#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 2.06 -1.49 2.12 2.85 -1.26 -4.96 118.16 117.49 1gjs n LYS 2 Ca 0.00 -1.62 -0.38 0.00 -1.05 0.00 0.00 58.31 55.26 1gjs n LYS 2 Cb 0.00 -1.42 0.04 0.00 -0.65 0.00 0.00 35.03 33.00 1gjs n LYS 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1gjs n ALA 3 N 0.83 -0.96 -2.03 0.58 0.00 -1.26 -4.84 120.51 112.83 1gjs n ALA 3 Ca 0.17 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1gjs n ALA 3 Cb 0.43 -1.87 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1gjs n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gjs s ILE 4 N -1.69 3.10 0.51 0.00 1.01 -1.26 -4.97 121.20 117.89 1gjs s ILE 4 Ca 0.70 0.86 -0.21 0.00 0.00 0.00 0.00 60.65 62.00 1gjs s ILE 4 Cb -0.44 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1gjs s ILE 4 CO 0.53 0.11 1.15 -0.36 0.00 0.00 0.00 174.94 176.37 1gjs s PHE 5 N 0.46 2.75 -0.09 3.97 0.40 -1.26 -5.04 117.98 119.17 1gjs s PHE 5 Ca 0.60 1.54 0.04 0.00 -0.60 0.00 0.00 56.93 58.51 1gjs s PHE 5 Cb -0.38 -3.34 0.00 0.00 0.51 0.00 0.00 43.02 39.81 1gjs s PHE 5 CO 0.36 -1.57 -0.22 0.08 0.70 0.00 0.00 175.22 174.57 1gjs s VAL 6 N -1.66 1.88 0.13 -0.44 1.01 -1.26 -5.09 120.40 114.97 1gjs s VAL 6 Ca 0.69 -0.91 -0.33 0.00 0.00 0.00 0.00 61.98 61.42 1gjs s VAL 6 Cb -0.26 -1.64 -0.13 0.00 0.00 0.00 0.00 36.38 34.35 1gjs s VAL 6 CO 0.31 0.52 1.68 0.18 0.00 0.00 0.00 175.10 177.79 1gjs n LEU 7 N 3.58 3.40 -0.12 3.92 4.32 -1.26 -4.86 117.00 125.99 1gjs n LEU 7 Ca -0.20 1.05 -0.13 0.00 -0.02 0.00 0.00 56.01 56.71 1gjs n LEU 7 Cb 0.53 -1.46 -0.02 0.00 -1.62 0.00 0.00 43.42 40.85 1gjs n LEU 7 CO 0.27 -0.13 0.53 -1.13 -1.22 0.00 0.00 177.39 175.72 1gjs h ASN 8 N 6.88 1.01 -1.51 -1.43 -1.24 -2.05 -3.45 115.58 113.79 1gjs h ASN 8 Ca -0.45 -0.47 -0.42 0.00 0.71 0.00 0.00 56.30 55.66 1gjs h ASN 8 Cb 1.24 -0.28 0.02 0.00 0.73 0.00 0.00 38.32 40.03 1gjs h ASN 8 CO 0.91 1.28 -0.24 0.00 -1.29 0.00 0.00 177.43 178.10 1gjs s ALA 9 N -4.36 4.48 0.55 1.57 0.00 -1.26 -5.08 121.76 117.66 1gjs s ALA 9 Ca -0.11 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.00 1gjs s ALA 9 Cb 0.11 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1gjs s ALA 9 CO 0.88 -0.34 1.13 -0.65 0.00 0.00 0.00 175.76 176.78 1gjs s GLN 10 N -4.39 3.31 0.25 0.00 -0.21 -1.26 -4.92 119.66 112.43 1gjs s GLN 10 Ca 0.55 1.59 -0.06 0.00 0.02 0.00 0.00 55.36 57.47 1gjs s GLN 10 Cb -0.10 -2.00 0.26 0.00 1.00 0.00 0.00 33.01 32.17 1gjs s GLN 10 CO 0.34 -0.88 1.93 1.12 -2.12 0.00 0.00 175.29 175.67 1gjs h HIS 11 N 1.10 1.26 -3.16 0.91 2.07 -1.98 -3.35 115.15 112.00 1gjs h HIS 11 Ca -0.50 0.03 -0.75 0.00 -2.85 0.00 0.00 60.37 56.30 1gjs h HIS 11 Cb 1.26 -0.43 -0.25 0.00 2.57 0.00 0.00 27.41 30.56 1gjs h HIS 11 CO 0.52 0.80 -0.27 -0.51 -3.07 0.00 0.00 177.93 175.39 1gjs s ASP 12 N -6.12 6.09 0.24 3.10 1.01 -1.26 -4.92 116.67 114.81 1gjs s ASP 12 Ca -0.13 -1.74 -0.07 0.00 0.71 0.00 0.00 52.55 51.32 1gjs s ASP 12 Cb 0.18 -2.17 0.24 0.00 1.01 0.00 0.00 42.92 42.18 1gjs s ASP 12 CO 0.82 -0.80 1.91 -0.08 0.21 0.00 0.00 175.17 177.23 1gjs h GLU 13 N 8.79 1.27 -6.04 8.23 4.81 -1.99 -3.41 114.58 126.24 1gjs h GLU 13 Ca -0.28 -0.09 -0.60 0.00 -0.13 0.00 0.00 59.36 58.25 1gjs h GLU 13 Cb 1.10 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1gjs h GLU 13 CO 0.98 0.86 -0.33 0.00 -0.73 0.00 0.00 179.01 179.79 1gjs s ALA 14 N -6.06 3.81 0.08 2.92 0.00 -1.26 -5.00 121.76 116.24 1gjs s ALA 14 Ca -0.13 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 1gjs s ALA 14 Cb 0.17 -2.13 -0.15 0.00 0.00 0.00 0.00 23.12 21.01 1gjs s ALA 14 CO 0.82 0.64 1.70 0.28 0.00 0.00 0.00 175.76 179.19 1gjs h VAL 15 N 2.65 1.04 -3.19 0.00 2.07 -2.04 -3.45 116.25 113.33 1gjs h VAL 15 Ca -0.48 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 1gjs h VAL 15 Cb 1.18 1.11 -0.20 0.00 -1.52 0.00 0.00 31.29 31.86 1gjs h VAL 15 CO 0.69 0.03 -0.35 -1.81 0.02 0.00 0.00 177.57 176.15 1gjs s ASP 16 N -5.24 -0.12 0.00 0.57 1.01 -1.26 -5.04 116.67 106.58 1gjs s ASP 16 Ca -0.13 0.01 0.10 0.00 0.71 0.00 0.00 52.55 53.23 1gjs s ASP 16 Cb 0.06 0.29 -0.04 0.00 1.01 0.00 0.00 42.92 44.24 1gjs s ASP 16 CO 0.66 -0.41 0.55 0.00 0.21 0.00 0.00 175.17 176.18 1gjs n ALA 17 N 1.39 2.97 0.00 5.23 0.00 -1.26 -4.57 120.51 124.26 1gjs n ALA 17 Ca -0.22 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1gjs n ALA 17 Cb 0.56 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1gjs n ALA 17 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gjs n ASN 18 N -0.59 0.68 -0.34 0.00 5.03 -1.26 -4.73 115.26 114.05 1gjs n ASN 18 Ca 0.03 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.45 1gjs n ASN 18 Cb 0.19 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.04 1gjs n ASN 18 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1gjs h SER 19 N 0.00 1.05 0.00 6.41 0.02 -1.97 0.86 113.55 119.92 1gjs h SER 19 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1gjs h SER 19 Cb 0.27 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1gjs h SER 19 CO 0.00 0.76 -0.00 0.25 -1.14 0.00 0.00 176.83 176.70 1gjs h LEU 20 N 1.24 -0.01 -0.25 5.07 5.85 -1.88 0.25 115.31 125.58 1gjs h LEU 20 Ca 0.33 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.90 1gjs h LEU 20 Cb -0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1gjs h LEU 20 CO -0.07 -0.01 -0.47 0.00 -0.34 0.00 0.00 178.44 177.55 1gjs h ALA 21 N 0.99 0.39 -0.99 1.25 0.00 -1.77 -3.11 119.26 116.02 1gjs h ALA 21 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1gjs h ALA 21 Cb 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1gjs h ALA 21 CO -0.00 0.55 0.64 1.49 0.00 0.00 0.00 179.25 181.92 1gjs h GLU 22 N 0.49 1.31 -0.47 0.00 4.57 0.94 0.85 114.58 122.28 1gjs h GLU 22 Ca 0.01 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1gjs h GLU 22 Cb 1.08 -0.29 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1gjs h GLU 22 CO 0.11 0.88 0.31 0.00 -1.18 0.00 0.00 179.01 179.13 1gjs h ALA 23 N 1.35 0.60 -0.38 2.92 0.00 -0.46 0.27 119.26 123.56 1gjs h ALA 23 Ca 0.36 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 1gjs h ALA 23 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1gjs h ALA 23 CO -0.08 0.04 -0.39 0.87 0.00 0.00 0.00 179.25 179.69 1gjs h LYS 24 N 0.63 0.94 -0.10 0.00 1.57 -1.38 -1.72 116.57 116.52 1gjs h LYS 24 Ca 0.18 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1gjs h LYS 24 Cb -0.06 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1gjs h LYS 24 CO -0.05 1.16 0.05 0.28 -0.57 0.00 0.00 179.45 180.32 1gjs h VAL 25 N 0.77 1.11 -0.45 0.50 2.07 -0.35 0.70 116.25 120.59 1gjs h VAL 25 Ca 0.06 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1gjs h VAL 25 Cb 0.99 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1gjs h VAL 25 CO 0.10 0.09 0.30 -0.07 0.02 0.00 0.00 177.57 178.01 1gjs h LEU 26 N 0.05 0.51 -0.93 2.57 3.38 -0.45 -2.08 115.31 118.36 1gjs h LEU 26 Ca 0.03 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1gjs h LEU 26 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1gjs h LEU 26 CO -0.00 0.37 -0.49 0.00 0.09 0.00 0.00 178.44 178.41 1gjs h ALA 27 N 1.17 1.10 -0.13 1.53 0.00 -1.07 -3.09 119.26 118.76 1gjs h ALA 27 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1gjs h ALA 27 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1gjs h ALA 27 CO -0.04 0.63 0.09 -0.97 0.00 0.00 0.00 179.25 178.96 1gjs h ASN 28 N 0.09 0.15 0.60 0.00 -0.73 0.11 -2.64 115.58 113.16 1gjs h ASN 28 Ca 0.00 -0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 1gjs h ASN 28 Cb 0.89 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.43 1gjs h ASN 28 CO 0.07 0.11 -0.39 0.08 -0.37 0.00 0.00 177.43 176.92 1gjs h ARG 29 N 0.18 0.00 -0.69 6.67 0.11 -1.49 -3.07 114.38 116.09 1gjs h ARG 29 Ca 0.05 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.14 1gjs h ARG 29 Cb -0.02 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.03 1gjs h ARG 29 CO -0.01 0.39 0.46 0.93 0.10 0.00 0.00 179.97 181.84 1gjs h GLU 30 N 0.00 0.91 -0.09 0.08 4.39 -1.39 0.61 114.58 119.10 1gjs h GLU 30 Ca -0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1gjs h GLU 30 Cb 0.80 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1gjs h GLU 30 CO 0.05 0.60 0.05 -0.07 -1.16 0.00 0.00 179.01 178.49 1gjs h LEU 31 N 0.94 0.11 -1.00 1.33 3.38 -1.44 0.98 115.31 119.61 1gjs h LEU 31 Ca 0.25 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1gjs h LEU 31 Cb -0.11 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1gjs h LEU 31 CO -0.06 0.12 0.66 -0.78 0.09 0.00 0.00 178.44 178.47 1gjs h ASP 32 N 0.09 1.15 -0.04 -0.43 1.82 -1.42 0.57 116.42 118.14 1gjs h ASP 32 Ca 0.03 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1gjs h ASP 32 Cb 0.03 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 39.75 1gjs h ASP 32 CO -0.01 0.83 0.03 0.50 -1.61 0.00 0.00 179.24 178.98 1gjs h LYS 33 N 1.35 0.05 -0.00 0.28 3.64 0.10 -2.16 116.57 119.84 1gjs h LYS 33 Ca 0.37 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.64 1gjs h LYS 33 Cb -0.15 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1gjs h LYS 33 CO -0.08 0.04 -0.50 1.88 -2.27 0.00 0.00 179.45 178.52 1gjs h TYR 34 N 0.06 0.01 0.00 1.91 0.05 -0.25 -3.47 116.97 115.28 1gjs h TYR 34 Ca 0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1gjs h TYR 34 Cb -0.00 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1gjs h TYR 34 CO -0.08 0.50 0.00 0.41 -1.05 0.00 0.00 178.16 177.94 1gjs n GLY 35 N -0.10 1.44 3.74 3.88 0.00 0.19 -5.08 105.19 109.24 1gjs n GLY 35 Ca -0.02 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 2.87 0.91 1.61 1.01 -0.50 -4.97 120.40 119.34 1gjs s VAL 36 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 1gjs s VAL 36 Cb 0.00 -2.78 0.14 0.00 0.00 0.00 0.00 36.38 33.75 1gjs s VAL 36 CO 0.00 -0.37 1.16 -0.94 0.00 0.00 0.00 175.10 174.94 1gjs s SER 37 N -3.43 2.91 0.00 3.32 1.04 -1.26 -4.75 113.70 111.53 1gjs s SER 37 Ca 0.63 2.23 0.25 0.00 0.48 0.00 0.00 55.95 59.53 1gjs s SER 37 Cb -0.18 -2.57 1.28 0.00 0.10 0.00 0.00 66.02 64.66 1gjs s SER 37 CO 0.57 -3.11 1.84 -0.90 0.98 0.00 0.00 173.24 172.61 1gjs n ASP 38 N -4.17 0.00 -0.20 7.02 5.68 -1.26 -3.38 116.55 120.24 1gjs n ASP 38 Ca 0.12 -0.14 -0.09 0.00 -0.50 0.00 0.00 54.79 54.18 1gjs n ASP 38 Cb 0.52 -0.26 0.02 0.00 -1.14 0.00 0.00 41.12 40.26 1gjs n ASP 38 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1gjs h TYR 39 N 0.00 1.05 -0.48 2.11 5.03 -2.02 -3.11 116.97 119.56 1gjs h TYR 39 Ca 0.00 -0.17 -0.10 0.00 2.58 0.00 0.00 58.73 61.05 1gjs h TYR 39 Cb 0.21 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 1gjs h TYR 39 CO 0.00 0.93 -0.10 1.88 -1.32 0.00 0.00 178.16 179.56 1gjs h TYR 40 N 0.87 0.95 -0.26 -3.82 0.05 -1.93 -2.81 116.97 110.02 1gjs h TYR 40 Ca 0.17 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1gjs h TYR 40 Cb 0.49 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1gjs h TYR 40 CO 0.04 0.91 0.16 1.57 -1.05 0.00 0.00 178.16 179.79 1gjs h LYS 41 N 0.78 0.34 -0.38 4.88 5.09 -1.73 -1.03 116.57 124.52 1gjs h LYS 41 Ca 0.13 -0.02 -0.16 0.00 0.09 0.00 0.00 60.65 60.68 1gjs h LYS 41 Cb 0.60 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 32.85 1gjs h LYS 41 CO 0.04 0.23 -0.40 -0.91 -2.09 0.00 0.00 179.45 176.32 1gjs h ASN 42 N 0.35 1.01 -1.00 7.07 -0.26 -1.51 -2.86 115.58 118.38 1gjs h ASN 42 Ca 0.09 -0.47 0.01 0.00 -0.56 0.00 0.00 56.30 55.37 1gjs h ASN 42 Cb -0.02 -0.28 -0.05 0.00 -1.06 0.00 0.00 38.32 36.90 1gjs h ASN 42 CO -0.02 1.28 0.65 0.25 -1.06 0.00 0.00 177.43 178.53 1gjs h LEU 43 N 0.76 1.15 -0.94 1.61 5.85 -1.07 -1.46 115.31 121.21 1gjs h LEU 43 Ca 0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1gjs h LEU 43 Cb 1.00 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1gjs h LEU 43 CO 0.10 0.84 0.57 0.40 -0.34 0.00 0.00 178.44 180.01 1gjs h ILE 44 N 1.36 1.26 0.00 4.05 1.08 -1.21 0.44 117.51 124.48 1gjs h ILE 44 Ca 0.36 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1gjs h ILE 44 Cb -0.15 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.53 1gjs h ILE 44 CO -0.08 0.27 0.00 0.78 -0.69 0.00 0.00 178.15 178.43 1gjs h ASN 45 N 1.30 0.00 0.55 1.72 2.35 -1.07 -1.37 115.58 119.07 1gjs h ASN 45 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1gjs h ASN 45 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1gjs h ASN 45 CO -0.06 0.00 -0.33 -3.20 -1.65 0.00 0.00 177.43 172.19 1gjs n ASN 46 N -2.94 0.46 -4.70 5.81 4.05 0.11 -4.88 115.26 113.17 1gjs n ASN 46 Ca -0.00 -0.21 -0.42 0.00 0.45 0.00 0.00 54.58 54.40 1gjs n ASN 46 Cb 0.23 0.05 -0.03 0.00 1.23 0.00 0.00 39.78 41.26 1gjs n ASN 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1gjs s ALA 47 N -2.88 3.84 -0.29 5.20 0.00 -0.52 -4.87 121.76 122.24 1gjs s ALA 47 Ca 0.15 1.52 0.23 0.00 0.00 0.00 0.00 51.96 53.86 1gjs s ALA 47 Cb 0.18 -3.74 0.06 0.00 0.00 0.00 0.00 23.12 19.62 1gjs s ALA 47 CO 0.62 -1.12 1.13 -0.22 0.00 0.00 0.00 175.76 176.17 1gjs h LYS 48 N 7.93 0.00 -4.06 0.00 1.63 -1.89 -3.47 116.57 116.70 1gjs h LYS 48 Ca -0.45 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.16 1gjs h LYS 48 Cb 1.21 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.63 1gjs h LYS 48 CO 0.95 0.00 -0.71 -0.08 -3.45 0.00 0.00 179.45 176.17 1gjs s THR 49 N -3.33 0.17 0.02 1.00 -1.32 -1.26 -5.04 115.64 105.88 1gjs s THR 49 Ca 0.01 -0.89 0.22 0.00 -1.21 0.00 0.00 61.69 59.82 1gjs s THR 49 Cb 0.09 -0.30 0.20 0.00 -1.51 0.00 0.00 72.50 70.98 1gjs s THR 49 CO 0.77 -0.45 1.72 1.62 -2.21 0.00 0.00 174.62 176.07 1gjs h VAL 50 N 4.65 0.58 -1.01 5.08 3.04 -1.91 -3.08 116.25 123.61 1gjs h VAL 50 Ca -0.32 -1.37 0.04 0.00 -1.01 0.00 0.00 66.70 64.04 1gjs h VAL 50 Cb 1.21 1.94 -0.06 0.00 -2.01 0.00 0.00 31.29 32.37 1gjs h VAL 50 CO 0.41 0.27 0.66 -0.33 -1.01 0.00 0.00 177.57 177.57 1gjs h GLU 51 N 0.00 1.23 0.00 4.17 5.08 -2.01 -0.38 114.58 122.67 1gjs h GLU 51 Ca -0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1gjs h GLU 51 Cb 0.92 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1gjs h GLU 51 CO 0.04 0.81 -0.64 0.78 -1.00 0.00 0.00 179.01 179.00 1gjs h GLY 52 N 1.27 0.00 0.95 -3.84 0.00 -1.97 -3.09 103.07 96.39 1gjs h GLY 52 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1gjs h GLY 52 CO -0.13 0.00 -0.00 -2.08 0.00 0.00 0.00 176.54 174.33 1gjs h VAL 53 N 0.00 1.03 -0.34 4.60 2.07 -1.01 0.32 116.25 122.92 1gjs h VAL 53 Ca -0.01 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 1gjs h VAL 53 Cb 1.27 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1gjs h VAL 53 CO 0.08 0.03 -0.26 0.07 0.02 0.00 0.00 177.57 177.52 1gjs h LYS 54 N -0.06 0.68 -0.42 1.57 2.10 -1.54 -2.55 116.57 116.35 1gjs h LYS 54 Ca -0.00 -0.28 -0.15 0.00 -2.00 0.00 0.00 60.65 58.22 1gjs h LYS 54 Cb 0.05 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1gjs h LYS 54 CO 0.00 0.87 -0.31 0.00 -2.00 0.00 0.00 179.45 178.01 1gjs h ALA 55 N 1.13 0.65 0.04 0.07 0.00 -1.42 -1.02 119.26 118.71 1gjs h ALA 55 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1gjs h ALA 55 Cb 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1gjs h ALA 55 CO 0.06 0.68 -0.02 1.25 0.00 0.00 0.00 179.25 181.22 1gjs h LEU 56 N 0.79 -0.04 -1.08 0.00 5.85 -0.20 -1.43 115.31 119.21 1gjs h LEU 56 Ca 0.08 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1gjs h LEU 56 Cb 0.89 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1gjs h LEU 56 CO 0.08 0.02 0.24 0.40 -0.34 0.00 0.00 178.44 178.84 1gjs h ILE 57 N -0.10 1.22 -1.01 4.05 1.08 -1.43 -1.17 117.51 120.16 1gjs h ILE 57 Ca -0.01 -0.69 0.01 0.00 -0.39 0.00 0.00 64.86 63.79 1gjs h ILE 57 Cb 0.08 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 34.27 1gjs h ILE 57 CO 0.01 0.27 0.66 0.44 -0.69 0.00 0.00 178.15 178.85 1gjs h ASP 58 N 0.89 1.16 -0.35 1.72 3.32 -0.63 0.74 116.42 123.27 1gjs h ASP 58 Ca 0.21 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 1gjs h ASP 58 Cb 0.18 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1gjs h ASP 58 CO -0.02 0.84 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.56 1gjs h GLU 59 N 1.37 0.92 -0.24 3.56 5.08 -0.65 -0.66 114.58 123.96 1gjs h GLU 59 Ca 0.37 -0.52 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1gjs h GLU 59 Cb -0.15 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1gjs h GLU 59 CO -0.08 1.17 -0.20 0.82 -1.00 0.00 0.00 179.01 179.73 1gjs h ILE 60 N 0.74 1.31 -0.04 3.13 2.04 -0.35 -3.06 117.51 121.28 1gjs h ILE 60 Ca 0.04 -1.34 -0.11 0.00 1.00 0.00 0.00 64.86 64.45 1gjs h ILE 60 Cb 1.05 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1gjs h ILE 60 CO 0.11 0.42 -0.49 -0.07 0.00 0.00 0.00 178.15 178.11 1gjs h LEU 61 N 0.26 0.10 -1.21 1.44 3.38 0.46 -0.54 115.31 119.19 1gjs h LEU 61 Ca 0.04 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gjs h LEU 61 Cb 0.74 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1gjs h LEU 61 CO 0.05 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1gjs n ALA 62 N -2.46 2.56 0.00 1.53 0.00 -0.26 -3.62 120.51 118.27 1gjs n ALA 62 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1gjs n ALA 62 Cb 0.52 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.07 0.37 -1.53 0.00 0.00 -0.95 -5.01 120.51 113.46 1gjs n ALA 63 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.94 1gjs n ALA 63 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.29 2.42 0.00 0.00 4.77 -0.25 -5.11 117.00 118.54 1gjs n LEU 64 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1gjs n LEU 64 Cb 0.00 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1gjs n LEU 64 CO 0.00 -0.58 0.17 -2.65 -1.33 0.00 0.00 177.39 173.00