#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 4.59 -0.37 3.17 0.41 -1.26 -5.03 118.70 120.22 2jbg s GLU 2 Ca 0.00 1.40 -0.14 0.00 -0.41 0.00 0.00 54.97 55.82 2jbg s GLU 2 Cb 0.00 -3.43 -0.00 0.00 -1.78 0.00 0.00 34.13 28.91 2jbg s GLU 2 CO 0.00 0.04 0.27 -0.51 -0.49 0.00 0.00 175.26 174.57 2jbg s LEU 3 N 0.67 4.73 0.42 1.80 1.43 -1.26 -5.08 118.68 121.39 2jbg s LEU 3 Ca 0.49 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 2jbg s LEU 3 Cb -0.22 -2.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.76 2jbg s LEU 3 CO 0.28 -0.32 0.88 -0.54 0.23 0.00 0.00 176.35 176.88 2jbg s LYS 4 N 1.72 4.02 0.00 1.70 -0.14 -1.26 -4.98 119.74 120.80 2jbg s LYS 4 Ca 0.06 0.85 0.17 0.00 -1.36 0.00 0.00 55.97 55.68 2jbg s LYS 4 Cb -0.18 -2.27 0.68 0.00 -1.68 0.00 0.00 37.83 34.39 2jbg s LYS 4 CO 0.10 -0.05 1.48 0.27 -0.76 0.00 0.00 175.35 176.39 2jbg n ASN 5 N -0.95 1.20 -3.73 2.83 2.04 -1.26 -4.88 115.26 110.51 2jbg n ASN 5 Ca 0.05 -1.73 -0.14 0.00 -0.44 0.00 0.00 54.58 52.33 2jbg n ASN 5 Cb 0.54 -0.10 -0.09 0.00 -2.53 0.00 0.00 39.78 37.60 2jbg n ASN 5 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 2jbg s SER 6 N -1.41 -0.27 0.37 0.53 0.01 -1.26 -4.80 113.70 106.86 2jbg s SER 6 Ca 0.27 0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.83 2jbg s SER 6 Cb 0.14 0.40 0.73 0.00 0.21 0.00 0.00 66.02 67.51 2jbg s SER 6 CO 0.21 -0.43 2.00 0.40 0.41 0.00 0.00 173.24 175.84 2jbg h ILE 7 N 3.85 1.09 0.00 1.44 1.08 -1.90 -1.19 117.51 121.88 2jbg h ILE 7 Ca -0.29 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2jbg h ILE 7 Cb 1.17 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2jbg h ILE 7 CO 0.38 0.14 0.00 -1.54 -0.69 0.00 0.00 178.15 176.44 2jbg n SER 8 N -4.46 0.19 0.08 1.72 3.41 -1.24 -1.17 113.62 112.15 2jbg n SER 8 Ca 0.07 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2jbg n SER 8 Cb 0.12 -0.60 0.16 0.00 -0.26 0.00 0.00 64.21 63.63 2jbg n SER 8 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jbg h ASP 9 N 0.00 0.00 -2.90 4.04 3.32 -1.52 -3.29 116.42 116.07 2jbg h ASP 9 Ca 0.00 -0.15 -0.65 0.00 0.02 0.00 0.00 57.03 56.25 2jbg h ASP 9 Cb 0.16 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 2jbg h ASP 9 CO 0.00 0.08 -0.50 -0.31 -1.72 0.00 0.00 179.24 176.78 2jbg s TYR 10 N -3.20 3.49 0.60 4.55 2.02 -0.32 -4.83 117.35 119.66 2jbg s TYR 10 Ca 0.05 0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 57.13 2jbg s TYR 10 Cb 0.12 -1.99 0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2jbg s TYR 10 CO 0.72 0.57 0.89 0.95 -1.57 0.00 0.00 175.55 177.11 2jbg s THR 11 N -0.59 3.18 0.25 -0.71 -4.23 -1.26 0.50 115.64 112.77 2jbg s THR 11 Ca 0.12 -0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.36 2jbg s THR 11 Cb -0.12 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.69 2jbg s THR 11 CO 0.02 -0.26 1.89 -0.33 -0.54 0.00 0.00 174.62 175.40 2jbg h GLU 12 N -0.19 1.14 -0.84 3.99 5.08 -1.93 -1.13 114.58 120.70 2jbg h GLU 12 Ca -0.45 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 2jbg h GLU 12 Cb 1.28 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2jbg h GLU 12 CO 0.59 0.75 0.41 0.00 -1.00 0.00 0.00 179.01 179.76 2jbg h ALA 13 N 1.39 1.08 -0.30 3.43 0.00 -1.96 -2.06 119.26 120.84 2jbg h ALA 13 Ca 0.38 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2jbg h ALA 13 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2jbg h ALA 13 CO -0.13 0.63 -0.28 0.93 0.00 0.00 0.00 179.25 180.40 2jbg h GLU 14 N 1.18 0.62 -0.36 0.00 5.08 -1.73 -2.66 114.58 116.71 2jbg h GLU 14 Ca 0.29 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2jbg h GLU 14 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2jbg h GLU 14 CO -0.04 0.84 -0.15 0.35 -1.00 0.00 0.00 179.01 179.01 2jbg h PHE 15 N 0.53 0.71 -0.67 4.33 3.57 -0.85 -2.29 116.94 122.26 2jbg h PHE 15 Ca 0.07 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 2jbg h PHE 15 Cb 0.76 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2jbg h PHE 15 CO 0.03 0.76 0.24 0.28 -2.23 0.00 0.00 178.31 177.39 2jbg h VAL 16 N 0.58 1.24 -0.80 1.41 2.07 -1.17 -0.76 116.25 118.82 2jbg h VAL 16 Ca 0.10 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2jbg h VAL 16 Cb 0.59 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2jbg h VAL 16 CO 0.04 0.31 0.43 1.56 0.02 0.00 0.00 177.57 179.93 2jbg h GLN 17 N 0.98 1.12 -0.53 1.57 4.20 -1.09 0.23 115.11 121.60 2jbg h GLN 17 Ca 0.22 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 2jbg h GLN 17 Cb 0.23 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2jbg h GLN 17 CO -0.02 0.83 0.06 1.25 -0.67 0.00 0.00 178.83 180.28 2jbg h LEU 18 N 1.13 0.86 -1.42 1.46 5.85 -0.85 -0.12 115.31 122.22 2jbg h LEU 18 Ca 0.28 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2jbg h LEU 18 Cb 0.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2jbg h LEU 18 CO -0.04 0.92 0.19 -0.07 -0.34 0.00 0.00 178.44 179.10 2jbg h LEU 19 N 0.77 0.52 -0.60 2.25 3.38 -0.33 0.20 115.31 121.50 2jbg h LEU 19 Ca 0.16 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2jbg h LEU 19 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jbg h LEU 19 CO 0.02 0.46 -0.68 0.50 0.09 0.00 0.00 178.44 178.83 2jbg h LYS 20 N 0.59 0.11 -0.33 1.13 1.63 -0.51 -0.51 116.57 118.68 2jbg h LYS 20 Ca 0.15 -0.09 -0.16 0.00 -0.85 0.00 0.00 60.65 59.70 2jbg h LYS 20 Cb 0.08 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2jbg h LYS 20 CO -0.02 0.74 -0.42 1.49 -3.45 0.00 0.00 179.45 177.79 2jbg h GLU 21 N 0.08 0.84 -0.70 1.90 4.57 -0.07 -1.72 114.58 119.48 2jbg h GLU 21 Ca -0.01 -0.46 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 2jbg h GLU 21 Cb 1.20 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.79 2jbg h GLU 21 CO 0.10 1.10 0.28 0.82 -1.18 0.00 0.00 179.01 180.12 2jbg h ILE 22 N 0.68 1.25 -0.72 2.32 2.04 -0.68 -2.36 117.51 120.03 2jbg h ILE 22 Ca 0.05 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 2jbg h ILE 22 Cb 1.00 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2jbg h ILE 22 CO 0.10 0.31 0.21 -0.33 0.00 0.00 0.00 178.15 178.44 2jbg h GLU 23 N 1.00 1.14 -0.39 2.37 5.08 -0.88 -0.92 114.58 121.97 2jbg h GLU 23 Ca 0.23 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jbg h GLU 23 Cb 0.21 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2jbg h GLU 23 CO -0.02 0.98 0.25 -0.22 -1.00 0.00 0.00 179.01 179.00 2jbg h LYS 24 N 1.08 0.49 0.00 2.33 3.64 -1.05 -2.27 116.57 120.79 2jbg h LYS 24 Ca 0.23 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2jbg h LYS 24 Cb 0.33 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2jbg h LYS 24 CO -0.00 0.33 -0.28 0.93 -2.27 0.00 0.00 179.45 178.15 2jbg h GLU 25 N 0.51 0.00 0.00 1.90 4.39 -1.29 -2.59 114.58 117.50 2jbg h GLU 25 Ca 0.15 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2jbg h GLU 25 Cb -0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2jbg h GLU 25 CO -0.05 0.28 -0.00 -0.97 -1.16 0.00 0.00 179.01 177.11 2jbg h ASN 26 N 0.00 0.00 -0.55 1.42 -0.00 -0.57 -1.14 115.58 114.74 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 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.16 2jbg h ASN 26 CO 0.04 0.00 0.00 1.33 -0.00 0.00 0.00 177.43 178.80 2jbg n VAL 27 N -4.43 1.12 -2.04 2.57 0.24 -0.98 -4.98 118.33 109.83 2jbg n VAL 27 Ca -0.03 -1.05 -0.32 0.00 -2.04 0.00 0.00 64.34 60.91 2jbg n VAL 27 Cb 0.09 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.13 2.98 0.37 2.33 0.00 -0.43 -4.95 121.76 120.92 2jbg s ALA 28 Ca 0.38 0.10 0.13 0.00 0.00 0.00 0.00 51.96 52.58 2jbg s ALA 28 Cb 0.21 -3.13 0.95 0.00 0.00 0.00 0.00 23.12 21.15 2jbg s ALA 28 CO 0.25 -0.62 1.81 0.00 0.00 0.00 0.00 175.76 177.19 2jbg h ALA 29 N 0.16 2.01 -1.29 0.00 0.00 -1.94 -3.43 119.26 114.78 2jbg h ALA 29 Ca -0.45 0.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.90 2jbg h ALA 29 Cb 1.20 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 2jbg h ALA 29 CO 0.60 -0.34 -0.56 0.95 0.00 0.00 0.00 179.25 179.90 2jbg s THR 30 N -5.60 1.32 -1.29 0.00 -4.23 -1.26 -5.05 115.64 99.53 2jbg s THR 30 Ca -0.09 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.57 2jbg s THR 30 Cb 0.24 -2.57 0.45 0.00 1.34 0.00 0.00 72.50 71.97 2jbg s THR 30 CO 0.79 0.00 1.38 0.47 -0.54 0.00 0.00 174.62 176.72 2jbg n ASP 31 N -1.07 3.41 -0.08 3.99 8.00 -1.26 -4.73 116.55 124.81 2jbg n ASP 31 Ca -0.09 -2.05 -0.07 0.00 0.71 0.00 0.00 54.79 53.28 2jbg n ASP 31 Cb 0.67 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 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 2.93 -0.71 0.11 -2.24 3.32 -1.97 0.13 116.42 117.99 2jbg h ASP 32 Ca 0.00 0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 2jbg h ASP 32 Cb 0.88 0.36 0.02 0.00 0.22 0.00 0.00 39.33 40.80 2jbg h ASP 32 CO 0.02 -0.25 -0.67 0.58 -1.72 0.00 0.00 179.24 177.20 2jbg h VAL 33 N -0.19 1.55 -0.65 -1.35 2.07 -1.95 -3.33 116.25 112.41 2jbg h VAL 33 Ca 0.16 -2.47 0.13 0.00 0.82 0.00 0.00 66.70 65.34 2jbg h VAL 33 Cb 0.44 3.19 -0.12 0.00 -1.52 0.00 0.00 31.29 33.27 2jbg h VAL 33 CO -0.42 0.69 -0.10 0.25 0.02 0.00 0.00 177.57 178.01 2jbg h LEU 34 N -0.45 -0.48 -1.74 2.57 5.85 -1.79 -1.50 115.31 117.77 2jbg h LEU 34 Ca -0.12 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2jbg h LEU 34 Cb 1.52 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 2jbg h LEU 34 CO 0.13 -0.18 0.12 0.44 -0.34 0.00 0.00 178.44 178.60 2jbg h ASP 35 N 0.04 0.25 -0.28 1.25 3.32 -0.86 -0.59 116.42 119.54 2jbg h ASP 35 Ca 0.33 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.22 2jbg h ASP 35 Cb 0.52 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2jbg h ASP 35 CO -0.63 0.20 -0.40 0.58 -1.72 0.00 0.00 179.24 177.28 2jbg h VAL 36 N 0.29 1.30 -0.11 -1.35 2.07 -1.39 -1.88 116.25 115.18 2jbg h VAL 36 Ca 0.08 -1.58 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 2jbg h VAL 36 Cb 0.01 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2jbg h VAL 36 CO -0.01 0.51 -0.28 -0.07 0.02 0.00 0.00 177.57 177.74 2jbg h LEU 37 N 0.52 0.19 -0.20 2.57 3.38 -0.94 -1.61 115.31 119.21 2jbg h LEU 37 Ca 0.03 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2jbg h LEU 37 Cb 0.99 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2jbg h LEU 37 CO 0.09 0.48 -0.53 -0.07 0.09 0.00 0.00 178.44 178.50 2jbg h LEU 38 N 0.18 0.82 -0.69 1.67 3.38 -1.01 -0.40 115.31 119.25 2jbg h LEU 38 Ca 0.03 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.45 2jbg h LEU 38 Cb 0.59 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2jbg h LEU 38 CO 0.04 1.25 0.44 -0.33 0.09 0.00 0.00 178.44 179.93 2jbg h GLU 39 N 0.43 0.83 -0.28 1.13 5.08 -1.08 0.11 114.58 120.81 2jbg h GLU 39 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2jbg h GLU 39 Cb 1.15 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2jbg h GLU 39 CO 0.12 0.55 0.11 1.25 -1.00 0.00 0.00 179.01 180.04 2jbg h HIS 40 N 0.85 0.42 -0.60 4.33 2.76 -1.17 -0.33 115.15 121.41 2jbg h HIS 40 Ca 0.28 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.49 2jbg h HIS 40 Cb 0.01 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.79 2jbg h HIS 40 CO -0.04 0.42 0.28 0.35 -1.30 0.00 0.00 177.93 177.64 2jbg h PHE 41 N 0.30 0.51 -0.61 5.26 3.04 -0.40 -1.63 116.94 123.40 2jbg h PHE 41 Ca 0.09 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 2jbg h PHE 41 Cb 0.17 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.52 2jbg h PHE 41 CO -0.01 0.20 0.22 0.28 -2.02 0.00 0.00 178.31 176.98 2jbg h VAL 42 N 0.52 1.24 -0.03 1.41 2.07 -0.45 -2.16 116.25 118.84 2jbg h VAL 42 Ca 0.28 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2jbg h VAL 42 Cb 0.26 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2jbg h VAL 42 CO -0.23 0.30 0.01 0.50 0.02 0.00 0.00 177.57 178.18 2jbg h LYS 43 N 0.87 0.05 -0.10 1.57 3.64 -0.46 -2.49 116.57 119.66 2jbg h LYS 43 Ca 0.20 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.37 2jbg h LYS 43 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2jbg h LYS 43 CO -0.01 0.21 -0.77 -0.84 -2.27 0.00 0.00 179.45 175.76 2jbg h ILE 44 N -0.12 1.34 -0.23 2.00 3.07 -1.33 -3.29 117.51 118.95 2jbg h ILE 44 Ca 0.01 -2.10 -0.15 0.00 1.55 0.00 0.00 64.86 64.17 2jbg h ILE 44 Cb 0.18 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 2jbg h ILE 44 CO -0.00 0.65 -0.48 0.71 -1.05 0.00 0.00 178.15 177.97 2jbg h THR 45 N 0.37 1.31 -0.36 0.16 1.35 -1.45 -3.37 112.91 110.92 2jbg h THR 45 Ca -0.05 -1.69 -0.15 0.00 -0.55 0.00 0.00 66.41 63.97 2jbg h THR 45 Cb 1.38 1.65 -0.06 0.00 -1.73 0.00 0.00 68.15 69.38 2jbg h THR 45 CO 0.14 0.53 -0.14 -0.62 -0.25 0.00 0.00 175.52 175.19 2jbg n GLU 46 N -3.99 -1.22 -2.57 4.72 1.02 -0.94 -4.98 120.64 112.68 2jbg n GLU 46 Ca -0.03 0.69 -0.42 0.00 -0.02 0.00 0.00 57.16 57.39 2jbg n GLU 46 Cb 0.57 -4.79 -0.03 0.00 -0.02 0.00 0.00 31.44 27.16 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 -1.93 3.60 0.55 -0.32 2.46 -1.26 -4.93 115.29 113.45 2jbg s HIS 47 Ca 0.00 1.57 0.26 0.00 0.47 0.00 0.00 55.06 57.35 2jbg s HIS 47 Cb 0.00 -3.24 1.45 0.00 -0.13 0.00 0.00 32.58 30.65 2jbg s HIS 47 CO 0.00 -0.53 2.01 -1.00 -2.47 0.00 0.00 174.74 172.75 2jbg h PRO 48 N 6.13 0.00 0.00 2.88 0.13 -1.96 -0.94 132.00 138.24 2jbg h PRO 48 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2jbg h PRO 48 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jbg h PRO 48 CO 0.76 0.00 -0.20 -0.25 -0.23 0.00 0.00 178.00 178.08 2jbg n ASP 49 N -4.20 0.26 0.00 1.44 8.00 -1.26 -4.97 116.55 115.82 2jbg n ASP 49 Ca 0.08 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.81 2jbg n ASP 49 Cb 0.54 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 1.48 2.93 0.29 0.44 0.00 -0.36 -1.48 105.19 108.49 2jbg n GLY 50 Ca 0.06 0.29 0.19 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.56 2.61 1.35 -1.91 -2.78 112.91 111.62 2jbg h THR 51 Ca 0.00 -0.16 0.16 0.00 -0.55 0.00 0.00 66.41 65.86 2jbg h THR 51 Cb 0.00 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.48 2jbg h THR 51 CO 0.00 0.00 0.40 0.44 -0.25 0.00 0.00 175.52 176.11 2jbg h ASP 52 N 0.00 0.03 0.04 5.36 3.32 -1.62 0.96 116.42 124.51 2jbg h ASP 52 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jbg h ASP 52 Cb 0.16 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2jbg h ASP 52 CO 0.00 0.01 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.44 2jbg h LEU 53 N 0.03 0.00 0.01 1.55 3.38 -1.70 0.76 115.31 119.33 2jbg h LEU 53 Ca 0.27 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.92 2jbg h LEU 53 Cb 1.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2jbg h LEU 53 CO -0.01 0.02 -1.71 -0.38 0.09 0.00 0.00 178.44 176.45 2jbg n ILE 54 N -4.10 1.55 0.42 1.22 5.41 0.25 -4.36 119.36 119.75 2jbg n ILE 54 Ca -0.03 -0.18 0.11 0.00 1.00 0.00 0.00 62.75 63.65 2jbg n ILE 54 Cb 0.11 -1.96 0.04 0.00 -0.71 0.00 0.00 39.64 37.12 2jbg n ILE 54 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2jbg n TYR 55 N -4.29 0.49 -3.18 1.39 4.01 -0.72 -4.51 117.16 110.36 2jbg n TYR 55 Ca -0.39 0.14 -0.20 0.00 -0.16 0.00 0.00 57.90 57.30 2jbg n TYR 55 Cb 0.77 -0.62 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.19 0.35 -2.00 -0.72 4.01 0.26 -5.03 117.16 111.83 2jbg n TYR 56 Ca 0.01 -3.78 -0.37 0.00 -0.16 0.00 0.00 57.90 53.60 2jbg n TYR 56 Cb 0.47 -0.41 0.03 0.00 -0.31 0.00 0.00 39.34 39.12 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 -2.25 3.21 0.58 -0.72 0.04 -1.16 -4.59 135.00 130.11 2jbg s PRO 57 Ca 0.40 1.94 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 2jbg s PRO 57 Cb 0.31 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2jbg s PRO 57 CO -0.09 -1.04 1.13 -1.12 0.04 0.00 0.00 177.00 175.92 2jbg s SER 58 N -1.35 5.52 0.37 6.66 0.01 -1.26 -4.91 113.70 118.74 2jbg s SER 58 Ca 0.72 2.15 0.28 0.00 1.31 0.00 0.00 55.95 60.41 2jbg s SER 58 Cb -0.33 -2.57 1.10 0.00 0.21 0.00 0.00 66.02 64.43 2jbg s SER 58 CO 0.38 -1.35 1.82 0.44 0.41 0.00 0.00 173.24 174.93 2jbg h ASP 59 N 0.87 0.00 0.00 2.44 3.32 -2.00 -2.99 116.42 118.06 2jbg h ASP 59 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jbg h ASP 59 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 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 -2.59 0.00 -4.15 6.45 0.23 -1.26 -4.82 115.26 109.12 2jbg n ASN 60 Ca 0.02 -1.06 -0.11 0.00 -0.53 0.00 0.00 54.58 52.90 2jbg n ASN 60 Cb 0.28 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.89 2jbg n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jbg s ARG 61 N -2.00 1.14 0.15 -3.83 1.70 -1.13 -5.14 118.95 109.84 2jbg s ARG 61 Ca 0.36 -1.50 -0.30 0.00 -0.47 0.00 0.00 55.73 53.82 2jbg s ARG 61 Cb 0.17 0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 34.76 2jbg s ARG 61 CO 0.28 -0.37 1.02 -0.51 -1.08 0.00 0.00 175.30 174.63 2jbg s ASP 62 N -3.10 7.42 -1.18 -2.89 1.01 -1.26 -4.80 116.67 111.87 2jbg s ASP 62 Ca 0.31 1.93 -0.19 0.00 0.71 0.00 0.00 52.55 55.31 2jbg s ASP 62 Cb 0.06 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.47 2jbg s ASP 62 CO 0.08 -0.11 1.58 -0.62 0.21 0.00 0.00 175.17 176.31 2jbg s ASP 63 N -0.17 6.74 0.22 0.27 2.15 -1.26 -4.19 116.67 120.42 2jbg s ASP 63 Ca 0.47 -2.15 -0.23 0.00 0.43 0.00 0.00 52.55 51.07 2jbg s ASP 63 Cb -0.26 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.85 2jbg s ASP 63 CO 0.32 -1.23 0.84 -0.94 -0.17 0.00 0.00 175.17 173.99 2jbg s SER 64 N 4.30 -0.22 0.26 -0.34 1.04 -1.26 -4.99 113.70 112.49 2jbg s SER 64 Ca 0.49 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 2jbg s SER 64 Cb 0.01 0.61 0.31 0.00 0.10 0.00 0.00 66.02 67.05 2jbg s SER 64 CO 0.00 -1.13 1.88 -0.65 0.98 0.00 0.00 173.24 174.33 2jbg h PRO 65 N 2.00 1.14 -0.62 4.02 0.11 -1.98 0.56 132.00 137.23 2jbg h PRO 65 Ca -0.21 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 2jbg h PRO 65 Cb 1.24 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2jbg h PRO 65 CO 0.24 0.84 0.17 0.93 -0.21 0.00 0.00 178.00 179.97 2jbg h GLU 66 N 1.15 0.95 -0.37 1.05 3.07 -1.96 -1.02 114.58 117.45 2jbg h GLU 66 Ca 0.29 -0.20 -0.14 0.00 -0.50 0.00 0.00 59.36 58.81 2jbg h GLU 66 Cb 0.03 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2jbg h GLU 66 CO -0.05 0.84 -0.32 0.78 -1.40 0.00 0.00 179.01 178.86 2jbg h GLY 67 N 1.03 0.95 0.93 -3.84 0.00 -1.51 -1.15 103.07 99.47 2jbg h GLY 67 Ca 0.20 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 2jbg h GLY 67 CO -0.00 0.85 0.09 -2.22 0.00 0.00 0.00 176.54 175.26 2jbg h ILE 68 N 0.67 1.12 -0.77 2.60 2.04 -0.62 -0.82 117.51 121.73 2jbg h ILE 68 Ca 0.07 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2jbg h ILE 68 Cb 0.90 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 2jbg h ILE 68 CO 0.08 0.11 0.50 0.58 0.00 0.00 0.00 178.15 179.42 2jbg h VAL 69 N 0.18 1.21 -0.07 1.67 2.07 -1.15 -1.34 116.25 118.81 2jbg h VAL 69 Ca 0.06 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2jbg h VAL 69 Cb 0.10 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2jbg h VAL 69 CO -0.01 0.20 0.04 0.50 0.02 0.00 0.00 177.57 178.32 2jbg h LYS 70 N 1.05 0.10 -0.82 1.57 3.64 -0.93 0.22 116.57 121.40 2jbg h LYS 70 Ca 0.28 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2jbg h LYS 70 Cb -0.10 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2jbg h LYS 70 CO -0.06 0.16 0.50 1.49 -2.27 0.00 0.00 179.45 179.27 2jbg h GLU 71 N 0.01 1.11 -0.39 1.90 4.81 -0.95 -1.52 114.58 119.55 2jbg h GLU 71 Ca 0.02 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2jbg h GLU 71 Cb 0.09 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2jbg h GLU 71 CO -0.00 0.78 0.13 0.82 -0.73 0.00 0.00 179.01 180.00 2jbg h ILE 72 N 1.13 1.21 -0.67 2.32 2.04 -1.01 -1.29 117.51 121.23 2jbg h ILE 72 Ca 0.30 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.51 2jbg h ILE 72 Cb -0.05 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2jbg h ILE 72 CO -0.06 0.24 0.40 0.50 0.00 0.00 0.00 178.15 179.23 2jbg h LYS 73 N 0.49 0.73 -0.21 2.37 3.64 -0.53 -0.09 116.57 122.96 2jbg h LYS 73 Ca 0.13 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2jbg h LYS 73 Cb 0.25 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2jbg h LYS 73 CO -0.00 0.48 -0.19 0.93 -2.27 0.00 0.00 179.45 178.40 2jbg h GLU 74 N 0.75 0.50 -0.53 1.90 5.08 -1.14 -1.71 114.58 119.43 2jbg h GLU 74 Ca 0.29 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2jbg h GLU 74 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2jbg h GLU 74 CO -0.15 0.83 0.17 2.35 -1.00 0.00 0.00 179.01 181.21 2jbg h TRP 75 N 0.19 0.85 -0.43 4.33 7.01 -1.07 0.13 115.95 126.95 2jbg h TRP 75 Ca 0.04 -0.08 -0.06 0.00 2.11 0.00 0.00 58.89 60.90 2jbg h TRP 75 Cb 0.72 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 2jbg h TRP 75 CO 0.08 0.72 0.05 0.00 -2.79 0.00 0.00 178.44 176.50 2jbg h ARG 76 N 0.73 0.73 -0.29 2.65 3.08 -1.02 -1.94 114.38 118.32 2jbg h ARG 76 Ca 0.17 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2jbg h ARG 76 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2jbg h ARG 76 CO -0.01 0.77 0.15 0.00 -1.07 0.00 0.00 179.97 179.82 2jbg h ALA 77 N 0.93 0.37 -0.00 0.04 0.00 -1.10 0.18 119.26 119.68 2jbg h ALA 77 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jbg h ALA 77 Cb 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jbg h ALA 77 CO 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.18 2jbg h ALA 78 N 1.01 1.48 -0.59 0.00 0.00 -0.59 -0.73 119.26 119.85 2jbg h ALA 78 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jbg h ALA 78 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jbg h ALA 78 CO -0.01 -0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 2jbg n ASN 79 N -3.78 4.49 -2.15 0.00 3.02 -0.74 -4.96 115.26 111.13 2jbg n ASN 79 Ca -0.03 -2.44 -0.20 0.00 -0.03 0.00 0.00 54.58 51.88 2jbg n ASN 79 Cb 0.08 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.95 0.01 3.92 7.41 0.00 -0.28 -5.00 105.19 112.20 2jbg n GLY 80 Ca 0.24 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.75 3.46 0.39 1.61 1.02 -0.01 -5.02 119.74 116.44 2jbg s LYS 81 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 55.97 55.30 2jbg s LYS 81 Cb 0.00 -3.00 -0.11 0.00 -0.52 0.00 0.00 37.83 34.20 2jbg s LYS 81 CO 0.00 0.57 1.16 -0.35 -0.92 0.00 0.00 175.35 175.81 2jbg n PRO 82 N 0.09 1.71 -1.02 -1.68 -0.04 -1.26 -4.34 135.00 128.47 2jbg n PRO 82 Ca -0.05 0.61 -0.01 0.00 -0.04 0.00 0.00 63.50 64.01 2jbg n PRO 82 Cb 0.52 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 0.97 1.80 3.72 0.55 0.00 -1.26 -4.69 105.19 106.28 2jbg n GLY 83 Ca 0.07 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 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 0.80 2.02 0.29 1.61 0.08 -1.26 -3.72 117.98 117.80 2jbg s PHE 84 Ca 0.02 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 58.32 2jbg s PHE 84 Cb -0.00 -3.60 -0.11 0.00 -0.57 0.00 0.00 43.02 38.74 2jbg s PHE 84 CO 0.01 -2.82 1.61 0.21 -0.10 0.00 0.00 175.22 174.14 2jbg s LYS 85 N -3.65 4.11 0.97 0.44 2.20 0.18 -4.93 119.74 119.06 2jbg s LYS 85 Ca 0.79 2.60 -0.16 0.00 -0.36 0.00 0.00 55.97 58.84 2jbg s LYS 85 Cb -0.34 -3.02 0.20 0.00 -1.51 0.00 0.00 37.83 33.17 2jbg s LYS 85 CO 0.43 -0.65 1.31 -1.14 -0.36 0.00 0.00 175.35 174.94 2jbg s GLN 86 N -0.42 0.59 0.00 4.03 2.00 -1.26 -4.39 119.66 120.21 2jbg s GLN 86 Ca 0.64 -0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.61 2jbg s GLN 86 Cb -0.48 -1.84 0.00 0.00 0.80 0.00 0.00 33.01 31.49 2jbg s GLN 86 CO 0.47 -2.45 0.00 0.41 -0.50 0.00 0.00 175.29 173.22