#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b89 h ASP 2 N 0.00 0.50 -3.11 -1.34 2.03 -2.08 -3.42 116.42 109.00 2b89 h ASP 2 Ca 0.00 -0.04 -0.59 0.00 -0.73 0.00 0.00 57.03 55.67 2b89 h ASP 2 Cb 0.00 -0.13 -0.05 0.00 -0.83 0.00 0.00 39.33 38.32 2b89 h ASP 2 CO 0.00 0.43 -0.13 0.20 -1.03 0.00 0.00 179.24 178.71 2b89 s ASN 3 N -6.68 6.91 0.00 4.15 0.01 -1.26 -4.96 114.94 113.11 2b89 s ASN 3 Ca -0.08 1.09 0.14 0.00 -0.71 0.00 0.00 52.86 53.30 2b89 s ASN 3 Cb 0.17 -2.29 0.74 0.00 0.41 0.00 0.00 41.25 40.27 2b89 s ASN 3 CO 0.74 0.30 1.49 0.29 -1.51 0.00 0.00 177.10 178.42 2b89 n LYS 4 N 1.74 1.19 0.12 -0.60 5.02 -1.26 -4.16 118.16 120.20 2b89 n LYS 4 Ca -0.12 -0.28 -0.14 0.00 -2.02 0.00 0.00 58.31 55.75 2b89 n LYS 4 Cb 0.52 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 2b89 n LYS 4 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2b89 h PHE 5 N 0.54 -0.96 -0.46 2.13 -1.00 -1.94 -1.09 116.94 114.15 2b89 h PHE 5 Ca 0.00 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.87 2b89 h PHE 5 Cb 0.12 0.40 -0.06 0.00 3.61 0.00 0.00 35.95 40.03 2b89 h PHE 5 CO 0.04 -0.46 0.13 -0.91 -1.61 0.00 0.00 178.31 175.50 2b89 h ASN 6 N -0.59 0.09 -0.75 2.17 2.35 -1.97 1.16 115.58 118.05 2b89 h ASN 6 Ca 0.03 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2b89 h ASN 6 Cb 0.61 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 2b89 h ASN 6 CO -0.20 0.08 0.49 0.50 -1.65 0.00 0.00 177.43 176.66 2b89 h LYS 7 N 0.28 0.97 -0.22 0.81 3.11 -1.79 1.07 116.57 120.80 2b89 h LYS 7 Ca 0.22 -0.06 -0.14 0.00 -2.81 0.00 0.00 60.65 57.86 2b89 h LYS 7 Cb 0.26 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.26 2b89 h LYS 7 CO -0.26 0.64 -0.47 1.49 -2.81 0.00 0.00 179.45 178.04 2b89 h GLU 8 N 1.00 0.56 -0.10 1.90 4.57 -0.22 -3.05 114.58 119.24 2b89 h GLU 8 Ca 0.28 -0.31 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 2b89 h GLU 8 Cb -0.08 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2b89 h GLU 8 CO -0.07 0.91 -0.57 0.00 -1.18 0.00 0.00 179.01 178.09 2b89 h ARG 9 N 0.45 0.31 -0.23 1.92 3.08 0.25 -1.03 114.38 119.13 2b89 h ARG 9 Ca 0.03 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2b89 h ARG 9 Cb 0.99 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2b89 h ARG 9 CO 0.09 0.80 0.10 0.28 -1.07 0.00 0.00 179.97 180.17 2b89 h VAL 10 N 0.23 1.15 0.04 2.04 2.07 0.13 1.85 116.25 123.76 2b89 h VAL 10 Ca -0.00 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2b89 h VAL 10 Cb 1.07 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2b89 h VAL 10 CO 0.09 0.15 -0.02 0.40 0.02 0.00 0.00 177.57 178.21 2b89 h ILE 11 N 0.23 1.07 -0.12 4.57 2.04 -1.52 -0.22 117.51 123.56 2b89 h ILE 11 Ca 0.08 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 2b89 h ILE 11 Cb 0.14 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2b89 h ILE 11 CO -0.01 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 178.16 2b89 h ALA 12 N 0.77 0.16 -0.73 1.87 0.00 -0.92 0.65 119.26 121.06 2b89 h ALA 12 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2b89 h ALA 12 Cb 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2b89 h ALA 12 CO 0.01 -0.04 0.44 0.97 0.00 0.00 0.00 179.25 180.63 2b89 h ILE 13 N -0.11 1.20 -0.49 0.00 2.10 0.28 0.66 117.51 121.15 2b89 h ILE 13 Ca 0.02 -0.45 -0.07 0.00 1.08 0.00 0.00 64.86 65.45 2b89 h ILE 13 Cb 0.54 0.17 -0.02 0.00 -1.09 0.00 0.00 36.82 36.42 2b89 h ILE 13 CO 0.02 0.21 0.03 1.23 -1.08 0.00 0.00 178.15 178.56 2b89 h GLY 14 N 1.04 0.87 0.65 8.18 0.00 -0.87 0.85 103.07 113.78 2b89 h GLY 14 Ca 0.26 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 2b89 h GLY 14 CO -0.05 0.52 -0.22 0.83 0.00 0.00 0.00 176.54 177.62 2b89 h GLU 15 N 0.76 0.29 -0.28 4.80 4.39 0.15 -3.05 114.58 121.63 2b89 h GLU 15 Ca 0.15 -0.20 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 2b89 h GLU 15 Cb 0.42 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2b89 h GLU 15 CO 0.02 0.82 -0.52 0.82 -1.16 0.00 0.00 179.01 178.99 2b89 h ILE 16 N -0.20 1.28 0.00 3.13 2.04 0.39 -2.98 117.51 121.18 2b89 h ILE 16 Ca -0.01 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 2b89 h ILE 16 Cb 0.84 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2b89 h ILE 16 CO 0.05 0.56 -0.01 0.24 0.00 0.00 0.00 178.15 178.99 2b89 h MET 17 N 0.62 0.00 -0.16 2.37 2.86 0.63 -2.11 114.93 119.15 2b89 h MET 17 Ca 0.02 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 2b89 h MET 17 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2b89 h MET 17 CO 0.11 0.01 -0.48 -0.09 1.06 0.00 0.00 176.91 177.52 2b89 h ARG 18 N 0.00 0.40 -5.74 1.72 2.43 -1.40 -3.44 114.38 108.35 2b89 h ARG 18 Ca -0.00 -0.23 -0.65 0.00 -0.81 0.00 0.00 59.98 58.29 2b89 h ARG 18 Cb 0.32 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 2b89 h ARG 18 CO 0.00 0.80 1.48 1.28 -1.51 0.00 0.00 179.97 182.02 2b89 n LEU 19 N -3.98 1.24 0.10 3.80 4.77 -0.80 -4.82 117.00 117.31 2b89 n LEU 19 Ca -0.02 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2b89 n LEU 19 Cb 0.55 -1.08 0.45 0.00 -2.33 0.00 0.00 43.42 41.01 2b89 n LEU 19 CO 0.44 -0.81 0.87 -0.81 -1.33 0.00 0.00 177.39 175.75 2b89 n PRO 20 N 8.08 0.19 -0.04 3.23 -0.05 -1.26 -4.25 135.00 140.89 2b89 n PRO 20 Ca 0.51 0.29 -0.03 0.00 -0.05 0.00 0.00 63.50 64.22 2b89 n PRO 20 Cb 0.11 -1.78 -0.01 0.00 -0.05 0.00 0.00 33.50 31.78 2b89 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2b89 n ASN 21 N -2.11 1.02 -3.66 3.54 3.02 -1.26 -4.99 115.26 110.81 2b89 n ASN 21 Ca 0.04 0.40 -0.35 0.00 -0.03 0.00 0.00 54.58 54.64 2b89 n ASN 21 Cb 0.31 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2b89 n ASN 21 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2b89 n LEU 22 N -3.57 -2.77 -4.91 3.41 4.77 -1.26 -4.58 117.00 108.10 2b89 n LEU 22 Ca -0.05 0.63 -0.28 0.00 -0.03 0.00 0.00 56.01 56.29 2b89 n LEU 22 Cb 0.18 -0.74 0.02 0.00 -2.33 0.00 0.00 43.42 40.54 2b89 n LEU 22 CO 0.07 -3.83 0.52 0.54 -1.33 0.00 0.00 177.39 173.37 2b89 s ASN 23 N -0.85 5.95 0.39 -1.43 2.20 -1.26 -4.77 114.94 115.17 2b89 s ASN 23 Ca 0.50 0.90 0.16 0.00 -0.94 0.00 0.00 52.86 53.48 2b89 s ASN 23 Cb -0.49 -2.04 1.03 0.00 -2.00 0.00 0.00 41.25 37.76 2b89 s ASN 23 CO 0.55 -0.84 1.81 0.77 -2.94 0.00 0.00 177.10 176.45 2b89 h SER 24 N -0.04 0.49 -0.13 3.54 4.64 -1.97 0.28 113.55 120.36 2b89 h SER 24 Ca -0.46 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2b89 h SER 24 Cb 1.23 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2b89 h SER 24 CO 0.61 0.16 0.07 -0.07 -0.87 0.00 0.00 176.83 176.73 2b89 h LEU 25 N 0.46 0.17 -0.38 5.97 4.07 -1.96 1.60 115.31 125.24 2b89 h LEU 25 Ca 0.53 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.34 2b89 h LEU 25 Cb 1.24 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 2b89 h LEU 25 CO -0.25 0.22 0.04 1.56 -1.08 0.00 0.00 178.44 178.93 2b89 h GLN 26 N 0.10 0.64 -0.76 1.13 4.20 -1.50 2.06 115.11 120.98 2b89 h GLN 26 Ca 0.05 -0.18 0.06 0.00 0.06 0.00 0.00 58.65 58.63 2b89 h GLN 26 Cb 0.09 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 2b89 h GLN 26 CO -0.01 0.71 0.45 0.28 -0.67 0.00 0.00 178.83 179.60 2b89 h VAL 27 N 0.48 1.02 -0.09 -0.54 2.07 -0.19 -0.29 116.25 118.70 2b89 h VAL 27 Ca 0.11 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 2b89 h VAL 27 Cb 0.40 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2b89 h VAL 27 CO 0.01 0.15 -0.69 0.58 0.02 0.00 0.00 177.57 177.64 2b89 h VAL 28 N 0.84 1.37 -0.85 2.57 2.07 0.29 -2.73 116.25 119.81 2b89 h VAL 28 Ca 0.33 -2.07 0.14 0.00 0.82 0.00 0.00 66.70 65.92 2b89 h VAL 28 Cb 0.15 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 2b89 h VAL 28 CO -0.17 0.62 0.55 0.00 0.02 0.00 0.00 177.57 178.60 2b89 h ALA 29 N 0.96 1.90 -0.19 1.67 0.00 0.49 0.71 119.26 124.81 2b89 h ALA 29 Ca -0.02 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2b89 h ALA 29 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2b89 h ALA 29 CO 0.12 -0.12 -0.69 0.74 0.00 0.00 0.00 179.25 179.30 2b89 h PHE 30 N 0.63 0.99 -0.98 0.00 0.04 -0.99 0.11 116.94 116.74 2b89 h PHE 30 Ca 0.42 -0.41 0.08 0.00 2.80 0.00 0.00 57.97 60.86 2b89 h PHE 30 Cb 0.73 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.64 2b89 h PHE 30 CO -0.00 1.22 0.63 0.82 -0.60 0.00 0.00 178.31 180.39 2b89 h ILE 31 N 0.54 1.04 -0.42 -0.55 2.04 0.53 0.75 117.51 121.44 2b89 h ILE 31 Ca -0.03 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 2b89 h ILE 31 Cb 1.30 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2b89 h ILE 31 CO 0.14 0.20 -0.17 0.78 0.00 0.00 0.00 178.15 179.11 2b89 h ASN 32 N 1.10 0.80 -0.05 1.72 2.35 -0.02 -2.85 115.58 118.63 2b89 h ASN 32 Ca 0.44 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 2b89 h ASN 32 Cb 0.26 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2b89 h ASN 32 CO -0.19 0.97 -0.21 0.28 -1.65 0.00 0.00 177.43 176.63 2b89 h SER 33 N 0.71 0.43 -0.35 5.81 0.02 0.14 -1.58 113.55 118.73 2b89 h SER 33 Ca 0.11 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2b89 h SER 33 Cb 0.67 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2b89 h SER 33 CO 0.05 0.65 0.19 -0.07 -1.14 0.00 0.00 176.83 176.51 2b89 h LEU 34 N 0.40 0.30 -0.50 5.07 3.38 -0.82 0.32 115.31 123.45 2b89 h LEU 34 Ca 0.07 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 2b89 h LEU 34 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2b89 h LEU 34 CO 0.04 0.22 -0.64 0.08 0.09 0.00 0.00 178.44 178.23 2b89 h ARG 35 N 0.40 0.43 0.00 1.13 0.11 -1.51 0.53 114.38 115.46 2b89 h ARG 35 Ca 0.14 -0.31 -0.00 0.00 0.10 0.00 0.00 59.98 59.92 2b89 h ARG 35 Cb 0.03 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 2b89 h ARG 35 CO -0.08 0.92 -0.01 -0.44 0.10 0.00 0.00 179.97 180.46 2b89 h ASP 36 N 0.31 0.00 -0.40 0.08 3.32 -0.79 -3.39 116.42 115.54 2b89 h ASP 36 Ca -0.01 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.17 2b89 h ASP 36 Cb 1.18 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.55 2b89 h ASP 36 CO 0.11 0.01 -0.14 -0.62 -1.72 0.00 0.00 179.24 176.88 2b89 s ASP 37 N -5.52 -0.64 0.32 6.45 -1.08 0.11 -5.04 116.67 111.26 2b89 s ASP 37 Ca -0.02 -0.13 0.10 0.00 -0.52 0.00 0.00 52.55 51.99 2b89 s ASP 37 Cb 0.11 1.09 0.52 0.00 -1.46 0.00 0.00 42.92 43.18 2b89 s ASP 37 CO 0.50 -0.09 1.71 -0.65 0.52 0.00 0.00 175.17 177.16 2b89 h PRO 38 N 6.56 0.06 -0.13 4.34 0.11 -0.18 -2.45 132.00 140.32 2b89 h PRO 38 Ca -0.04 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 2b89 h PRO 38 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2b89 h PRO 38 CO -0.04 0.53 -0.07 1.03 -0.21 0.00 0.00 178.00 179.24 2b89 h SER 39 N 0.05 0.17 -0.20 -2.05 0.87 -1.95 0.39 113.55 110.84 2b89 h SER 39 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2b89 h SER 39 Cb 0.86 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2b89 h SER 39 CO 0.06 0.28 0.00 0.00 -0.53 0.00 0.00 176.83 176.64 2b89 n GLN 40 N -4.35 1.80 -0.15 2.24 1.13 -0.94 -4.02 117.38 113.08 2b89 n GLN 40 Ca -0.01 -1.20 0.18 0.00 -1.94 0.00 0.00 57.00 54.02 2b89 n GLN 40 Cb 0.21 -1.40 0.55 0.00 0.11 0.00 0.00 30.24 29.71 2b89 n GLN 40 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2b89 h SER 41 N 2.39 0.31 -0.33 1.08 4.64 -0.67 0.86 113.55 121.83 2b89 h SER 41 Ca 0.00 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 2b89 h SER 41 Cb 0.53 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2b89 h SER 41 CO 0.00 0.15 -0.48 0.00 -0.87 0.00 0.00 176.83 175.63 2b89 h ALA 42 N 1.65 0.50 -0.10 5.18 0.00 -1.76 -3.14 119.26 121.59 2b89 h ALA 42 Ca 0.37 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2b89 h ALA 42 Cb 0.99 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2b89 h ALA 42 CO -0.10 0.67 -0.71 -0.91 0.00 0.00 0.00 179.25 178.20 2b89 h ASN 43 N 0.70 0.53 -0.62 0.00 4.21 -0.69 -3.21 115.58 116.49 2b89 h ASN 43 Ca 0.03 -0.33 -0.06 0.00 1.21 0.00 0.00 56.30 57.15 2b89 h ASN 43 Cb 1.09 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 38.11 2b89 h ASN 43 CO 0.11 1.07 0.16 -0.07 -1.29 0.00 0.00 177.43 177.41 2b89 h LEU 44 N 0.31 0.94 -1.03 1.61 3.38 0.53 0.70 115.31 121.75 2b89 h LEU 44 Ca -0.03 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 2b89 h LEU 44 Cb 1.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2b89 h LEU 44 CO 0.12 0.92 -0.38 -0.07 0.09 0.00 0.00 178.44 179.12 2b89 h LEU 45 N 0.91 0.19 -0.58 1.67 -0.00 -1.64 1.35 115.31 117.21 2b89 h LEU 45 Ca 0.20 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 2b89 h LEU 45 Cb 0.34 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 2b89 h LEU 45 CO 0.00 0.57 0.37 0.00 -0.00 0.00 0.00 178.44 179.38 2b89 h ALA 46 N 1.45 0.74 -0.04 1.53 0.00 -1.25 2.72 119.26 124.40 2b89 h ALA 46 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2b89 h ALA 46 Cb 0.76 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2b89 h ALA 46 CO 0.06 0.19 0.00 0.93 0.00 0.00 0.00 179.25 180.43 2b89 h GLU 47 N 0.78 0.06 -0.44 0.00 5.08 0.13 -0.51 114.58 119.69 2b89 h GLU 47 Ca 0.21 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2b89 h GLU 47 Cb -0.06 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2b89 h GLU 47 CO -0.04 0.33 0.23 0.00 -1.00 0.00 0.00 179.01 178.53 2b89 h ALA 48 N 0.73 0.55 -0.51 3.43 0.00 0.25 1.28 119.26 124.98 2b89 h ALA 48 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2b89 h ALA 48 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2b89 h ALA 48 CO 0.00 -0.11 0.28 0.87 0.00 0.00 0.00 179.25 180.28 2b89 h LYS 49 N 0.46 0.70 -0.35 0.00 1.57 0.49 1.48 116.57 120.92 2b89 h LYS 49 Ca 0.19 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 2b89 h LYS 49 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2b89 h LYS 49 CO -0.12 0.52 -0.39 0.87 -0.57 0.00 0.00 179.45 179.76 2b89 h LYS 50 N 0.71 0.86 -0.29 3.15 6.56 0.82 -0.02 116.57 128.36 2b89 h LYS 50 Ca 0.18 -0.45 -0.07 0.00 -1.06 0.00 0.00 60.65 59.25 2b89 h LYS 50 Cb 0.02 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 2b89 h LYS 50 CO -0.03 1.09 -0.09 -0.07 -2.06 0.00 0.00 179.45 178.30 2b89 h LEU 51 N 0.70 0.58 -0.16 2.94 -0.00 0.34 0.85 115.31 120.55 2b89 h LEU 51 Ca 0.06 -0.37 -0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2b89 h LEU 51 Cb 0.97 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2b89 h LEU 51 CO 0.09 0.82 0.10 -1.13 -0.00 0.00 0.00 178.44 178.32 2b89 h ASN 52 N 0.33 0.20 -0.04 -0.43 -1.24 0.21 0.28 115.58 114.88 2b89 h ASN 52 Ca 0.07 -0.06 -0.17 0.00 0.71 0.00 0.00 56.30 56.85 2b89 h ASN 52 Cb 0.58 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 2b89 h ASN 52 CO 0.03 0.20 -0.58 0.44 -1.29 0.00 0.00 177.43 176.23 2b89 h ASP 53 N 0.18 0.72 -0.14 1.15 3.32 -0.94 -1.59 116.42 119.12 2b89 h ASP 53 Ca 0.06 -0.40 -0.22 0.00 0.02 0.00 0.00 57.03 56.49 2b89 h ASP 53 Cb 0.04 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.39 2b89 h ASP 53 CO -0.01 1.14 -0.78 0.00 -1.72 0.00 0.00 179.24 177.87 2b89 h ALA 54 N 0.87 0.32 0.08 3.45 0.00 0.10 -3.35 119.26 120.72 2b89 h ALA 54 Ca 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 2b89 h ALA 54 Cb 1.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2b89 h ALA 54 CO 0.11 0.69 -1.18 1.96 0.00 0.00 0.00 179.25 180.83 2b89 h GLN 55 N 0.54 0.16 -7.02 0.00 4.20 -0.55 -3.48 115.11 108.97 2b89 h GLN 55 Ca -0.05 -0.28 -0.60 0.00 0.06 0.00 0.00 58.65 57.77 2b89 h GLN 55 Cb 1.41 0.10 -0.21 0.00 0.30 0.00 0.00 27.48 29.08 2b89 h GLN 55 CO 0.16 1.13 -0.95 0.00 -0.67 0.00 0.00 178.83 178.50 2b89 n ALA 56 N -3.00 -1.91 -0.99 3.87 0.00 -0.60 -4.65 120.51 113.23 2b89 n ALA 56 Ca -0.24 -0.37 -0.39 0.00 0.00 0.00 0.00 53.44 52.44 2b89 n ALA 56 Cb 0.80 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 2b89 n ALA 56 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2b89 n PRO 57 N -4.51 0.00 -0.76 0.00 -0.01 -1.26 -5.08 135.00 123.37 2b89 n PRO 57 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.22 2b89 n PRO 57 Cb 0.67 -0.90 0.00 0.00 -0.01 0.00 0.00 33.50 33.26 2b89 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12