#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba2 n THR 6 N 0.00 1.02 0.89 2.61 5.66 -1.26 -1.21 114.28 121.99 2ba2 n THR 6 Ca 0.00 0.25 0.12 0.00 -3.05 0.00 0.00 64.05 61.38 2ba2 n THR 6 Cb 0.00 -1.04 0.25 0.00 -1.55 0.00 0.00 70.33 67.99 2ba2 n THR 6 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2ba2 n ARG 7 N -1.44 0.07 -3.29 1.09 3.00 -1.26 -4.93 116.66 109.89 2ba2 n ARG 7 Ca 0.04 0.02 -0.29 0.00 -0.01 0.00 0.00 57.85 57.60 2ba2 n ARG 7 Cb 0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 32.46 31.02 2ba2 n ARG 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2ba2 s TYR 8 N -3.04 3.47 -0.09 -1.55 2.02 -0.35 -5.08 117.35 112.73 2ba2 s TYR 8 Ca 0.10 0.74 -0.23 0.00 -0.37 0.00 0.00 57.07 57.31 2ba2 s TYR 8 Cb 0.17 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 2ba2 s TYR 8 CO 0.69 0.16 0.67 0.08 -1.57 0.00 0.00 175.55 175.58 2ba2 s VAL 9 N -2.06 5.06 0.56 0.71 1.01 -1.26 -5.07 120.40 119.34 2ba2 s VAL 9 Ca 0.45 1.37 -0.05 0.00 0.00 0.00 0.00 61.98 63.76 2ba2 s VAL 9 Cb -0.11 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2ba2 s VAL 9 CO 0.28 0.24 0.85 0.42 0.00 0.00 0.00 175.10 176.90 2ba2 s THR 10 N 0.90 3.85 0.35 3.92 -4.23 -1.26 -4.91 115.64 114.27 2ba2 s THR 10 Ca 0.35 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2ba2 s THR 10 Cb -0.17 -3.51 0.27 0.00 1.34 0.00 0.00 72.50 70.44 2ba2 s THR 10 CO 0.16 -0.49 1.99 0.45 -0.54 0.00 0.00 174.62 176.19 2ba2 h HIS 11 N -0.04 0.80 -0.34 3.99 3.86 -1.99 -1.15 115.15 120.26 2ba2 h HIS 11 Ca -0.46 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 58.62 2ba2 h HIS 11 Cb 1.25 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 2ba2 h HIS 11 CO 0.48 0.47 -0.39 -0.22 0.86 0.00 0.00 177.93 179.13 2ba2 h LYS 12 N 0.83 0.82 -0.21 2.45 3.11 -1.99 -2.09 116.57 119.49 2ba2 h LYS 12 Ca 0.27 -0.43 -0.12 0.00 -2.81 0.00 0.00 60.65 57.56 2ba2 h LYS 12 Cb 0.04 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 2ba2 h LYS 12 CO -0.07 1.06 -0.37 1.96 -2.81 0.00 0.00 179.45 179.22 2ba2 h GLN 13 N 0.67 0.46 -0.20 1.90 4.20 -1.76 -1.67 115.11 118.71 2ba2 h GLN 13 Ca 0.06 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 2ba2 h GLN 13 Cb 0.95 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2ba2 h GLN 13 CO 0.09 0.76 0.03 1.25 -0.67 0.00 0.00 178.83 180.30 2ba2 h LEU 14 N 0.38 0.32 -0.83 1.46 5.85 -1.09 -1.12 115.31 120.28 2ba2 h LEU 14 Ca 0.04 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2ba2 h LEU 14 Cb 0.83 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2ba2 h LEU 14 CO 0.07 0.50 0.54 0.44 -0.34 0.00 0.00 178.44 179.65 2ba2 h ASP 15 N 0.13 0.93 -0.52 1.25 3.45 -1.25 -0.79 116.42 119.62 2ba2 h ASP 15 Ca 0.06 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.44 2ba2 h ASP 15 Cb 0.31 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 2ba2 h ASP 15 CO 0.00 0.66 0.09 -0.08 -1.57 0.00 0.00 179.24 178.35 2ba2 h GLU 16 N 1.09 0.86 -0.59 3.56 4.81 -1.16 -2.86 114.58 120.30 2ba2 h GLU 16 Ca 0.31 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2ba2 h GLU 16 Cb -0.08 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 2ba2 h GLU 16 CO -0.08 0.84 0.09 0.87 -0.73 0.00 0.00 179.01 180.00 2ba2 h LYS 17 N 0.74 0.96 0.00 1.92 1.79 -0.78 -2.60 116.57 118.61 2ba2 h LYS 17 Ca 0.16 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2ba2 h LYS 17 Cb 0.39 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2ba2 h LYS 17 CO 0.01 0.90 0.00 1.28 -1.08 0.00 0.00 179.45 180.55 2ba2 n LEU 18 N -4.23 0.40 0.27 2.94 4.77 -0.34 -2.33 117.00 118.48 2ba2 n LEU 18 Ca 0.04 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.73 2ba2 n LEU 18 Cb 0.28 -0.54 0.75 0.00 -2.33 0.00 0.00 43.42 41.58 2ba2 n LEU 18 CO 0.42 -0.42 1.04 0.11 -1.33 0.00 0.00 177.39 177.21 2ba2 h LYS 19 N 0.00 0.00 -0.92 3.23 1.57 -1.24 -2.12 116.57 117.09 2ba2 h LYS 19 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 2ba2 h LYS 19 Cb 0.33 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.39 2ba2 h LYS 19 CO 0.00 0.06 0.53 0.27 -0.57 0.00 0.00 179.45 179.74 2ba2 n ASN 20 N -4.02 4.11 -4.33 0.86 0.23 -0.99 -4.93 115.26 106.20 2ba2 n ASN 20 Ca -0.03 -3.47 -0.17 0.00 -0.53 0.00 0.00 54.58 50.38 2ba2 n ASN 20 Cb 0.15 -0.81 -0.10 0.00 -2.08 0.00 0.00 39.78 36.93 2ba2 n ASN 20 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2ba2 s PHE 21 N -3.17 1.58 -0.20 -2.53 0.40 -0.80 -5.15 117.98 108.11 2ba2 s PHE 21 Ca 0.56 -0.82 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 2ba2 s PHE 21 Cb 0.46 -0.88 -0.05 0.00 0.51 0.00 0.00 43.02 43.07 2ba2 s PHE 21 CO 0.12 0.07 0.11 0.08 0.70 0.00 0.00 175.22 176.30 2ba2 s VAL 22 N -3.30 5.27 0.51 -0.44 1.01 -1.26 -5.04 120.40 117.15 2ba2 s VAL 22 Ca 0.26 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 2ba2 s VAL 22 Cb 0.04 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 2ba2 s VAL 22 CO 0.07 0.45 0.99 0.42 0.00 0.00 0.00 175.10 177.03 2ba2 s THR 23 N 0.34 4.38 0.30 3.92 -4.23 -1.26 -4.92 115.64 114.17 2ba2 s THR 23 Ca 0.07 1.21 0.01 0.00 -1.18 0.00 0.00 61.69 61.80 2ba2 s THR 23 Cb -0.11 -3.64 0.28 0.00 1.34 0.00 0.00 72.50 70.36 2ba2 s THR 23 CO -0.01 -0.59 1.89 0.11 -0.54 0.00 0.00 174.62 175.48 2ba2 h LYS 24 N 1.05 1.01 -0.01 3.99 1.57 -1.99 -1.83 116.57 120.36 2ba2 h LYS 24 Ca -0.47 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.26 2ba2 h LYS 24 Cb 1.19 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2ba2 h LYS 24 CO 0.61 0.67 -0.05 1.15 -0.57 0.00 0.00 179.45 181.25 2ba2 h THR 25 N 1.04 0.86 -0.33 -0.16 2.02 -1.99 0.24 112.91 114.59 2ba2 h THR 25 Ca 0.42 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.61 2ba2 h THR 25 Cb 0.26 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2ba2 h THR 25 CO -0.17 0.00 0.18 -0.33 0.37 0.00 0.00 175.52 175.57 2ba2 h GLU 26 N -0.09 0.35 -0.34 6.66 5.08 -1.84 -1.30 114.58 123.11 2ba2 h GLU 26 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ba2 h GLU 26 Cb 0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2ba2 h GLU 26 CO -0.06 0.23 0.16 0.35 -1.00 0.00 0.00 179.01 178.69 2ba2 h PHE 27 N 0.36 0.50 -0.77 4.33 3.57 -1.02 -1.45 116.94 122.46 2ba2 h PHE 27 Ca 0.13 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2ba2 h PHE 27 Cb 0.02 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2ba2 h PHE 27 CO -0.09 0.44 0.45 0.87 -2.23 0.00 0.00 178.31 177.75 2ba2 h LYS 28 N 0.41 1.05 -0.45 1.11 1.79 -0.37 0.90 116.57 121.02 2ba2 h LYS 28 Ca 0.12 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2ba2 h LYS 28 Cb 0.13 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 2ba2 h LYS 28 CO -0.01 0.76 0.28 1.49 -1.08 0.00 0.00 179.45 180.88 2ba2 h GLU 29 N 1.06 0.56 -0.34 3.15 4.81 -1.01 -0.93 114.58 121.87 2ba2 h GLU 29 Ca 0.27 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2ba2 h GLU 29 Cb -0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2ba2 h GLU 29 CO -0.05 0.37 0.12 0.35 -0.73 0.00 0.00 179.01 179.07 2ba2 h PHE 30 N 0.57 0.53 -0.27 0.92 3.57 -0.66 -2.09 116.94 119.51 2ba2 h PHE 30 Ca 0.17 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2ba2 h PHE 30 Cb -0.03 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 2ba2 h PHE 30 CO -0.06 0.51 -0.05 1.96 -2.23 0.00 0.00 178.31 178.45 2ba2 h GLN 31 N 0.40 0.03 -0.06 1.11 4.20 -0.49 -1.02 115.11 119.28 2ba2 h GLN 31 Ca 0.11 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.83 2ba2 h GLN 31 Cb 0.22 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2ba2 h GLN 31 CO -0.01 0.02 -0.02 1.79 -0.67 0.00 0.00 178.83 179.94 2ba2 h THR 32 N 0.03 0.93 -0.91 -0.54 1.35 -1.04 0.37 112.91 113.09 2ba2 h THR 32 Ca 0.13 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.00 2ba2 h THR 32 Cb 0.19 0.93 -0.04 0.00 -1.73 0.00 0.00 68.15 67.50 2ba2 h THR 32 CO -0.26 0.00 0.59 0.58 -0.25 0.00 0.00 175.52 176.18 2ba2 h VAL 33 N -0.00 1.24 0.03 6.82 2.07 -1.20 0.13 116.25 125.33 2ba2 h VAL 33 Ca 0.03 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2ba2 h VAL 33 Cb 0.05 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 2ba2 h VAL 33 CO -0.06 0.23 -0.02 0.58 0.02 0.00 0.00 177.57 178.32 2ba2 h VAL 34 N 1.24 1.25 -0.49 2.57 2.07 -0.80 0.67 116.25 122.76 2ba2 h VAL 34 Ca 0.33 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 2ba2 h VAL 34 Cb -0.12 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2ba2 h VAL 34 CO -0.07 0.23 0.04 0.24 0.02 0.00 0.00 177.57 178.03 2ba2 h MET 35 N -0.45 0.79 -0.22 1.57 2.86 -0.75 -1.02 114.93 117.70 2ba2 h MET 35 Ca -0.00 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.33 2ba2 h MET 35 Cb 0.42 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2ba2 h MET 35 CO 0.01 0.77 -0.33 0.93 1.06 0.00 0.00 176.91 179.35 2ba2 h GLU 36 N 0.74 0.46 -0.16 1.72 5.08 -0.74 -2.10 114.58 119.59 2ba2 h GLU 36 Ca 0.15 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 2ba2 h GLU 36 Cb 0.40 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2ba2 h GLU 36 CO 0.01 0.73 -0.45 0.77 -1.00 0.00 0.00 179.01 179.07 2ba2 h SER 37 N 0.40 0.43 -0.42 1.42 0.02 -0.10 -2.39 113.55 112.91 2ba2 h SER 37 Ca 0.05 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 2ba2 h SER 37 Cb 0.77 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2ba2 h SER 37 CO 0.06 0.83 0.01 -0.26 -1.14 0.00 0.00 176.83 176.32 2ba2 h PHE 38 N 0.33 0.87 -0.42 3.45 0.05 -0.84 -1.31 116.94 119.07 2ba2 h PHE 38 Ca 0.02 -0.12 0.00 0.00 3.82 0.00 0.00 57.97 61.69 2ba2 h PHE 38 Cb 0.93 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.62 2ba2 h PHE 38 CO 0.03 0.80 0.27 0.00 -0.18 0.00 0.00 178.31 179.22 2ba2 h ALA 39 N 1.24 0.53 -0.47 2.45 0.00 -1.00 0.55 119.26 122.56 2ba2 h ALA 39 Ca 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ba2 h ALA 39 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2ba2 h ALA 39 CO 0.02 0.01 0.31 0.28 0.00 0.00 0.00 179.25 179.87 2ba2 h VAL 40 N 0.56 1.11 -0.66 0.00 2.07 -1.09 -2.28 116.25 115.96 2ba2 h VAL 40 Ca 0.15 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2ba2 h VAL 40 Cb -0.03 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2ba2 h VAL 40 CO -0.03 0.12 0.31 1.56 0.02 0.00 0.00 177.57 179.54 2ba2 h GLN 41 N 0.63 0.93 -0.88 1.57 1.08 -0.69 -1.48 115.11 116.28 2ba2 h GLN 41 Ca 0.17 -0.13 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2ba2 h GLN 41 Cb -0.07 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.14 2ba2 h GLN 41 CO -0.04 0.73 0.57 -0.91 -0.95 0.00 0.00 178.83 178.23 2ba2 h ASN 42 N 0.93 0.95 -0.43 1.46 2.35 -0.36 0.24 115.58 120.72 2ba2 h ASN 42 Ca 0.23 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 2ba2 h ASN 42 Cb 0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2ba2 h ASN 42 CO -0.03 0.66 0.16 -0.61 -1.65 0.00 0.00 177.43 175.97 2ba2 h GLN 43 N 1.12 0.65 -0.19 0.81 5.75 -0.82 -0.92 115.11 121.50 2ba2 h GLN 43 Ca 0.35 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 2ba2 h GLN 43 Cb -0.01 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2ba2 h GLN 43 CO -0.11 0.61 -0.01 -0.91 -2.65 0.00 0.00 178.83 175.76 2ba2 h ASN 44 N 0.55 0.33 -0.67 -0.69 2.35 -0.60 -1.83 115.58 115.02 2ba2 h ASN 44 Ca 0.14 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.53 2ba2 h ASN 44 Cb 0.21 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2ba2 h ASN 44 CO -0.01 0.57 0.22 0.40 -1.65 0.00 0.00 177.43 176.96 2ba2 h ILE 45 N 0.09 1.25 -0.31 2.81 2.04 -0.51 -2.20 117.51 120.67 2ba2 h ILE 45 Ca 0.05 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 2ba2 h ILE 45 Cb 0.40 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2ba2 h ILE 45 CO 0.01 0.33 -0.26 -0.78 0.00 0.00 0.00 178.15 177.45 2ba2 h ASP 46 N 0.97 0.64 -0.63 1.72 1.82 -1.16 -0.86 116.42 118.92 2ba2 h ASP 46 Ca 0.22 -0.23 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 2ba2 h ASP 46 Cb 0.28 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 2ba2 h ASP 46 CO -0.01 0.87 0.29 0.00 -1.61 0.00 0.00 179.24 178.78 2ba2 h ALA 47 N 1.17 0.81 -0.13 -0.78 0.00 -1.07 -1.04 119.26 118.23 2ba2 h ALA 47 Ca 0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2ba2 h ALA 47 Cb 0.73 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ba2 h ALA 47 CO 0.06 0.39 -0.46 1.96 0.00 0.00 0.00 179.25 181.20 2ba2 h GLN 48 N 0.87 0.31 -0.87 0.00 4.20 -1.18 -1.60 115.11 116.84 2ba2 h GLN 48 Ca 0.21 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2ba2 h GLN 48 Cb 0.14 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 2ba2 h GLN 48 CO -0.02 0.71 0.56 0.78 -0.67 0.00 0.00 178.83 180.19 2ba2 h GLY 49 N 1.24 1.23 1.47 3.46 0.00 -0.33 0.50 103.07 110.64 2ba2 h GLY 49 Ca 0.02 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 2ba2 h GLY 49 CO 0.07 0.46 -0.51 -2.09 0.00 0.00 0.00 176.54 174.48 2ba2 h GLU 50 N 1.18 0.56 -0.34 4.80 4.81 -0.89 -1.67 114.58 123.04 2ba2 h GLU 50 Ca 0.32 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2ba2 h GLU 50 Cb -0.11 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2ba2 h GLU 50 CO -0.07 0.94 -0.25 1.96 -0.73 0.00 0.00 179.01 180.86 2ba2 h GLN 51 N 0.44 0.67 -0.40 1.92 4.20 -0.54 -2.14 115.11 119.27 2ba2 h GLN 51 Ca 0.02 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.38 2ba2 h GLN 51 Cb 1.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2ba2 h GLN 51 CO 0.10 0.86 -0.04 0.82 -0.67 0.00 0.00 178.83 179.89 2ba2 h ILE 52 N 0.58 1.27 -0.86 2.54 2.04 -0.71 -1.99 117.51 120.38 2ba2 h ILE 52 Ca 0.08 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.87 2ba2 h ILE 52 Cb 0.74 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2ba2 h ILE 52 CO 0.06 0.37 0.57 0.50 0.00 0.00 0.00 178.15 179.64 2ba2 h LYS 53 N 0.56 1.09 -0.47 2.37 1.63 -1.12 -0.46 116.57 120.18 2ba2 h LYS 53 Ca 0.11 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 2ba2 h LYS 53 Cb 0.54 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2ba2 h LYS 53 CO 0.03 0.72 0.02 0.93 -3.45 0.00 0.00 179.45 177.70 2ba2 h GLU 54 N 1.13 0.76 -0.34 1.90 5.08 -1.20 -1.77 114.58 120.13 2ba2 h GLU 54 Ca 0.33 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2ba2 h GLU 54 Cb -0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2ba2 h GLU 54 CO -0.09 0.76 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.36 2ba2 h LEU 55 N 0.72 0.69 -0.21 1.33 3.38 -0.56 -2.07 115.31 118.59 2ba2 h LEU 55 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2ba2 h LEU 55 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2ba2 h LEU 55 CO 0.01 0.92 0.05 1.56 0.09 0.00 0.00 178.44 181.07 2ba2 h GLN 56 N 0.60 0.34 -0.49 1.13 4.20 -0.73 0.06 115.11 120.22 2ba2 h GLN 56 Ca 0.08 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2ba2 h GLN 56 Cb 0.73 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 2ba2 h GLN 56 CO 0.06 0.46 0.22 0.28 -0.67 0.00 0.00 178.83 179.17 2ba2 h VAL 57 N 0.16 1.20 -0.53 -0.54 2.07 -1.27 -1.18 116.25 116.17 2ba2 h VAL 57 Ca 0.07 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 2ba2 h VAL 57 Cb 0.27 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2ba2 h VAL 57 CO 0.00 0.23 -0.08 -0.33 0.02 0.00 0.00 177.57 177.41 2ba2 h GLU 58 N 0.65 0.97 -0.59 1.57 4.39 -1.29 -0.35 114.58 119.92 2ba2 h GLU 58 Ca 0.17 -0.33 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 2ba2 h GLU 58 Cb 0.16 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2ba2 h GLU 58 CO -0.02 1.00 -0.00 0.37 -1.16 0.00 0.00 179.01 179.20 2ba2 h GLN 59 N 0.87 1.03 -0.37 2.33 4.15 -0.79 -0.06 115.11 122.26 2ba2 h GLN 59 Ca 0.14 -0.32 -0.10 0.00 0.77 0.00 0.00 58.65 59.14 2ba2 h GLN 59 Cb 0.63 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2ba2 h GLN 59 CO 0.04 1.01 -0.16 -0.22 -1.93 0.00 0.00 178.83 177.57 2ba2 h LYS 60 N 0.94 0.75 -0.53 1.69 3.64 -1.07 -0.72 116.57 121.27 2ba2 h LYS 60 Ca 0.17 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2ba2 h LYS 60 Cb 0.55 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2ba2 h LYS 60 CO 0.03 0.93 0.32 0.00 -2.27 0.00 0.00 179.45 178.47 2ba2 h ALA 61 N 0.80 0.68 -0.00 5.00 0.00 -0.79 -1.39 119.26 123.55 2ba2 h ALA 61 Ca 0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2ba2 h ALA 61 Cb 0.69 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2ba2 h ALA 61 CO 0.05 0.15 -0.58 1.96 0.00 0.00 0.00 179.25 180.84 2ba2 h GLN 62 N 0.71 0.01 -0.70 0.00 4.20 -0.97 -2.22 115.11 116.15 2ba2 h GLN 62 Ca 0.19 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 2ba2 h GLN 62 Cb -0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2ba2 h GLN 62 CO -0.04 0.59 0.18 0.78 -0.67 0.00 0.00 178.83 179.67 2ba2 h GLY 63 N 1.72 1.19 1.06 3.46 0.00 -0.61 0.60 103.07 110.48 2ba2 h GLY 63 Ca -0.01 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 2ba2 h GLY 63 CO 0.08 0.68 0.07 0.50 0.00 0.00 0.00 176.54 177.87 2ba2 h LYS 64 N 1.05 1.05 -0.59 4.80 1.57 -1.00 -1.50 116.57 121.95 2ba2 h LYS 64 Ca 0.22 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2ba2 h LYS 64 Cb 0.35 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2ba2 h LYS 64 CO -0.00 0.99 0.29 1.15 -0.57 0.00 0.00 179.45 181.31 2ba2 h THR 65 N 0.95 1.20 -0.79 -0.16 2.02 -0.85 -1.17 112.91 114.11 2ba2 h THR 65 Ca 0.18 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2ba2 h THR 65 Cb 0.47 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2ba2 h THR 65 CO 0.02 0.23 0.51 -0.07 0.37 0.00 0.00 175.52 176.58 2ba2 h LEU 66 N 0.80 0.92 -0.93 2.58 3.38 -0.56 -1.00 115.31 120.50 2ba2 h LEU 66 Ca 0.20 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2ba2 h LEU 66 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2ba2 h LEU 66 CO -0.03 0.68 0.12 1.56 0.09 0.00 0.00 178.44 180.87 2ba2 h GLN 67 N 1.08 0.90 -0.67 1.13 4.20 -0.85 0.59 115.11 121.50 2ba2 h GLN 67 Ca 0.29 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 2ba2 h GLN 67 Cb -0.10 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 2ba2 h GLN 67 CO -0.06 0.82 0.17 -0.07 -0.67 0.00 0.00 178.83 179.02 2ba2 h LEU 68 N 0.86 0.99 -0.17 1.46 3.38 -0.47 -0.64 115.31 120.72 2ba2 h LEU 68 Ca 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2ba2 h LEU 68 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2ba2 h LEU 68 CO 0.00 0.94 0.04 0.40 0.09 0.00 0.00 178.44 179.91 2ba2 h ILE 69 N 1.00 1.21 -0.91 1.22 2.04 -0.59 0.04 117.51 121.53 2ba2 h ILE 69 Ca 0.21 -0.67 0.10 0.00 1.00 0.00 0.00 64.86 65.50 2ba2 h ILE 69 Cb 0.34 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 2ba2 h ILE 69 CO -0.00 0.20 0.58 -0.07 0.00 0.00 0.00 178.15 178.87 2ba2 h LEU 70 N 0.07 0.81 -0.37 1.44 4.07 -0.51 0.16 115.31 120.99 2ba2 h LEU 70 Ca 0.05 0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.90 2ba2 h LEU 70 Cb 0.28 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2ba2 h LEU 70 CO 0.00 0.47 -0.29 -0.33 -1.08 0.00 0.00 178.44 177.21 2ba2 h GLU 71 N 0.89 0.85 -0.13 1.13 4.39 -0.75 -2.89 114.58 118.07 2ba2 h GLU 71 Ca 0.42 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ba2 h GLU 71 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2ba2 h GLU 71 CO -0.19 1.06 0.07 0.00 -1.16 0.00 0.00 179.01 178.80 2ba2 h ALA 72 N 0.77 0.16 -0.80 3.43 0.00 0.65 -2.73 119.26 120.74 2ba2 h ALA 72 Ca 0.07 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2ba2 h ALA 72 Cb 0.87 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2ba2 h ALA 72 CO 0.08 -0.30 0.52 -0.07 0.00 0.00 0.00 179.25 179.48 2ba2 h LEU 73 N 0.11 0.60 -0.39 0.00 3.38 -0.74 -0.96 115.31 117.31 2ba2 h LEU 73 Ca 0.04 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2ba2 h LEU 73 Cb 0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2ba2 h LEU 73 CO -0.01 0.34 -0.43 -0.61 0.09 0.00 0.00 178.44 177.82 2ba2 h GLN 74 N 0.66 0.90 -0.35 1.13 5.75 -1.29 -0.98 115.11 120.93 2ba2 h GLN 74 Ca 0.38 -0.50 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 2ba2 h GLN 74 Cb 0.58 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2ba2 h GLN 74 CO -0.15 1.15 -0.08 0.78 -2.65 0.00 0.00 178.83 177.88 2ba2 h GLY 75 N 0.78 0.63 0.61 2.39 0.00 -1.02 -1.83 103.07 104.64 2ba2 h GLY 75 Ca 0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2ba2 h GLY 75 CO 0.10 0.40 -0.02 -2.22 0.00 0.00 0.00 176.54 174.80 2ba2 h ILE 76 N 0.55 1.23 -0.73 2.60 2.04 -1.03 -2.25 117.51 119.91 2ba2 h ILE 76 Ca 0.10 -0.88 0.12 0.00 1.00 0.00 0.00 64.86 65.21 2ba2 h ILE 76 Cb 0.47 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2ba2 h ILE 76 CO 0.03 0.22 0.49 0.78 0.00 0.00 0.00 178.15 179.66 2ba2 h ASN 77 N -0.44 0.48 -0.09 1.72 -0.26 -1.00 0.08 115.58 116.07 2ba2 h ASN 77 Ca -0.01 0.02 -0.19 0.00 -0.56 0.00 0.00 56.30 55.57 2ba2 h ASN 77 Cb 0.40 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.58 2ba2 h ASN 77 CO 0.01 0.27 -0.62 0.11 -1.06 0.00 0.00 177.43 176.14 2ba2 h LYS 78 N 0.52 0.70 0.00 0.81 1.57 -1.24 -0.67 116.57 118.26 2ba2 h LYS 78 Ca 0.35 -0.48 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 2ba2 h LYS 78 Cb 0.64 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2ba2 h LYS 78 CO -0.12 1.10 -0.30 0.00 -0.57 0.00 0.00 179.45 179.57 2ba2 h ARG 79 N 0.52 0.00 0.11 3.15 3.08 -0.44 -1.51 114.38 119.29 2ba2 h ARG 79 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 2ba2 h ARG 79 Cb 1.21 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.27 2ba2 h ARG 79 CO 0.12 0.30 -1.20 -0.07 -1.07 0.00 0.00 179.97 178.05 2ba2 h LEU 80 N 0.00 0.63 -0.62 3.04 3.38 -0.87 -2.53 115.31 118.33 2ba2 h LEU 80 Ca -0.00 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.32 2ba2 h LEU 80 Cb 0.60 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2ba2 h LEU 80 CO 0.04 1.44 0.24 0.44 0.09 0.00 0.00 178.44 180.68 2ba2 h ASP 81 N 0.18 0.87 -0.75 -0.43 3.32 -0.71 0.39 116.42 119.29 2ba2 h ASP 81 Ca -0.15 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 2ba2 h ASP 81 Cb 1.89 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 41.18 2ba2 h ASP 81 CO 0.21 0.82 0.25 -1.13 -1.72 0.00 0.00 179.24 177.68 2ba2 h ASN 82 N 0.88 1.08 -0.12 6.45 -0.73 -1.32 -0.30 115.58 121.51 2ba2 h ASN 82 Ca 0.21 -0.20 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 2ba2 h ASN 82 Cb 0.23 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 2ba2 h ASN 82 CO -0.01 0.99 -0.29 -0.07 -0.37 0.00 0.00 177.43 177.67 2ba2 h LEU 83 N 1.11 0.62 -0.84 0.34 3.38 -0.99 -2.33 115.31 116.58 2ba2 h LEU 83 Ca 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ba2 h LEU 83 Cb 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2ba2 h LEU 83 CO -0.01 0.88 0.00 -0.62 0.09 0.00 0.00 178.44 178.78 2ba2 n GLU 84 N -4.09 1.56 -0.92 1.13 1.02 0.09 -5.09 120.64 114.33 2ba2 n GLU 84 Ca -0.01 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 2ba2 n GLU 84 Cb 0.45 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 2ba2 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76