 -0.52 1.72 -1.24 -0.40 0.27 115.58 116.76 1gjs h ASN 45 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1gjs h ASN 45 Cb -0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.90 1gjs h ASN 45 CO -0.08 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 172.86 1gjs n ASN 46 N -4.21 5.44 -4.75 1.15 5.15 -0.21 -4.99 115.26 112.85 1gjs n ASN 46 Ca 0.11 -2.95 -0.42 0.00 -0.60 0.00 0.00 54.58 50.72 1gjs n ASN 46 Cb 0.69 -0.66 -0.02 0.00 -0.53 0.00 0.00 39.78 39.26 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 -2.79 3.79 0.15 5.20 0.00 0.93 -4.89 121.76 124.16 1gjs s ALA 47 Ca 0.53 1.60 -0.10 0.00 0.00 0.00 0.00 51.96 53.98 1gjs s ALA 47 Cb 0.41 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1gjs s ALA 47 CO 0.15 -1.00 1.50 0.87 0.00 0.00 0.00 175.76 177.28 1gjs h LYS 48 N 5.15 0.96 -3.76 0.00 1.57 -1.92 -3.47 116.57 115.11 1gjs h LYS 48 Ca -0.46 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 57.76 1gjs h LYS 48 Cb 1.22 -0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.40 1gjs h LYS 48 CO 0.82 1.14 -0.27 0.95 -0.57 0.00 0.00 179.45 181.52 1gjs s THR 49 N -4.50 0.08 0.46 -0.16 -4.23 -1.26 -5.02 115.64 101.01 1gjs s THR 49 Ca -0.11 -1.21 0.13 0.00 -1.18 0.00 0.00 61.69 59.32 1gjs s THR 49 Cb 0.12 -1.65 0.29 0.00 1.34 0.00 0.00 72.50 72.60 1gjs s THR 49 CO 0.88 -0.36 2.07 -0.37 -0.54 0.00 0.00 174.62 176.30 1gjs h VAL 50 N 2.53 1.00 -0.77 2.29 -1.51 -1.95 -1.05 116.25 116.79 1gjs h VAL 50 Ca -0.32 -0.10 0.01 0.00 -1.23 0.00 0.00 66.70 65.06 1gjs h VAL 50 Cb 1.23 0.69 -0.04 0.00 -2.13 0.00 0.00 31.29 31.04 1gjs h VAL 50 CO 0.49 0.05 0.51 -0.08 -1.23 0.00 0.00 177.57 177.31 1gjs h GLU 51 N 0.28 1.01 -0.06 5.19 4.81 -2.00 -1.48 114.58 122.33 1gjs h GLU 51 Ca 0.13 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1gjs h GLU 51 Cb 0.16 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1gjs h GLU 51 CO -0.03 0.67 -0.48 0.78 -0.73 0.00 0.00 179.01 179.23 1gjs h GLY 52 N 1.04 0.15 0.98 1.92 0.00 -1.62 -2.20 103.07 103.35 1gjs h GLY 52 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1gjs h GLY 52 CO -0.06 0.14 0.00 -2.08 0.00 0.00 0.00 176.54 174.54 1gjs h VAL 53 N 0.11 1.01 -0.43 4.60 2.07 -0.68 -0.02 116.25 122.92 1gjs h VAL 53 Ca 0.00 -0.04 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 1gjs h VAL 53 Cb 0.89 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1gjs h VAL 53 CO 0.07 0.01 -0.31 0.11 0.02 0.00 0.00 177.57 177.47 1gjs h LYS 54 N -0.01 0.97 0.00 1.57 1.57 -1.38 -2.99 116.57 116.30 1gjs h LYS 54 Ca 0.00 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 1gjs h LYS 54 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1gjs h LYS 54 CO -0.00 1.14 -0.24 0.00 -0.57 0.00 0.00 179.45 179.78 1gjs h ALA 55 N 0.82 1.19 0.09 3.86 0.00 -1.23 -3.12 119.26 120.87 1gjs h ALA 55 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gjs h ALA 55 Cb 0.90 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1gjs h ALA 55 CO 0.08 0.30 -0.05 1.25 0.00 0.00 0.00 179.25 180.84 1gjs h LEU 56 N 0.00 -0.11 -1.48 0.00 5.85 -0.85 -2.92 115.31 115.80 1gjs h LEU 56 Ca -0.00 -0.38 0.32 0.00 0.84 0.00 0.00 57.88 58.66 1gjs h LEU 56 Cb 0.60 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 1gjs h LEU 56 CO 0.03 0.35 0.75 0.40 -0.34 0.00 0.00 178.44 179.63 1gjs h ILE 57 N -0.60 0.40 -0.87 4.05 1.08 -1.50 1.67 117.51 121.75 1gjs h ILE 57 Ca -0.01 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1gjs h ILE 57 Cb 0.48 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 1gjs h ILE 57 CO 0.02 0.05 0.44 0.44 -0.69 0.00 0.00 178.15 178.41 1gjs h ASP 58 N 0.25 1.13 -0.35 1.72 3.32 -1.53 0.43 116.42 121.39 1gjs h ASP 58 Ca 0.65 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.40 1gjs h ASP 58 Cb 1.91 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 41.17 1gjs h ASP 58 CO -0.28 0.93 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.38 1gjs h GLU 59 N 1.24 0.92 -0.07 3.56 4.39 0.24 -1.42 114.58 123.44 1gjs h GLU 59 Ca 0.30 -0.53 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 1gjs h GLU 59 Cb 0.08 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1gjs h GLU 59 CO -0.04 1.18 -0.06 0.82 -1.16 0.00 0.00 179.01 179.74 1gjs h ILE 60 N 0.73 1.36 -1.00 3.13 1.08 -0.27 -0.38 117.51 122.17 1gjs h ILE 60 Ca 0.04 -1.19 0.01 0.00 -0.39 0.00 0.00 64.86 63.33 1gjs h ILE 60 Cb 1.06 2.01 -0.05 0.00 -3.07 0.00 0.00 36.82 36.77 1gjs h ILE 60 CO 0.11 0.33 0.65 -0.07 -0.69 0.00 0.00 178.15 178.47 1gjs h LEU 61 N -0.26 1.16 -0.00 1.44 3.38 -0.20 0.40 115.31 121.23 1gjs h LEU 61 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gjs h LEU 61 Cb 0.56 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1gjs h LEU 61 CO 0.02 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.39 1gjs n ALA 62 N -2.38 2.09 0.19 1.53 0.00 -0.54 -3.60 120.51 117.81 1gjs n ALA 62 Ca 0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1gjs n ALA 62 Cb 0.02 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 1gjs n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gjs h ALA 63 N 2.82 -0.52 -2.58 0.00 0.00 0.88 -3.43 119.26 116.42 1gjs h ALA 63 Ca 0.00 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.22 1gjs h ALA 63 Cb 0.41 0.20 0.07 0.00 0.00 0.00 0.00 17.79 18.48 1gjs h ALA 63 CO 0.00 -0.61 0.43 -0.48 0.00 0.00 0.00 179.25 178.59 1gjs s LEU 64 N -9.46 3.75 0.00 0.00 2.34 -1.22 -5.11 118.68 109.00 1gjs s LEU 64 Ca -0.14 2.16 0.03 0.00 0.06 0.00 0.00 54.13 56.25 1gjs s LEU 64 Cb 0.02 -4.58 0.20 0.00 -0.56 0.00 0.00 46.19 41.27 1gjs s LEU 64 CO 0.49 -1.19 0.68 -0.81 -1.06 0.00 0.00 176.35 174.46