#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbg s GLU 2 N 0.00 4.16 -0.41 3.17 0.41 -1.26 -5.05 118.70 119.71 2jbg s GLU 2 Ca 0.00 0.21 -0.18 0.00 -0.41 0.00 0.00 54.97 54.59 2jbg s GLU 2 Cb 0.00 -3.38 0.02 0.00 -1.78 0.00 0.00 34.13 28.99 2jbg s GLU 2 CO 0.00 0.34 0.48 -0.51 -0.49 0.00 0.00 175.26 175.08 2jbg s LEU 3 N 0.13 4.71 0.63 1.80 1.43 -1.26 -5.07 118.68 121.06 2jbg s LEU 3 Ca 0.19 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 2jbg s LEU 3 Cb -0.14 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2jbg s LEU 3 CO 0.07 -0.60 1.04 -0.54 0.23 0.00 0.00 176.35 176.54 2jbg s LYS 4 N 2.30 3.46 0.39 1.70 -0.14 -1.26 -4.99 119.74 121.20 2jbg s LYS 4 Ca 0.15 0.81 0.21 0.00 -1.36 0.00 0.00 55.97 55.78 2jbg s LYS 4 Cb -0.16 -2.06 0.61 0.00 -1.68 0.00 0.00 37.83 34.54 2jbg s LYS 4 CO 0.15 -0.68 1.69 -0.91 -0.76 0.00 0.00 175.35 174.84 2jbg h ASN 5 N -0.35 0.00 -5.22 2.83 2.35 -1.97 -3.47 115.58 109.75 2jbg h ASN 5 Ca -0.44 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.25 2jbg h ASN 5 Cb 1.19 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.46 2jbg h ASN 5 CO 0.61 0.30 -0.14 -0.94 -1.65 0.00 0.00 177.43 175.61 2jbg s SER 6 N -6.28 -0.09 0.34 5.81 1.04 -1.26 -4.78 113.70 108.47 2jbg s SER 6 Ca 0.02 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.66 2jbg s SER 6 Cb 0.09 0.55 0.65 0.00 0.10 0.00 0.00 66.02 67.41 2jbg s SER 6 CO 0.67 -1.06 1.96 0.40 0.98 0.00 0.00 173.24 176.20 2jbg h ILE 7 N 2.32 1.08 0.00 -1.02 1.08 -1.91 -1.34 117.51 117.72 2jbg h ILE 7 Ca -0.28 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2jbg h ILE 7 Cb 1.25 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 2jbg h ILE 7 CO 0.39 0.16 0.00 -1.54 -0.69 0.00 0.00 178.15 176.47 2jbg n SER 8 N -4.46 0.40 0.03 1.72 3.41 -1.23 -1.40 113.62 112.07 2jbg n SER 8 Ca 0.10 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 2jbg n SER 8 Cb 0.16 -0.71 0.22 0.00 -0.26 0.00 0.00 64.21 63.62 2jbg n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jbg n ASP 9 N -1.98 0.57 -4.56 4.04 8.00 -0.50 -3.81 116.55 118.31 2jbg n ASP 9 Ca 0.01 -0.07 -0.34 0.00 0.71 0.00 0.00 54.79 55.09 2jbg n ASP 9 Cb 0.12 0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 41.33 2jbg n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2jbg s TYR 10 N -3.08 3.11 0.77 1.24 2.02 -0.50 -4.87 117.35 116.05 2jbg s TYR 10 Ca 0.09 -0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.53 2jbg s TYR 10 Cb 0.16 -1.99 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 2jbg s TYR 10 CO 0.71 0.07 1.14 0.95 -1.57 0.00 0.00 175.55 176.85 2jbg s THR 11 N 0.27 2.65 0.17 -0.71 -4.23 -1.26 -0.39 115.64 112.14 2jbg s THR 11 Ca -0.01 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 2jbg s THR 11 Cb -0.13 -3.20 0.06 0.00 1.34 0.00 0.00 72.50 70.56 2jbg s THR 11 CO 0.02 -0.27 1.81 -0.33 -0.54 0.00 0.00 174.62 175.31 2jbg h GLU 12 N -0.90 0.56 -0.56 3.99 5.08 -1.93 -1.62 114.58 119.21 2jbg h GLU 12 Ca -0.46 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 2jbg h GLU 12 Cb 1.30 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2jbg h GLU 12 CO 0.65 0.37 0.28 0.00 -1.00 0.00 0.00 179.01 179.31 2jbg h ALA 13 N 1.21 0.72 -0.38 3.43 0.00 -1.95 -1.03 119.26 121.26 2jbg h ALA 13 Ca 0.19 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2jbg h ALA 13 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jbg h ALA 13 CO -0.09 -0.08 0.10 0.93 0.00 0.00 0.00 179.25 180.11 2jbg h GLU 14 N 0.53 0.55 -0.11 0.00 5.08 -1.81 -1.61 114.58 117.20 2jbg h GLU 14 Ca 0.25 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2jbg h GLU 14 Cb 0.18 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jbg h GLU 14 CO -0.18 0.51 -0.39 0.35 -1.00 0.00 0.00 179.01 178.29 2jbg h PHE 15 N 0.54 0.29 -0.37 4.33 3.57 -0.28 -2.32 116.94 122.70 2jbg h PHE 15 Ca 0.13 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 2jbg h PHE 15 Cb 0.20 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2jbg h PHE 15 CO 0.01 0.61 -0.10 0.28 -2.23 0.00 0.00 178.31 176.88 2jbg h VAL 16 N 0.21 1.24 -0.36 1.41 2.07 -0.30 -1.78 116.25 118.74 2jbg h VAL 16 Ca 0.02 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 2jbg h VAL 16 Cb 0.79 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2jbg h VAL 16 CO 0.06 0.36 -0.13 1.56 0.02 0.00 0.00 177.57 179.44 2jbg h GLN 17 N 0.59 0.64 -0.38 1.57 4.20 -0.90 -0.49 115.11 120.34 2jbg h GLN 17 Ca 0.11 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 2jbg h GLN 17 Cb 0.51 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2jbg h GLN 17 CO 0.03 0.76 -0.12 1.25 -0.67 0.00 0.00 178.83 180.07 2jbg h LEU 18 N 0.59 0.67 -0.54 1.46 5.85 -1.00 -1.07 115.31 121.27 2jbg h LEU 18 Ca 0.10 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 2jbg h LEU 18 Cb 0.57 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2jbg h LEU 18 CO 0.04 0.82 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.70 2jbg h LEU 19 N 0.62 1.00 -1.04 2.25 3.38 -0.61 -1.07 115.31 119.84 2jbg h LEU 19 Ca 0.11 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2jbg h LEU 19 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jbg h LEU 19 CO 0.04 1.16 -0.41 0.11 0.09 0.00 0.00 178.44 179.43 2jbg h LYS 20 N 0.85 0.15 -0.41 1.13 1.79 -0.83 0.16 116.57 119.41 2jbg h LYS 20 Ca 0.12 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.38 2jbg h LYS 20 Cb 0.76 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2jbg h LYS 20 CO 0.06 0.53 -0.29 1.49 -1.08 0.00 0.00 179.45 180.16 2jbg h GLU 21 N 0.12 0.89 -0.46 3.15 4.57 -0.87 -0.96 114.58 121.04 2jbg h GLU 21 Ca 0.01 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 57.75 2jbg h GLU 21 Cb 0.77 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 2jbg h GLU 21 CO 0.06 1.06 0.16 0.82 -1.18 0.00 0.00 179.01 179.94 2jbg h ILE 22 N 0.75 1.21 -0.68 2.32 2.04 -0.63 -1.71 117.51 120.82 2jbg h ILE 22 Ca 0.08 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2jbg h ILE 22 Cb 0.86 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 2jbg h ILE 22 CO 0.08 0.25 0.40 -0.33 0.00 0.00 0.00 178.15 178.55 2jbg h GLU 23 N 0.60 0.74 -0.20 2.37 5.08 -0.73 0.10 114.58 122.54 2jbg h GLU 23 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2jbg h GLU 23 Cb 0.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jbg h GLU 23 CO -0.01 0.49 0.13 -0.22 -1.00 0.00 0.00 179.01 178.40 2jbg h LYS 24 N 0.77 0.26 0.00 2.33 3.64 -0.88 -2.15 116.57 120.53 2jbg h LYS 24 Ca 0.29 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2jbg h LYS 24 Cb 0.11 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2jbg h LYS 24 CO -0.14 0.17 -0.19 0.93 -2.27 0.00 0.00 179.45 177.94 2jbg h GLU 25 N 0.26 0.00 -0.02 1.90 4.39 -0.77 -2.68 114.58 117.67 2jbg h GLU 25 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2jbg h GLU 25 Cb -0.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2jbg h GLU 25 CO -0.02 0.19 -0.01 -0.97 -1.16 0.00 0.00 179.01 177.04 2jbg h ASN 26 N 0.00 0.02 -0.63 1.42 -0.00 -0.13 -1.67 115.58 114.59 2jbg h ASN 26 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2jbg h ASN 26 Cb 0.58 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.90 2jbg h ASN 26 CO 0.02 0.03 0.00 1.33 -0.00 0.00 0.00 177.43 178.82 2jbg n VAL 27 N -4.52 1.38 -1.88 2.57 0.24 -1.01 -4.96 118.33 110.15 2jbg n VAL 27 Ca -0.03 -1.12 -0.31 0.00 -2.04 0.00 0.00 64.34 60.84 2jbg n VAL 27 Cb 0.10 0.32 0.01 0.00 -1.47 0.00 0.00 33.84 32.81 2jbg n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jbg s ALA 28 N -1.41 2.97 0.30 2.33 0.00 -0.63 -4.95 121.76 120.38 2jbg s ALA 28 Ca 0.46 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2jbg s ALA 28 Cb 0.27 -3.12 0.70 0.00 0.00 0.00 0.00 23.12 20.97 2jbg s ALA 28 CO 0.27 -0.76 1.79 0.00 0.00 0.00 0.00 175.76 177.06 2jbg h ALA 29 N -0.20 1.65 -1.51 0.00 0.00 -1.93 -3.43 119.26 113.84 2jbg h ALA 29 Ca -0.44 0.06 -0.59 0.00 0.00 0.00 0.00 54.91 53.93 2jbg h ALA 29 Cb 1.20 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 2jbg h ALA 29 CO 0.60 0.01 -0.58 0.95 0.00 0.00 0.00 179.25 180.24 2jbg s THR 30 N -5.87 1.52 -1.45 0.00 -4.23 -1.26 -5.05 115.64 99.31 2jbg s THR 30 Ca -0.11 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.58 2jbg s THR 30 Cb 0.24 -2.74 0.56 0.00 1.34 0.00 0.00 72.50 71.91 2jbg s THR 30 CO 0.80 0.00 1.48 0.47 -0.54 0.00 0.00 174.62 176.83 2jbg n ASP 31 N -0.98 3.84 -0.04 3.99 8.00 -1.26 -4.71 116.55 125.39 2jbg n ASP 31 Ca -0.07 -2.13 -0.10 0.00 0.71 0.00 0.00 54.79 53.20 2jbg n ASP 31 Cb 0.67 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 2jbg n ASP 31 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2jbg h ASP 32 N 3.53 -1.06 0.12 -2.24 3.45 -1.96 -0.04 116.42 118.22 2jbg h ASP 32 Ca 0.00 0.16 -0.24 0.00 0.43 0.00 0.00 57.03 57.38 2jbg h ASP 32 Cb 1.03 0.46 0.03 0.00 -0.56 0.00 0.00 39.33 40.29 2jbg h ASP 32 CO 0.05 -0.35 -1.03 0.58 -1.57 0.00 0.00 179.24 176.93 2jbg h VAL 33 N -0.36 1.37 -0.47 -1.35 2.07 -1.95 -3.33 116.25 112.23 2jbg h VAL 33 Ca 0.12 -2.43 0.09 0.00 0.82 0.00 0.00 66.70 65.31 2jbg h VAL 33 Cb 0.55 2.85 -0.09 0.00 -1.52 0.00 0.00 31.29 33.08 2jbg h VAL 33 CO -0.42 0.72 -0.11 0.25 0.02 0.00 0.00 177.57 178.02 2jbg h LEU 34 N 0.01 -0.43 -1.34 2.57 5.85 -1.80 -2.11 115.31 118.06 2jbg h LEU 34 Ca -0.16 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2jbg h LEU 34 Cb 1.75 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 43.03 2jbg h LEU 34 CO 0.20 -0.15 0.46 0.44 -0.34 0.00 0.00 178.44 179.04 2jbg h ASP 35 N 0.00 0.74 -0.41 1.25 5.19 -1.12 0.16 116.42 122.24 2jbg h ASP 35 Ca 0.23 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.50 2jbg h ASP 35 Cb 0.35 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 2jbg h ASP 35 CO -0.49 0.52 -0.24 0.58 -3.12 0.00 0.00 179.24 176.50 2jbg h VAL 36 N 0.87 1.28 -0.27 -1.35 2.07 -1.52 -0.95 116.25 116.37 2jbg h VAL 36 Ca 0.27 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 2jbg h VAL 36 Cb 0.03 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2jbg h VAL 36 CO -0.07 0.47 -0.19 -0.07 0.02 0.00 0.00 177.57 177.72 2jbg h LEU 37 N 0.71 0.49 -0.66 2.57 3.38 -0.69 -1.71 115.31 119.40 2jbg h LEU 37 Ca 0.09 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2jbg h LEU 37 Cb 0.81 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2jbg h LEU 37 CO 0.07 0.70 -0.37 -0.07 0.09 0.00 0.00 178.44 178.85 2jbg h LEU 38 N 0.45 0.65 -0.67 1.67 3.38 -0.44 -1.01 115.31 119.34 2jbg h LEU 38 Ca 0.07 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2jbg h LEU 38 Cb 0.59 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2jbg h LEU 38 CO 0.04 0.96 0.23 -0.33 0.09 0.00 0.00 178.44 179.43 2jbg h GLU 39 N 0.52 1.02 -0.61 1.13 5.08 -0.76 -0.15 114.58 120.81 2jbg h GLU 39 Ca 0.05 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2jbg h GLU 39 Cb 0.88 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2jbg h GLU 39 CO 0.08 0.88 0.23 1.25 -1.00 0.00 0.00 179.01 180.44 2jbg h HIS 40 N 0.96 0.94 -0.21 4.33 2.76 -1.08 -0.09 115.15 122.75 2jbg h HIS 40 Ca 0.22 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2jbg h HIS 40 Cb 0.27 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2jbg h HIS 40 CO 0.02 0.76 0.11 0.35 -1.30 0.00 0.00 177.93 177.87 2jbg h PHE 41 N 0.85 0.30 -0.44 5.26 3.04 -0.78 -1.78 116.94 123.39 2jbg h PHE 41 Ca 0.20 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.16 2jbg h PHE 41 Cb 0.23 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 2jbg h PHE 41 CO 0.01 0.27 0.26 0.28 -2.02 0.00 0.00 178.31 177.11 2jbg h VAL 42 N 0.23 1.03 0.30 1.41 2.07 -0.79 -2.15 116.25 118.36 2jbg h VAL 42 Ca 0.08 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2jbg h VAL 42 Cb 0.08 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2jbg h VAL 42 CO -0.01 0.09 -0.17 0.50 0.02 0.00 0.00 177.57 178.01 2jbg h LYS 43 N 0.52 -0.42 -0.09 1.57 3.64 -0.81 -2.43 116.57 118.54 2jbg h LYS 43 Ca 0.18 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 2jbg h LYS 43 Cb 0.02 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2jbg h LYS 43 CO -0.09 -0.28 -0.61 -0.84 -2.27 0.00 0.00 179.45 175.36 2jbg h ILE 44 N -0.44 1.37 -0.23 2.00 3.07 -1.31 -3.22 117.51 118.76 2jbg h ILE 44 Ca -0.04 -1.97 -0.16 0.00 1.55 0.00 0.00 64.86 64.24 2jbg h ILE 44 Cb 0.35 1.97 -0.01 0.00 -0.27 0.00 0.00 36.82 38.87 2jbg h ILE 44 CO 0.05 0.59 -0.52 0.71 -1.05 0.00 0.00 178.15 177.92 2jbg h THR 45 N 0.24 1.31 -0.58 0.16 1.35 -1.42 -3.37 112.91 110.61 2jbg h THR 45 Ca -0.01 -1.75 -0.25 0.00 -0.55 0.00 0.00 66.41 63.86 2jbg h THR 45 Cb 1.14 1.69 -0.10 0.00 -1.73 0.00 0.00 68.15 69.15 2jbg h THR 45 CO 0.10 0.55 -0.22 -0.62 -0.25 0.00 0.00 175.52 175.08 2jbg n GLU 46 N -3.98 -1.21 -2.62 4.72 1.02 -0.91 -4.97 120.64 112.69 2jbg n GLU 46 Ca -0.03 0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 57.60 2jbg n GLU 46 Cb 0.60 -5.06 -0.04 0.00 -0.02 0.00 0.00 31.44 26.91 2jbg n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jbg s HIS 47 N -2.26 3.72 0.49 -0.32 2.46 -1.26 -4.94 115.29 113.17 2jbg s HIS 47 Ca 0.00 1.71 0.17 0.00 0.47 0.00 0.00 55.06 57.40 2jbg s HIS 47 Cb 0.00 -3.16 1.20 0.00 -0.13 0.00 0.00 32.58 30.49 2jbg s HIS 47 CO 0.00 -0.20 2.07 -1.00 -2.47 0.00 0.00 174.74 173.14 2jbg h PRO 48 N 5.16 0.14 -0.00 2.88 0.13 -1.96 -1.95 132.00 136.41 2jbg h PRO 48 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jbg h PRO 48 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jbg h PRO 48 CO 0.72 0.09 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.28 2jbg n ASP 49 N -4.48 0.26 0.00 1.44 8.00 -1.26 -4.96 116.55 115.55 2jbg n ASP 49 Ca 0.03 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.03 2jbg n ASP 49 Cb 0.26 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2jbg n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jbg n GLY 50 N 1.24 2.45 0.23 0.44 0.00 -0.74 -1.03 105.19 107.77 2jbg n GLY 50 Ca 0.16 0.33 0.16 0.00 0.00 0.00 0.00 46.02 46.66 2jbg n GLY 50 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jbg h THR 51 N 0.00 0.00 -0.21 2.61 1.35 -1.91 -2.76 112.91 111.99 2jbg h THR 51 Ca 0.00 -0.13 0.03 0.00 -0.55 0.00 0.00 66.41 65.77 2jbg h THR 51 Cb 0.00 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2jbg h THR 51 CO 0.00 0.00 0.14 0.44 -0.25 0.00 0.00 175.52 175.85 2jbg h ASP 52 N 0.00 0.11 -0.56 5.36 3.32 -1.44 0.13 116.42 123.34 2jbg h ASP 52 Ca 0.00 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 2jbg h ASP 52 Cb 0.15 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2jbg h ASP 52 CO 0.00 0.08 0.38 -0.07 -1.72 0.00 0.00 179.24 177.91 2jbg h LEU 53 N 0.13 0.39 0.00 1.55 3.38 -1.67 0.48 115.31 119.56 2jbg h LEU 53 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2jbg h LEU 53 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2jbg h LEU 53 CO -0.01 0.24 -0.51 0.40 0.09 0.00 0.00 178.44 178.65 2jbg h ILE 54 N 0.44 0.59 0.00 1.22 2.04 -1.01 -3.36 117.51 117.44 2jbg h ILE 54 Ca 0.25 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.53 2jbg h ILE 54 Cb 0.43 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2jbg h ILE 54 CO -0.07 0.20 -0.37 -1.22 0.00 0.00 0.00 178.15 176.69 2jbg n TYR 55 N -4.60 0.07 -3.09 1.37 4.01 -0.54 -4.42 117.16 109.96 2jbg n TYR 55 Ca -0.13 0.02 -0.17 0.00 -0.16 0.00 0.00 57.90 57.46 2jbg n TYR 55 Cb 0.36 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2jbg n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2jbg n TYR 56 N -1.57 -0.61 -1.94 -0.72 4.01 0.17 -5.02 117.16 111.47 2jbg n TYR 56 Ca 0.06 -3.39 -0.38 0.00 -0.16 0.00 0.00 57.90 54.03 2jbg n TYR 56 Cb 0.35 0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.43 2jbg n TYR 56 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2jbg s PRO 57 N -1.57 3.24 0.58 -0.72 0.04 -1.16 -4.55 135.00 130.86 2jbg s PRO 57 Ca 0.36 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.26 2jbg s PRO 57 Cb 0.30 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2jbg s PRO 57 CO -0.09 -1.05 1.17 -1.12 0.04 0.00 0.00 177.00 175.95 2jbg s SER 58 N -1.18 5.36 0.54 6.66 0.01 -1.26 -4.91 113.70 118.93 2jbg s SER 58 Ca 0.71 2.29 0.34 0.00 1.31 0.00 0.00 55.95 60.60 2jbg s SER 58 Cb -0.36 -2.59 1.38 0.00 0.21 0.00 0.00 66.02 64.66 2jbg s SER 58 CO 0.42 -1.47 1.98 0.44 0.41 0.00 0.00 173.24 175.02 2jbg h ASP 59 N 0.94 0.00 0.27 2.44 3.32 -2.00 -2.97 116.42 118.42 2jbg h ASP 59 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2jbg h ASP 59 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2jbg h ASP 59 CO 0.56 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.62 2jbg n ASN 60 N -3.05 0.00 -4.09 6.45 6.94 -1.26 -4.83 115.26 115.41 2jbg n ASN 60 Ca 0.01 -0.27 -0.10 0.00 -0.02 0.00 0.00 54.58 54.19 2jbg n ASN 60 Cb 0.30 -0.19 -0.08 0.00 -2.36 0.00 0.00 39.78 37.45 2jbg n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jbg s ARG 61 N -2.37 1.33 0.25 -3.83 1.04 -1.12 -5.14 118.95 109.10 2jbg s ARG 61 Ca 0.26 -1.42 -0.30 0.00 -1.04 0.00 0.00 55.73 53.23 2jbg s ARG 61 Cb 0.15 0.36 -0.09 0.00 -2.04 0.00 0.00 34.95 33.33 2jbg s ARG 61 CO 0.31 -0.49 1.17 -0.51 -0.04 0.00 0.00 175.30 175.74 2jbg s ASP 62 N -3.08 7.13 -1.26 -2.89 1.01 -1.26 -4.77 116.67 111.55 2jbg s ASP 62 Ca 0.30 2.32 -0.17 0.00 0.71 0.00 0.00 52.55 55.71 2jbg s ASP 62 Cb 0.04 -2.62 0.10 0.00 1.01 0.00 0.00 42.92 41.44 2jbg s ASP 62 CO 0.09 -0.29 1.64 -0.62 0.21 0.00 0.00 175.17 176.21 2jbg s ASP 63 N -0.44 6.89 0.24 0.27 3.68 -1.26 -4.10 116.67 121.95 2jbg s ASP 63 Ca 0.48 -2.56 -0.22 0.00 2.13 0.00 0.00 52.55 52.39 2jbg s ASP 63 Cb -0.33 -2.53 0.03 0.00 -1.45 0.00 0.00 42.92 38.64 2jbg s ASP 63 CO 0.41 -1.07 0.69 -0.94 0.13 0.00 0.00 175.17 174.39 2jbg s SER 64 N 3.88 -0.35 0.35 -0.34 1.04 -1.26 -5.00 113.70 112.02 2jbg s SER 64 Ca 0.50 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.55 2jbg s SER 64 Cb 0.02 0.69 0.70 0.00 0.10 0.00 0.00 66.02 67.53 2jbg s SER 64 CO 0.05 -1.24 1.94 -0.65 0.98 0.00 0.00 173.24 174.33 2jbg h PRO 65 N 2.00 0.79 -0.35 4.02 0.11 -1.98 0.04 132.00 136.63 2jbg h PRO 65 Ca -0.23 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 2jbg h PRO 65 Cb 1.27 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2jbg h PRO 65 CO 0.27 0.52 -0.02 0.93 -0.21 0.00 0.00 178.00 179.50 2jbg h GLU 66 N 0.81 0.62 -0.57 1.05 3.07 -1.96 -2.05 114.58 115.55 2jbg h GLU 66 Ca 0.34 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 2jbg h GLU 66 Cb 0.27 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2jbg h GLU 66 CO -0.12 0.75 0.32 0.78 -1.40 0.00 0.00 179.01 179.34 2jbg h GLY 67 N 0.43 0.84 0.94 -3.84 0.00 -1.42 -0.08 103.07 99.95 2jbg h GLY 67 Ca 0.10 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2jbg h GLY 67 CO 0.02 0.36 0.11 -2.22 0.00 0.00 0.00 176.54 174.81 2jbg h ILE 68 N 0.77 1.01 -0.50 2.60 2.04 -0.94 -0.09 117.51 122.41 2jbg h ILE 68 Ca 0.20 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.01 2jbg h ILE 68 Cb 0.03 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2jbg h ILE 68 CO -0.03 0.04 0.28 0.58 0.00 0.00 0.00 178.15 179.02 2jbg h VAL 69 N 0.23 1.02 0.19 1.67 2.07 -1.09 -0.62 116.25 119.73 2jbg h VAL 69 Ca 0.08 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2jbg h VAL 69 Cb 0.00 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2jbg h VAL 69 CO -0.04 0.10 -0.09 0.50 0.02 0.00 0.00 177.57 178.06 2jbg h LYS 70 N 0.56 -0.25 -0.50 1.57 3.64 -0.60 0.11 116.57 121.11 2jbg h LYS 70 Ca 0.21 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 2jbg h LYS 70 Cb 0.06 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2jbg h LYS 70 CO -0.11 -0.15 0.28 1.49 -2.27 0.00 0.00 179.45 178.69 2jbg h GLU 71 N -0.27 0.53 -0.48 1.90 4.81 -0.84 -0.02 114.58 120.22 2jbg h GLU 71 Ca -0.03 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2jbg h GLU 71 Cb 0.21 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2jbg h GLU 71 CO 0.04 0.35 0.31 0.82 -0.73 0.00 0.00 179.01 179.80 2jbg h ILE 72 N 0.55 1.10 -0.56 2.32 2.04 -0.89 -0.98 117.51 121.08 2jbg h ILE 72 Ca 0.21 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2jbg h ILE 72 Cb 0.07 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2jbg h ILE 72 CO -0.12 0.11 0.35 0.50 0.00 0.00 0.00 178.15 178.99 2jbg h LYS 73 N 0.62 0.76 -0.66 2.37 3.64 -0.23 -0.71 116.57 122.36 2jbg h LYS 73 Ca 0.18 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2jbg h LYS 73 Cb -0.04 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 2jbg h LYS 73 CO -0.06 0.54 0.08 0.93 -2.27 0.00 0.00 179.45 178.68 2jbg h GLU 74 N 0.76 1.11 -0.15 1.90 5.08 -0.65 -2.29 114.58 120.34 2jbg h GLU 74 Ca 0.20 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2jbg h GLU 74 Cb -0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2jbg h GLU 74 CO -0.04 1.02 -0.10 2.35 -1.00 0.00 0.00 179.01 181.24 2jbg h TRP 75 N 1.03 0.39 -0.32 4.33 7.01 -0.96 -1.12 115.95 126.31 2jbg h TRP 75 Ca 0.20 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 2jbg h TRP 75 Cb 0.47 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 2jbg h TRP 75 CO 0.03 0.69 0.10 0.00 -2.79 0.00 0.00 178.44 176.47 2jbg h ARG 76 N -0.02 0.45 -0.10 2.65 3.08 -1.11 -1.78 114.38 117.55 2jbg h ARG 76 Ca 0.03 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2jbg h ARG 76 Cb 0.60 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.57 2jbg h ARG 76 CO 0.03 0.40 -0.43 0.00 -1.07 0.00 0.00 179.97 178.90 2jbg h ALA 77 N 1.66 0.19 0.00 0.04 0.00 -1.35 0.28 119.26 120.07 2jbg h ALA 77 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jbg h ALA 77 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jbg h ALA 77 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.56 2jbg h ALA 78 N 0.47 1.00 -0.22 0.00 0.00 -0.83 -1.60 119.26 118.08 2jbg h ALA 78 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jbg h ALA 78 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jbg h ALA 78 CO 0.09 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2jbg n ASN 79 N -2.72 3.41 -2.94 0.00 3.02 -0.70 -4.99 115.26 110.34 2jbg n ASN 79 Ca -0.02 -2.84 -0.21 0.00 -0.03 0.00 0.00 54.58 51.48 2jbg n ASN 79 Cb 0.10 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.83 2jbg n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jbg n GLY 80 N -0.52 -0.51 3.83 7.41 0.00 -0.60 -5.00 105.19 109.81 2jbg n GLY 80 Ca 0.18 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 2jbg n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbg s LYS 81 N -5.60 3.09 0.27 1.61 1.02 0.95 -5.02 119.74 116.06 2jbg s LYS 81 Ca 0.25 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 2jbg s LYS 81 Cb -0.12 -2.83 -0.12 0.00 -0.52 0.00 0.00 37.83 34.24 2jbg s LYS 81 CO 0.30 0.56 1.48 -0.35 -0.92 0.00 0.00 175.35 176.43 2jbg n PRO 82 N 0.22 2.34 -0.54 -1.68 -0.04 -1.26 -4.43 135.00 129.61 2jbg n PRO 82 Ca -0.07 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2jbg n PRO 82 Cb 0.52 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2jbg n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jbg n GLY 83 N 2.03 0.71 3.72 0.55 0.00 -1.26 -4.62 105.19 106.32 2jbg n GLY 83 Ca 0.10 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 2jbg n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jbg s PHE 84 N 0.28 2.08 0.37 1.61 0.08 -1.26 -3.57 117.98 117.58 2jbg s PHE 84 Ca 0.00 1.66 -0.27 0.00 0.12 0.00 0.00 56.93 58.44 2jbg s PHE 84 Cb 0.00 -3.28 -0.09 0.00 -0.57 0.00 0.00 43.02 39.07 2jbg s PHE 84 CO 0.00 -2.38 1.30 0.21 -0.10 0.00 0.00 175.22 174.25 2jbg s LYS 85 N -4.46 4.14 0.00 0.44 2.20 0.48 -4.91 119.74 117.62 2jbg s LYS 85 Ca 0.67 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 2jbg s LYS 85 Cb -0.23 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2jbg s LYS 85 CO 0.52 -0.35 0.00 1.04 -0.36 0.00 0.00 175.35 176.20 2jbg n GLN 86 N 0.41 0.00 0.00 4.03 1.13 -1.26 -4.34 117.38 117.35 2jbg n GLN 86 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2jbg n GLN 86 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.78 2jbg n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03