#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jb0 s LYS 4 N 0.00 3.00 -0.63 3.23 -0.14 -1.26 -4.96 119.74 118.98 2jb0 s LYS 4 Ca 0.00 1.26 0.00 0.00 -1.36 0.00 0.00 55.97 55.87 2jb0 s LYS 4 Cb 0.00 -1.99 0.42 0.00 -1.68 0.00 0.00 37.83 34.59 2jb0 s LYS 4 CO 0.00 -1.07 1.82 0.27 -0.76 0.00 0.00 175.35 175.61 2jb0 n ASN 5 N -2.37 6.98 -3.65 2.83 2.04 -1.26 -4.91 115.26 114.92 2jb0 n ASN 5 Ca 0.09 -3.79 -0.02 0.00 -0.44 0.00 0.00 54.58 50.43 2jb0 n ASN 5 Cb 0.53 -0.86 -0.07 0.00 -2.53 0.00 0.00 39.78 36.85 2jb0 n ASN 5 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2jb0 s SER 6 N -2.07 -0.16 0.51 0.53 0.15 -1.26 -5.00 113.70 106.40 2jb0 s SER 6 Ca 0.58 0.29 0.17 0.00 0.70 0.00 0.00 55.95 57.68 2jb0 s SER 6 Cb 0.47 0.67 1.26 0.00 -1.71 0.00 0.00 66.02 66.71 2jb0 s SER 6 CO -0.12 -0.05 2.13 -0.29 1.20 0.00 0.00 173.24 176.11 2jb0 h ILE 7 N 4.08 0.99 0.00 6.45 6.09 -1.91 -1.47 117.51 131.74 2jb0 h ILE 7 Ca -0.27 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 2jb0 h ILE 7 Cb 1.18 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.53 2jb0 h ILE 7 CO 0.19 0.03 0.00 0.28 -3.07 0.00 0.00 178.15 175.59 2jb0 h SER 8 N 0.00 0.00 0.49 2.19 0.02 -1.84 -2.11 113.55 112.30 2jb0 h SER 8 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jb0 h SER 8 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2jb0 h SER 8 CO 0.00 0.00 -0.36 0.47 -1.14 0.00 0.00 176.83 175.80 2jb0 n ASP 9 N -2.31 0.55 -4.61 3.07 8.00 -0.55 -3.51 116.55 117.19 2jb0 n ASP 9 Ca 0.01 -0.33 -0.35 0.00 0.71 0.00 0.00 54.79 54.83 2jb0 n ASP 9 Cb 0.16 0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 2jb0 n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2jb0 s TYR 10 N -2.85 3.22 0.67 1.24 2.02 -0.79 -4.84 117.35 116.02 2jb0 s TYR 10 Ca 0.16 0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.75 2jb0 s TYR 10 Cb 0.18 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 2jb0 s TYR 10 CO 0.63 0.09 1.06 0.95 -1.57 0.00 0.00 175.55 176.70 2jb0 s THR 11 N 0.53 3.75 0.28 -0.71 -4.23 -1.26 -0.19 115.64 113.81 2jb0 s THR 11 Ca 0.03 0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 2jb0 s THR 11 Cb -0.13 -3.55 0.26 0.00 1.34 0.00 0.00 72.50 70.42 2jb0 s THR 11 CO 0.01 -0.71 1.94 -0.33 -0.54 0.00 0.00 174.62 174.98 2jb0 h GLU 12 N -0.53 1.18 -0.71 3.99 5.08 -1.93 -1.69 114.58 119.97 2jb0 h GLU 12 Ca -0.45 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2jb0 h GLU 12 Cb 1.24 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2jb0 h GLU 12 CO 0.63 0.78 0.33 0.00 -1.00 0.00 0.00 179.01 179.75 2jb0 h ALA 13 N 1.44 0.91 -0.10 3.43 0.00 -1.95 -2.11 119.26 120.88 2jb0 h ALA 13 Ca 0.35 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2jb0 h ALA 13 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2jb0 h ALA 13 CO -0.09 0.49 -0.32 0.93 0.00 0.00 0.00 179.25 180.26 2jb0 h GLU 14 N 0.99 0.20 -0.15 0.00 5.08 -1.78 -2.14 114.58 116.78 2jb0 h GLU 14 Ca 0.24 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 2jb0 h GLU 14 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2jb0 h GLU 14 CO -0.03 0.50 -0.51 0.35 -1.00 0.00 0.00 179.01 178.32 2jb0 h PHE 15 N 0.17 0.50 -0.60 4.33 3.57 -0.93 -2.01 116.94 121.98 2jb0 h PHE 15 Ca 0.02 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 2jb0 h PHE 15 Cb 0.65 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2jb0 h PHE 15 CO 0.01 0.83 0.18 0.28 -2.23 0.00 0.00 178.31 177.38 2jb0 h VAL 16 N 0.32 1.23 -0.72 1.41 2.07 -0.92 -0.51 116.25 119.14 2jb0 h VAL 16 Ca 0.01 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 2jb0 h VAL 16 Cb 1.01 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2jb0 h VAL 16 CO 0.09 0.31 0.24 1.56 0.02 0.00 0.00 177.57 179.79 2jb0 h GLN 17 N 0.88 1.09 -0.55 1.57 4.20 -1.03 -0.46 115.11 120.82 2jb0 h GLN 17 Ca 0.20 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2jb0 h GLN 17 Cb 0.27 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2jb0 h GLN 17 CO -0.01 0.92 0.27 1.25 -0.67 0.00 0.00 178.83 180.59 2jb0 h LEU 18 N 1.06 0.71 -1.06 1.46 5.85 -0.59 -1.66 115.31 121.08 2jb0 h LEU 18 Ca 0.24 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2jb0 h LEU 18 Cb 0.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2jb0 h LEU 18 CO -0.01 0.63 0.01 -0.07 -0.34 0.00 0.00 178.44 178.67 2jb0 h LEU 19 N 0.74 0.64 -0.97 2.25 3.38 -0.48 -1.96 115.31 118.91 2jb0 h LEU 19 Ca 0.19 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2jb0 h LEU 19 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2jb0 h LEU 19 CO -0.03 0.71 -0.35 0.11 0.09 0.00 0.00 178.44 178.97 2jb0 h LYS 20 N 0.65 0.00 -0.33 1.13 1.79 -0.68 -0.52 116.57 118.59 2jb0 h LYS 20 Ca 0.13 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 2jb0 h LYS 20 Cb 0.38 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jb0 h LYS 20 CO 0.01 0.35 -0.46 1.49 -1.08 0.00 0.00 179.45 179.76 2jb0 h GLU 21 N 0.00 0.89 -0.66 3.15 4.57 -0.83 -1.40 114.58 120.30 2jb0 h GLU 21 Ca -0.00 -0.51 -0.09 0.00 -1.18 0.00 0.00 59.36 57.58 2jb0 h GLU 21 Cb 0.87 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.47 2jb0 h GLU 21 CO 0.05 1.16 0.08 0.82 -1.18 0.00 0.00 179.01 179.93 2jb0 h ILE 22 N 0.71 1.27 -0.50 2.32 2.04 -1.02 -1.83 117.51 120.49 2jb0 h ILE 22 Ca 0.04 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 2jb0 h ILE 22 Cb 1.06 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2jb0 h ILE 22 CO 0.11 0.40 0.16 -0.33 0.00 0.00 0.00 178.15 178.49 2jb0 h GLU 23 N 1.03 0.74 -0.34 2.37 5.08 -0.87 -0.17 114.58 122.42 2jb0 h GLU 23 Ca 0.20 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2jb0 h GLU 23 Cb 0.48 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2jb0 h GLU 23 CO 0.02 0.64 0.01 -0.22 -1.00 0.00 0.00 179.01 178.46 2jb0 h LYS 24 N 0.72 0.58 0.00 2.33 3.64 -0.87 -2.88 116.57 120.09 2jb0 h LYS 24 Ca 0.17 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2jb0 h LYS 24 Cb 0.21 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2jb0 h LYS 24 CO -0.01 0.70 -0.16 0.93 -2.27 0.00 0.00 179.45 178.64 2jb0 h GLU 25 N 0.40 0.00 -0.98 1.90 4.39 -0.82 -2.58 114.58 116.88 2jb0 h GLU 25 Ca 0.10 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.87 2jb0 h GLU 25 Cb 0.42 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 2jb0 h GLU 25 CO 0.01 0.16 0.63 -0.91 -1.16 0.00 0.00 179.01 177.75 2jb0 h ASN 26 N 0.00 1.00 -0.58 1.42 2.35 -0.81 -1.78 115.58 117.17 2jb0 h ASN 26 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2jb0 h ASN 26 Cb 0.62 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2jb0 h ASN 26 CO 0.02 0.63 0.00 1.33 -1.65 0.00 0.00 177.43 177.76 2jb0 n VAL 27 N -4.51 0.77 -1.63 2.81 0.24 -0.98 -4.94 118.33 110.09 2jb0 n VAL 27 Ca 0.15 -0.78 -0.30 0.00 -2.04 0.00 0.00 64.34 61.37 2jb0 n VAL 27 Cb 0.20 0.41 0.06 0.00 -1.47 0.00 0.00 33.84 33.05 2jb0 n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jb0 s ALA 28 N -1.23 2.58 0.28 2.33 0.00 -0.67 -4.95 121.76 120.10 2jb0 s ALA 28 Ca 0.39 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2jb0 s ALA 28 Cb 0.21 -3.12 0.64 0.00 0.00 0.00 0.00 23.12 20.84 2jb0 s ALA 28 CO 0.27 -1.35 1.76 0.00 0.00 0.00 0.00 175.76 176.43 2jb0 h ALA 29 N -0.81 1.44 -1.72 0.00 0.00 -1.92 -3.44 119.26 112.80 2jb0 h ALA 29 Ca -0.45 0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.03 2jb0 h ALA 29 Cb 1.24 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 2jb0 h ALA 29 CO 0.59 -0.12 -0.55 0.95 0.00 0.00 0.00 179.25 180.12 2jb0 s THR 30 N -5.92 0.86 -1.69 0.00 -4.23 -1.26 -5.06 115.64 98.34 2jb0 s THR 30 Ca -0.12 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.59 2jb0 s THR 30 Cb 0.23 -2.51 0.56 0.00 1.34 0.00 0.00 72.50 72.12 2jb0 s THR 30 CO 0.79 0.00 1.46 0.47 -0.54 0.00 0.00 174.62 176.80 2jb0 n ASP 31 N -1.04 3.69 -0.08 3.99 8.00 -1.26 -4.66 116.55 125.19 2jb0 n ASP 31 Ca -0.05 -2.00 -0.06 0.00 0.71 0.00 0.00 54.79 53.38 2jb0 n ASP 31 Cb 0.66 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2jb0 n ASP 31 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2jb0 h ASP 32 N 3.69 -0.48 0.08 -2.24 3.32 -1.97 0.11 116.42 118.94 2jb0 h ASP 32 Ca 0.00 0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 2jb0 h ASP 32 Cb 0.92 0.27 0.02 0.00 0.22 0.00 0.00 39.33 40.76 2jb0 h ASP 32 CO 0.00 -0.18 -0.77 0.58 -1.72 0.00 0.00 179.24 177.15 2jb0 h VAL 33 N -0.09 1.45 -0.35 -1.35 2.07 -1.96 -3.32 116.25 112.70 2jb0 h VAL 33 Ca 0.16 -2.34 0.07 0.00 0.82 0.00 0.00 66.70 65.42 2jb0 h VAL 33 Cb 0.33 2.90 -0.09 0.00 -1.52 0.00 0.00 31.29 32.91 2jb0 h VAL 33 CO -0.37 0.67 -0.32 0.25 0.02 0.00 0.00 177.57 177.82 2jb0 h LEU 34 N -0.19 -1.05 -2.08 2.57 5.85 -1.78 -1.65 115.31 116.98 2jb0 h LEU 34 Ca -0.12 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.85 2jb0 h LEU 34 Cb 1.54 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 43.04 2jb0 h LEU 34 CO 0.15 -0.32 0.19 0.44 -0.34 0.00 0.00 178.44 178.56 2jb0 h ASP 35 N -0.27 0.00 -0.12 1.25 3.32 -0.90 0.13 116.42 119.83 2jb0 h ASP 35 Ca 0.16 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.00 2jb0 h ASP 35 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 2jb0 h ASP 35 CO -0.50 0.00 -0.73 0.58 -1.72 0.00 0.00 179.24 176.86 2jb0 h VAL 36 N 0.00 1.30 -0.47 -1.35 2.07 -1.42 -1.44 116.25 114.95 2jb0 h VAL 36 Ca 0.11 -1.96 -0.09 0.00 0.82 0.00 0.00 66.70 65.58 2jb0 h VAL 36 Cb 0.50 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2jb0 h VAL 36 CO -0.00 0.61 -0.08 -0.07 0.02 0.00 0.00 177.57 178.06 2jb0 h LEU 37 N 0.41 0.81 -0.42 2.57 3.38 -0.79 -2.05 115.31 119.22 2jb0 h LEU 37 Ca -0.06 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2jb0 h LEU 37 Cb 1.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2jb0 h LEU 37 CO 0.15 0.92 -0.17 -0.07 0.09 0.00 0.00 178.44 179.36 2jb0 h LEU 38 N 0.75 0.87 -0.90 1.67 3.38 -0.96 -0.15 115.31 119.97 2jb0 h LEU 38 Ca 0.13 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2jb0 h LEU 38 Cb 0.57 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2jb0 h LEU 38 CO 0.03 1.07 0.57 -0.33 0.09 0.00 0.00 178.44 179.88 2jb0 h GLU 39 N 0.67 1.05 -0.38 1.13 5.08 -1.07 0.87 114.58 121.93 2jb0 h GLU 39 Ca 0.10 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2jb0 h GLU 39 Cb 0.73 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2jb0 h GLU 39 CO 0.06 0.69 0.04 1.25 -1.00 0.00 0.00 179.01 180.04 2jb0 h HIS 40 N 1.08 0.70 -0.30 4.33 2.76 -1.14 -1.19 115.15 121.39 2jb0 h HIS 40 Ca 0.37 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.47 2jb0 h HIS 40 Cb 0.08 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 2jb0 h HIS 40 CO -0.02 0.71 0.09 0.35 -1.30 0.00 0.00 177.93 177.76 2jb0 h PHE 41 N 0.49 0.15 -0.71 5.26 3.04 -0.24 -1.84 116.94 123.09 2jb0 h PHE 41 Ca 0.11 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.03 2jb0 h PHE 41 Cb 0.41 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 2jb0 h PHE 41 CO 0.03 0.06 0.26 0.28 -2.02 0.00 0.00 178.31 176.92 2jb0 h VAL 42 N 0.21 1.25 -0.14 1.41 2.07 -0.69 -2.07 116.25 118.29 2jb0 h VAL 42 Ca 0.14 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2jb0 h VAL 42 Cb 0.12 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2jb0 h VAL 42 CO -0.15 0.33 0.06 0.50 0.02 0.00 0.00 177.57 178.33 2jb0 h LYS 43 N 1.03 0.21 -0.00 1.57 3.64 -0.78 -2.55 116.57 119.68 2jb0 h LYS 43 Ca 0.23 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.41 2jb0 h LYS 43 Cb 0.25 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2jb0 h LYS 43 CO -0.01 0.27 -0.81 -0.84 -2.27 0.00 0.00 179.45 175.79 2jb0 h ILE 44 N 0.09 1.56 -0.16 2.00 3.07 -1.33 -3.28 117.51 119.46 2jb0 h ILE 44 Ca 0.05 -2.70 -0.19 0.00 1.55 0.00 0.00 64.86 63.58 2jb0 h ILE 44 Cb 0.13 2.46 -0.00 0.00 -0.27 0.00 0.00 36.82 39.15 2jb0 h ILE 44 CO -0.01 0.77 -0.66 0.71 -1.05 0.00 0.00 178.15 177.92 2jb0 h THR 45 N 0.02 1.32 -0.52 0.16 1.35 -1.38 -3.38 112.91 110.49 2jb0 h THR 45 Ca -0.01 -1.93 -0.22 0.00 -0.55 0.00 0.00 66.41 63.70 2jb0 h THR 45 Cb 1.42 1.90 -0.09 0.00 -1.73 0.00 0.00 68.15 69.65 2jb0 h THR 45 CO 0.11 0.60 -0.20 -0.62 -0.25 0.00 0.00 175.52 175.16 2jb0 n GLU 46 N -3.92 -1.12 -2.85 4.72 1.02 -0.96 -4.98 120.64 112.54 2jb0 n GLU 46 Ca -0.05 0.84 -0.41 0.00 -0.02 0.00 0.00 57.16 57.53 2jb0 n GLU 46 Cb 0.67 -4.95 -0.04 0.00 -0.02 0.00 0.00 31.44 27.10 2jb0 n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jb0 s HIS 47 N -2.22 3.71 0.47 -0.32 2.46 -1.26 -4.94 115.29 113.18 2jb0 s HIS 47 Ca 0.00 1.59 0.18 0.00 0.47 0.00 0.00 55.06 57.30 2jb0 s HIS 47 Cb 0.00 -2.97 1.16 0.00 -0.13 0.00 0.00 32.58 30.65 2jb0 s HIS 47 CO 0.00 0.14 1.97 -1.00 -2.47 0.00 0.00 174.74 173.38 2jb0 h PRO 48 N 6.14 0.26 -0.00 2.88 0.13 -1.96 -0.64 132.00 138.81 2jb0 h PRO 48 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2jb0 h PRO 48 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jb0 h PRO 48 CO 0.73 0.17 -0.06 -0.25 -0.23 0.00 0.00 178.00 178.36 2jb0 n ASP 49 N -4.44 0.29 0.00 1.44 8.00 -1.26 -4.97 116.55 115.61 2jb0 n ASP 49 Ca 0.11 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2jb0 n ASP 49 Cb 0.50 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2jb0 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jb0 n GLY 50 N 1.25 2.71 0.05 0.44 0.00 -0.25 -1.40 105.19 107.99 2jb0 n GLY 50 Ca 0.16 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.33 2jb0 n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jb0 n THR 51 N 0.00 1.58 0.27 2.61 -2.24 -1.26 -2.09 114.28 113.14 2jb0 n THR 51 Ca 0.00 0.57 0.10 0.00 -2.27 0.00 0.00 64.05 62.45 2jb0 n THR 51 Cb 0.00 -1.57 0.72 0.00 -2.10 0.00 0.00 70.33 67.38 2jb0 n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2jb0 h ASP 52 N 0.00 0.00 0.08 3.42 5.19 -1.58 0.12 116.42 123.64 2jb0 h ASP 52 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2jb0 h ASP 52 Cb 0.10 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 2jb0 h ASP 52 CO 0.00 0.05 -0.06 -0.07 -3.12 0.00 0.00 179.24 176.04 2jb0 h LEU 53 N 0.00 0.00 0.01 1.55 3.38 -1.63 0.34 115.31 118.96 2jb0 h LEU 53 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2jb0 h LEU 53 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2jb0 h LEU 53 CO 0.01 0.06 -1.66 -0.38 0.09 0.00 0.00 178.44 176.56 2jb0 n ILE 54 N -4.31 1.56 0.56 1.22 5.41 -0.09 -4.35 119.36 119.36 2jb0 n ILE 54 Ca -0.03 -0.19 0.11 0.00 1.00 0.00 0.00 62.75 63.65 2jb0 n ILE 54 Cb 0.14 -1.95 0.04 0.00 -0.71 0.00 0.00 39.64 37.16 2jb0 n ILE 54 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2jb0 n TYR 55 N -4.25 0.31 -3.19 1.39 4.01 -0.51 -4.52 117.16 110.41 2jb0 n TYR 55 Ca -0.37 0.09 -0.21 0.00 -0.16 0.00 0.00 57.90 57.25 2jb0 n TYR 55 Cb 0.78 -0.47 -0.05 0.00 -0.31 0.00 0.00 39.34 39.29 2jb0 n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2jb0 n TYR 56 N -1.99 0.23 -2.13 -0.72 4.01 0.12 -5.03 117.16 111.64 2jb0 n TYR 56 Ca 0.02 -3.74 -0.39 0.00 -0.16 0.00 0.00 57.90 53.62 2jb0 n TYR 56 Cb 0.44 -0.40 -0.01 0.00 -0.31 0.00 0.00 39.34 39.06 2jb0 n TYR 56 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2jb0 s PRO 57 N -2.04 4.04 0.42 -0.72 0.04 -1.17 -4.59 135.00 130.98 2jb0 s PRO 57 Ca 0.39 2.07 -0.26 0.00 0.04 0.00 0.00 61.00 63.24 2jb0 s PRO 57 Cb 0.28 -2.78 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 2jb0 s PRO 57 CO -0.09 -0.40 1.36 -1.12 0.04 0.00 0.00 177.00 176.78 2jb0 s SER 58 N -0.82 6.19 0.00 6.66 0.01 -1.26 -4.87 113.70 119.61 2jb0 s SER 58 Ca 0.56 2.78 0.16 0.00 1.31 0.00 0.00 55.95 60.75 2jb0 s SER 58 Cb -0.36 -2.65 0.85 0.00 0.21 0.00 0.00 66.02 64.07 2jb0 s SER 58 CO 0.46 -0.95 1.41 0.47 0.41 0.00 0.00 173.24 175.05 2jb0 n ASP 59 N 0.07 0.00 -0.74 2.44 8.00 -1.26 -2.50 116.55 122.56 2jb0 n ASP 59 Ca 0.04 -0.15 0.08 0.00 0.71 0.00 0.00 54.79 55.47 2jb0 n ASP 59 Cb 0.43 -0.18 0.25 0.00 -0.02 0.00 0.00 41.12 41.60 2jb0 n ASP 59 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jb0 n ASN 60 N -1.18 2.17 -3.93 -2.24 6.94 -1.26 -4.91 115.26 110.85 2jb0 n ASN 60 Ca 0.09 -1.90 -0.09 0.00 -0.02 0.00 0.00 54.58 52.65 2jb0 n ASN 60 Cb 0.10 -0.22 -0.05 0.00 -2.36 0.00 0.00 39.78 37.24 2jb0 n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jb0 s ARG 61 N -1.55 1.39 0.29 -3.83 1.04 -1.04 -5.15 118.95 110.10 2jb0 s ARG 61 Ca 0.30 -1.14 -0.29 0.00 -1.04 0.00 0.00 55.73 53.56 2jb0 s ARG 61 Cb 0.16 0.45 -0.10 0.00 -2.04 0.00 0.00 34.95 33.43 2jb0 s ARG 61 CO 0.23 -0.56 1.22 -0.51 -0.04 0.00 0.00 175.30 175.63 2jb0 s ASP 62 N -2.97 7.00 -1.15 -2.89 1.01 -1.26 -4.80 116.67 111.61 2jb0 s ASP 62 Ca 0.18 2.47 -0.14 0.00 0.71 0.00 0.00 52.55 55.77 2jb0 s ASP 62 Cb 0.00 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.47 2jb0 s ASP 62 CO 0.04 -0.37 1.36 -0.62 0.21 0.00 0.00 175.17 175.78 2jb0 s ASP 63 N -0.52 7.00 0.21 0.27 2.15 -1.26 -4.16 116.67 120.37 2jb0 s ASP 63 Ca 0.48 -2.85 -0.19 0.00 0.43 0.00 0.00 52.55 50.42 2jb0 s ASP 63 Cb -0.36 -2.39 0.03 0.00 -0.30 0.00 0.00 42.92 39.90 2jb0 s ASP 63 CO 0.46 -0.78 0.58 -0.94 -0.17 0.00 0.00 175.17 174.32 2jb0 s SER 64 N 2.91 -0.30 0.37 -0.34 1.04 -1.26 -4.99 113.70 111.12 2jb0 s SER 64 Ca 0.40 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.43 2jb0 s SER 64 Cb -0.04 0.62 0.76 0.00 0.10 0.00 0.00 66.02 67.46 2jb0 s SER 64 CO -0.02 -1.12 1.96 -0.65 0.98 0.00 0.00 173.24 174.39 2jb0 h PRO 65 N 2.12 0.71 -0.42 4.02 0.11 -1.98 -0.63 132.00 135.94 2jb0 h PRO 65 Ca -0.27 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.68 2jb0 h PRO 65 Cb 1.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2jb0 h PRO 65 CO 0.34 0.47 -0.22 0.93 -0.21 0.00 0.00 178.00 179.31 2jb0 h GLU 66 N 0.73 0.85 -0.40 1.05 3.07 -1.96 -2.43 114.58 115.49 2jb0 h GLU 66 Ca 0.31 -0.35 -0.11 0.00 -0.50 0.00 0.00 59.36 58.71 2jb0 h GLU 66 Cb 0.27 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2jb0 h GLU 66 CO -0.10 0.99 -0.20 0.78 -1.40 0.00 0.00 179.01 179.07 2jb0 h GLY 67 N 0.94 0.85 0.92 -3.84 0.00 -1.34 -2.15 103.07 98.45 2jb0 h GLY 67 Ca 0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 2jb0 h GLY 67 CO 0.06 0.65 0.11 -2.22 0.00 0.00 0.00 176.54 175.14 2jb0 h ILE 68 N 0.69 1.20 -0.64 2.60 2.04 -1.05 -1.66 117.51 120.69 2jb0 h ILE 68 Ca 0.10 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2jb0 h ILE 68 Cb 0.71 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2jb0 h ILE 68 CO 0.05 0.22 0.31 0.58 0.00 0.00 0.00 178.15 179.31 2jb0 h VAL 69 N 0.39 1.22 -0.50 1.67 2.07 -1.38 -1.84 116.25 117.88 2jb0 h VAL 69 Ca 0.11 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2jb0 h VAL 69 Cb 0.23 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2jb0 h VAL 69 CO -0.01 0.25 0.17 0.50 0.02 0.00 0.00 177.57 178.51 2jb0 h LYS 70 N 0.88 0.77 -0.58 1.57 3.64 -1.19 -0.12 116.57 121.54 2jb0 h LYS 70 Ca 0.22 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2jb0 h LYS 70 Cb 0.11 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2jb0 h LYS 70 CO -0.03 0.71 0.21 1.49 -2.27 0.00 0.00 179.45 179.56 2jb0 h GLU 71 N 0.68 0.89 -0.45 1.90 4.81 -1.14 -1.15 114.58 120.12 2jb0 h GLU 71 Ca 0.16 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2jb0 h GLU 71 Cb 0.25 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2jb0 h GLU 71 CO -0.01 0.78 0.25 0.82 -0.73 0.00 0.00 179.01 180.12 2jb0 h ILE 72 N 0.81 1.16 -0.37 2.32 2.04 -1.13 -1.18 117.51 121.15 2jb0 h ILE 72 Ca 0.19 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.69 2jb0 h ILE 72 Cb 0.24 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2jb0 h ILE 72 CO -0.01 0.17 0.15 0.11 0.00 0.00 0.00 178.15 178.56 2jb0 h LYS 73 N 0.58 0.31 -0.71 2.37 1.57 -0.72 -0.96 116.57 119.02 2jb0 h LYS 73 Ca 0.16 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2jb0 h LYS 73 Cb 0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2jb0 h LYS 73 CO -0.03 0.20 0.27 0.93 -0.57 0.00 0.00 179.45 180.26 2jb0 h GLU 74 N 0.32 1.06 -0.17 3.15 5.08 -1.01 -1.67 114.58 121.33 2jb0 h GLU 74 Ca 0.17 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2jb0 h GLU 74 Cb 0.12 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jb0 h GLU 74 CO -0.15 0.88 -0.20 2.35 -1.00 0.00 0.00 179.01 180.89 2jb0 h TRP 75 N 1.01 0.53 -0.23 4.33 7.01 -0.91 -1.39 115.95 126.31 2jb0 h TRP 75 Ca 0.23 -0.17 -0.08 0.00 2.11 0.00 0.00 58.89 60.99 2jb0 h TRP 75 Cb 0.23 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2jb0 h TRP 75 CO 0.02 0.83 -0.20 0.00 -2.79 0.00 0.00 178.44 176.29 2jb0 h ARG 76 N 0.09 0.40 -0.24 2.65 3.08 -1.18 -2.05 114.38 117.13 2jb0 h ARG 76 Ca 0.02 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 2jb0 h ARG 76 Cb 0.75 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 2jb0 h ARG 76 CO 0.05 0.59 -0.32 0.00 -1.07 0.00 0.00 179.97 179.22 2jb0 h ALA 77 N 1.42 0.37 0.00 0.04 0.00 -1.25 0.23 119.26 120.07 2jb0 h ALA 77 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jb0 h ALA 77 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jb0 h ALA 77 CO 0.04 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2jb0 h ALA 78 N 0.66 1.00 -0.36 0.00 0.00 -0.98 -2.48 119.26 117.09 2jb0 h ALA 78 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jb0 h ALA 78 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jb0 h ALA 78 CO 0.08 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.42 2jb0 n ASN 79 N -2.81 3.54 -2.57 0.00 3.02 -0.80 -4.98 115.26 110.66 2jb0 n ASN 79 Ca -0.00 -2.43 -0.19 0.00 -0.03 0.00 0.00 54.58 51.93 2jb0 n ASN 79 Cb 0.20 -0.39 0.03 0.00 -0.61 0.00 0.00 39.78 39.01 2jb0 n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jb0 n GLY 80 N 0.24 -0.31 3.68 7.41 0.00 -0.94 -5.02 105.19 110.26 2jb0 n GLY 80 Ca 0.17 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2jb0 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jb0 s LYS 81 N -5.54 2.58 0.39 1.61 1.02 0.78 -5.04 119.74 115.54 2jb0 s LYS 81 Ca 0.27 -0.80 -0.27 0.00 0.02 0.00 0.00 55.97 55.19 2jb0 s LYS 81 Cb -0.12 -2.56 -0.11 0.00 -0.52 0.00 0.00 37.83 34.53 2jb0 s LYS 81 CO 0.33 0.56 1.48 -0.35 -0.92 0.00 0.00 175.35 176.45 2jb0 n PRO 82 N 0.73 2.59 -0.46 -1.68 -0.04 -1.26 -4.33 135.00 130.55 2jb0 n PRO 82 Ca -0.11 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 2jb0 n PRO 82 Cb 0.52 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2jb0 n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jb0 n GLY 83 N 0.48 1.22 3.74 0.55 0.00 -1.26 -4.71 105.19 105.21 2jb0 n GLY 83 Ca 0.02 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 2jb0 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jb0 s PHE 84 N 0.91 2.27 -0.02 1.61 0.08 -1.26 -3.91 117.98 117.66 2jb0 s PHE 84 Ca 0.00 1.54 -0.30 0.00 0.12 0.00 0.00 56.93 58.29 2jb0 s PHE 84 Cb 0.00 -3.49 -0.07 0.00 -0.57 0.00 0.00 43.02 38.90 2jb0 s PHE 84 CO 0.00 -2.38 1.74 0.21 -0.10 0.00 0.00 175.22 174.69 2jb0 s LYS 85 N -3.56 4.17 0.00 0.44 2.20 0.74 -4.94 119.74 118.80 2jb0 s LYS 85 Ca 0.76 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.69 2jb0 s LYS 85 Cb -0.30 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 2jb0 s LYS 85 CO 0.38 -0.87 0.01 1.04 -0.36 0.00 0.00 175.35 175.55 2jb0 n GLN 86 N 7.14 0.00 0.00 4.03 1.13 -1.26 -4.19 117.38 124.23 2jb0 n GLN 86 Ca 0.18 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 2jb0 n GLN 86 Cb 0.42 -0.84 0.00 0.00 0.11 0.00 0.00 30.24 29.93 2jb0 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03