#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b89 s ASP 2 N 0.00 7.05 0.11 -1.34 2.15 -1.26 -5.02 116.67 118.36 2b89 s ASP 2 Ca 0.00 1.83 0.01 0.00 0.43 0.00 0.00 52.55 54.82 2b89 s ASP 2 Cb 0.00 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 2b89 s ASP 2 CO 0.00 -0.58 -0.04 0.21 -0.17 0.00 0.00 175.17 174.59 2b89 s ASN 3 N 1.46 1.04 0.00 -0.34 3.84 -1.26 -5.03 114.94 114.66 2b89 s ASN 3 Ca 0.56 -1.06 0.16 0.00 0.21 0.00 0.00 52.86 52.73 2b89 s ASN 3 Cb -0.25 0.12 0.71 0.00 -0.55 0.00 0.00 41.25 41.28 2b89 s ASN 3 CO 0.22 -0.52 1.49 0.29 -2.79 0.00 0.00 177.10 175.79 2b89 n LYS 4 N -0.08 1.38 0.12 0.43 4.76 -1.26 -4.22 118.16 119.29 2b89 n LYS 4 Ca -0.11 -0.57 -0.13 0.00 -2.87 0.00 0.00 58.31 54.63 2b89 n LYS 4 Cb 0.62 -1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 32.46 2b89 n LYS 4 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2b89 h PHE 5 N 1.09 -0.89 -0.46 2.13 -1.00 -1.98 -2.34 116.94 113.48 2b89 h PHE 5 Ca 0.00 0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.88 2b89 h PHE 5 Cb 0.24 0.37 -0.07 0.00 3.61 0.00 0.00 35.95 40.11 2b89 h PHE 5 CO 0.07 -0.43 0.08 -0.97 -1.61 0.00 0.00 178.31 175.45 2b89 h ASN 6 N -0.55 -0.02 -0.60 2.17 -0.73 -1.97 1.14 115.58 115.02 2b89 h ASN 6 Ca 0.03 0.08 0.02 0.00 1.87 0.00 0.00 56.30 58.30 2b89 h ASN 6 Cb 0.58 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.26 2b89 h ASN 6 CO -0.19 0.02 0.39 0.50 -0.37 0.00 0.00 177.43 177.78 2b89 h LYS 7 N 0.21 0.75 -0.27 6.67 3.11 -1.83 1.67 116.57 126.88 2b89 h LYS 7 Ca 0.23 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.92 2b89 h LYS 7 Cb 0.30 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 2b89 h LYS 7 CO -0.31 0.50 -0.25 1.49 -2.81 0.00 0.00 179.45 178.07 2b89 h GLU 8 N 0.78 0.53 -0.02 1.90 4.81 -0.73 -2.65 114.58 119.20 2b89 h GLU 8 Ca 0.23 -0.20 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 2b89 h GLU 8 Cb -0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2b89 h GLU 8 CO -0.07 0.74 -0.82 0.00 -0.73 0.00 0.00 179.01 178.13 2b89 h ARG 9 N 0.47 0.25 -0.07 1.92 3.08 0.26 -1.73 114.38 118.56 2b89 h ARG 9 Ca 0.07 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2b89 h ARG 9 Cb 0.68 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2b89 h ARG 9 CO 0.05 0.94 0.02 0.28 -1.07 0.00 0.00 179.97 180.19 2b89 h VAL 10 N 0.15 1.17 -0.14 2.04 2.07 0.27 2.07 116.25 123.88 2b89 h VAL 10 Ca -0.04 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2b89 h VAL 10 Cb 1.42 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2b89 h VAL 10 CO 0.13 0.15 0.09 0.40 0.02 0.00 0.00 177.57 178.36 2b89 h ILE 11 N -0.08 1.06 -0.01 4.57 2.04 -1.54 0.91 117.51 124.45 2b89 h ILE 11 Ca 0.02 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2b89 h ILE 11 Cb 0.22 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2b89 h ILE 11 CO -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 178.15 178.18 2b89 h ALA 12 N 1.02 0.02 -0.76 1.87 0.00 -1.10 -1.41 119.26 118.91 2b89 h ALA 12 Ca 0.05 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2b89 h ALA 12 Cb 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2b89 h ALA 12 CO -0.01 -0.18 0.50 0.97 0.00 0.00 0.00 179.25 180.53 2b89 h ILE 13 N -0.49 1.13 -0.72 0.00 2.10 0.34 0.90 117.51 120.77 2b89 h ILE 13 Ca 0.00 -0.32 -0.04 0.00 1.08 0.00 0.00 64.86 65.58 2b89 h ILE 13 Cb 0.58 0.10 -0.03 0.00 -1.09 0.00 0.00 36.82 36.38 2b89 h ILE 13 CO 0.01 0.17 0.29 1.23 -1.08 0.00 0.00 178.15 178.77 2b89 h GLY 14 N 0.95 1.14 0.85 8.18 0.00 -0.78 0.92 103.07 114.32 2b89 h GLY 14 Ca 0.30 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 2b89 h GLY 14 CO -0.08 0.57 -0.29 0.83 0.00 0.00 0.00 176.54 177.57 2b89 h GLU 15 N 1.04 0.51 -0.24 4.80 4.39 0.75 -2.52 114.58 123.31 2b89 h GLU 15 Ca 0.24 -0.31 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 2b89 h GLU 15 Cb 0.19 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2b89 h GLU 15 CO -0.02 0.91 -0.07 0.82 -1.16 0.00 0.00 179.01 179.49 2b89 h ILE 16 N 0.16 1.29 0.00 3.13 1.08 0.98 -3.04 117.51 121.10 2b89 h ILE 16 Ca 0.01 -1.09 -0.03 0.00 -0.39 0.00 0.00 64.86 63.36 2b89 h ILE 16 Cb 0.87 1.50 -0.00 0.00 -3.07 0.00 0.00 36.82 36.11 2b89 h ILE 16 CO 0.07 0.34 -0.15 0.24 -0.69 0.00 0.00 178.15 177.96 2b89 h MET 17 N 0.22 0.00 -0.28 2.37 2.86 0.78 -2.74 114.93 118.13 2b89 h MET 17 Ca 0.06 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 2b89 h MET 17 Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 2b89 h MET 17 CO 0.03 0.15 -0.15 -0.09 1.06 0.00 0.00 176.91 177.91 2b89 h ARG 18 N 0.00 0.49 -5.79 1.72 2.43 -1.33 -3.43 114.38 108.46 2b89 h ARG 18 Ca -0.00 -0.15 -0.63 0.00 -0.81 0.00 0.00 59.98 58.39 2b89 h ARG 18 Cb 0.51 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2b89 h ARG 18 CO 0.02 0.63 1.48 1.28 -1.51 0.00 0.00 179.97 181.87 2b89 n LEU 19 N -4.19 1.68 0.03 3.80 4.77 -1.04 -4.83 117.00 117.22 2b89 n LEU 19 Ca 0.00 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 2b89 n LEU 19 Cb 0.34 -1.20 0.50 0.00 -2.33 0.00 0.00 43.42 40.73 2b89 n LEU 19 CO 0.41 -0.84 0.89 -0.81 -1.33 0.00 0.00 177.39 175.71 2b89 n PRO 20 N 8.25 0.07 -0.06 3.23 -0.05 -1.26 -4.15 135.00 141.02 2b89 n PRO 20 Ca 0.46 0.13 -0.03 0.00 -0.05 0.00 0.00 63.50 64.01 2b89 n PRO 20 Cb 0.20 -1.59 -0.01 0.00 -0.05 0.00 0.00 33.50 32.05 2b89 n PRO 20 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 2b89 h ASN 21 N 0.00 0.00 -2.37 3.54 2.35 -1.88 -3.49 115.58 113.74 2b89 h ASN 21 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2b89 h ASN 21 Cb 0.49 0.00 0.21 0.00 0.05 0.00 0.00 38.32 39.06 2b89 h ASN 21 CO 0.00 0.64 -1.20 0.18 -1.65 0.00 0.00 177.43 175.40 2b89 n LEU 22 N -4.46 -3.26 -4.92 1.61 4.77 -1.26 -4.17 117.00 105.32 2b89 n LEU 22 Ca -0.05 0.45 -0.26 0.00 -0.03 0.00 0.00 56.01 56.12 2b89 n LEU 22 Cb 0.19 -0.92 -0.01 0.00 -2.33 0.00 0.00 43.42 40.34 2b89 n LEU 22 CO 0.08 -4.78 0.31 0.54 -1.33 0.00 0.00 177.39 172.21 2b89 s ASN 23 N -1.17 6.30 0.40 -1.43 2.20 -1.26 -4.84 114.94 115.15 2b89 s ASN 23 Ca 0.53 0.73 0.17 0.00 -0.94 0.00 0.00 52.86 53.34 2b89 s ASN 23 Cb -0.33 -2.16 1.05 0.00 -2.00 0.00 0.00 41.25 37.81 2b89 s ASN 23 CO 0.70 -0.42 1.83 0.77 -2.94 0.00 0.00 177.10 177.05 2b89 h SER 24 N 0.62 0.46 -0.15 3.54 4.64 -1.97 0.29 113.55 120.98 2b89 h SER 24 Ca -0.48 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2b89 h SER 24 Cb 1.21 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2b89 h SER 24 CO 0.62 0.17 0.07 -0.07 -0.87 0.00 0.00 176.83 176.74 2b89 h LEU 25 N 0.45 0.20 -0.42 5.97 4.07 -1.96 1.43 115.31 125.05 2b89 h LEU 25 Ca 0.50 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 58.28 2b89 h LEU 25 Cb 1.20 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.87 2b89 h LEU 25 CO -0.22 0.29 0.12 1.56 -1.08 0.00 0.00 178.44 179.12 2b89 h GLN 26 N 0.10 0.65 -0.66 1.13 1.08 -1.51 2.47 115.11 118.37 2b89 h GLN 26 Ca 0.05 -0.14 0.06 0.00 -1.45 0.00 0.00 58.65 57.17 2b89 h GLN 26 Cb 0.15 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 2b89 h GLN 26 CO -0.01 0.65 0.36 0.28 -0.95 0.00 0.00 178.83 179.16 2b89 h VAL 27 N 0.53 0.96 -0.08 -0.54 2.07 -0.16 -0.12 116.25 118.92 2b89 h VAL 27 Ca 0.13 -0.23 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 2b89 h VAL 27 Cb 0.27 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2b89 h VAL 27 CO -0.00 0.12 -0.72 0.58 0.02 0.00 0.00 177.57 177.57 2b89 h VAL 28 N 0.67 1.38 -0.92 2.57 2.07 0.26 -2.67 116.25 119.61 2b89 h VAL 28 Ca 0.29 -2.13 0.14 0.00 0.82 0.00 0.00 66.70 65.82 2b89 h VAL 28 Cb 0.18 2.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 2b89 h VAL 28 CO -0.18 0.64 0.59 0.00 0.02 0.00 0.00 177.57 178.64 2b89 h ALA 29 N 0.94 1.75 -0.21 1.67 0.00 0.57 0.56 119.26 124.55 2b89 h ALA 29 Ca -0.03 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2b89 h ALA 29 Cb 1.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2b89 h ALA 29 CO 0.12 0.00 -0.59 0.74 0.00 0.00 0.00 179.25 179.52 2b89 h PHE 30 N 0.77 1.00 -0.97 0.00 0.04 -0.96 0.57 116.94 117.39 2b89 h PHE 30 Ca 0.46 -0.40 0.10 0.00 2.80 0.00 0.00 57.97 60.94 2b89 h PHE 30 Cb 0.67 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.57 2b89 h PHE 30 CO -0.00 1.21 0.62 0.82 -0.60 0.00 0.00 178.31 180.36 2b89 h ILE 31 N 0.51 0.97 -0.48 -0.55 2.04 0.23 0.92 117.51 121.16 2b89 h ILE 31 Ca -0.01 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2b89 h ILE 31 Cb 1.21 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2b89 h ILE 31 CO 0.13 0.18 -0.01 0.78 0.00 0.00 0.00 178.15 179.23 2b89 h ASN 32 N 1.00 0.84 -0.40 1.72 -0.26 0.06 -2.93 115.58 115.60 2b89 h ASN 32 Ca 0.46 -0.31 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 2b89 h ASN 32 Cb 0.40 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2b89 h ASN 32 CO -0.21 0.94 0.04 0.28 -1.06 0.00 0.00 177.43 177.42 2b89 h SER 33 N 0.70 0.72 -0.48 5.81 0.02 0.12 -1.58 113.55 118.86 2b89 h SER 33 Ca 0.13 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2b89 h SER 33 Cb 0.52 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 2b89 h SER 33 CO 0.03 0.76 0.23 -0.07 -1.14 0.00 0.00 176.83 176.64 2b89 h LEU 34 N 0.72 0.31 -0.61 5.07 3.38 -0.73 0.64 115.31 124.10 2b89 h LEU 34 Ca 0.15 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 2b89 h LEU 34 Cb 0.38 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2b89 h LEU 34 CO 0.01 0.22 -0.58 0.08 0.09 0.00 0.00 178.44 178.26 2b89 h ARG 35 N 0.45 0.37 0.00 1.13 0.11 -1.44 0.73 114.38 115.72 2b89 h ARG 35 Ca 0.21 -0.24 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 2b89 h ARG 35 Cb 0.14 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.25 2b89 h ARG 35 CO -0.16 0.84 -0.05 -0.44 0.10 0.00 0.00 179.97 180.26 2b89 h ASP 36 N 0.28 0.00 -0.45 0.08 3.32 -0.46 -3.40 116.42 115.79 2b89 h ASP 36 Ca -0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2b89 h ASP 36 Cb 1.09 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.46 2b89 h ASP 36 CO 0.10 0.05 -0.18 -0.62 -1.72 0.00 0.00 179.24 176.86 2b89 s ASP 37 N -5.76 -0.71 0.23 6.45 -1.08 0.22 -5.04 116.67 110.97 2b89 s ASP 37 Ca 0.00 -0.20 0.02 0.00 -0.52 0.00 0.00 52.55 51.85 2b89 s ASP 37 Cb 0.10 1.09 0.24 0.00 -1.46 0.00 0.00 42.92 42.88 2b89 s ASP 37 CO 0.55 -0.10 1.57 -0.65 0.52 0.00 0.00 175.17 177.06 2b89 h PRO 38 N 6.43 0.37 -0.15 4.34 0.11 0.23 -2.60 132.00 140.73 2b89 h PRO 38 Ca -0.03 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2b89 h PRO 38 Cb 1.21 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2b89 h PRO 38 CO -0.02 0.81 0.10 0.77 -0.21 0.00 0.00 178.00 179.45 2b89 h SER 39 N 0.29 0.16 -0.59 -2.05 0.02 -1.95 0.30 113.55 109.72 2b89 h SER 39 Ca 0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b89 h SER 39 Cb 1.03 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2b89 h SER 39 CO 0.09 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 2b89 n GLN 40 N -4.52 2.77 -0.35 3.45 1.13 -1.03 -4.29 117.38 114.54 2b89 n GLN 40 Ca -0.01 -2.30 0.07 0.00 -1.94 0.00 0.00 57.00 52.82 2b89 n GLN 40 Cb 0.09 -1.60 0.24 0.00 0.11 0.00 0.00 30.24 29.08 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 3.56 0.92 -0.52 1.08 4.64 -0.03 0.78 113.55 123.97 2b89 h SER 41 Ca 0.00 0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 2b89 h SER 41 Cb 0.99 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 2b89 h SER 41 CO 0.08 0.51 0.04 0.00 -0.87 0.00 0.00 176.83 176.59 2b89 h ALA 42 N 1.53 1.00 -0.17 5.18 0.00 -1.76 0.45 119.26 125.49 2b89 h ALA 42 Ca 0.47 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2b89 h ALA 42 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b89 h ALA 42 CO -0.23 0.62 -0.53 -0.97 0.00 0.00 0.00 179.25 178.14 2b89 h ASN 43 N 0.88 0.55 -0.10 0.00 -1.24 -0.91 0.62 115.58 115.39 2b89 h ASN 43 Ca 0.17 -0.29 -0.08 0.00 0.71 0.00 0.00 56.30 56.81 2b89 h ASN 43 Cb 0.47 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2b89 h ASN 43 CO 0.02 0.98 -0.25 -0.07 -1.29 0.00 0.00 177.43 176.82 2b89 h LEU 44 N 0.39 0.39 -1.03 0.34 3.38 0.73 1.45 115.31 120.96 2b89 h LEU 44 Ca 0.01 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 2b89 h LEU 44 Cb 1.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2b89 h LEU 44 CO 0.10 0.90 -0.31 0.17 0.09 0.00 0.00 178.44 179.39 2b89 h LEU 45 N -0.10 0.31 -0.38 1.67 8.10 -0.07 1.57 115.31 126.41 2b89 h LEU 45 Ca -0.00 -0.11 -0.05 0.00 0.11 0.00 0.00 57.88 57.83 2b89 h LEU 45 Cb 0.85 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.97 2b89 h LEU 45 CO 0.05 0.61 0.03 0.00 -4.11 0.00 0.00 178.44 175.03 2b89 h ALA 46 N 1.41 0.51 -0.63 0.17 0.00 0.57 0.50 119.26 121.80 2b89 h ALA 46 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2b89 h ALA 46 Cb 0.69 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2b89 h ALA 46 CO 0.05 0.25 0.30 0.93 0.00 0.00 0.00 179.25 180.78 2b89 h GLU 47 N 0.48 0.90 -0.53 0.00 5.08 0.31 0.15 114.58 120.98 2b89 h GLU 47 Ca 0.11 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2b89 h GLU 47 Cb 0.41 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2b89 h GLU 47 CO 0.01 0.72 0.32 0.00 -1.00 0.00 0.00 179.01 179.07 2b89 h ALA 48 N 1.13 0.67 -0.43 3.43 0.00 0.28 2.07 119.26 126.41 2b89 h ALA 48 Ca 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2b89 h ALA 48 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2b89 h ALA 48 CO -0.03 0.05 0.05 0.87 0.00 0.00 0.00 179.25 180.19 2b89 h LYS 49 N 0.65 0.68 -0.24 0.00 1.57 0.60 1.23 116.57 121.06 2b89 h LYS 49 Ca 0.21 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2b89 h LYS 49 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2b89 h LYS 49 CO -0.08 0.66 -0.44 0.87 -0.57 0.00 0.00 179.45 179.89 2b89 h LYS 50 N 0.65 0.59 -0.22 3.15 1.57 0.12 -1.55 116.57 120.88 2b89 h LYS 50 Ca 0.14 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 2b89 h LYS 50 Cb 0.34 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2b89 h LYS 50 CO 0.01 0.92 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.53 2b89 h LEU 51 N 0.48 0.57 -0.28 2.94 -0.00 0.45 0.67 115.31 120.15 2b89 h LEU 51 Ca 0.03 -0.47 0.01 0.00 -0.00 0.00 0.00 57.88 57.46 2b89 h LEU 51 Cb 0.96 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.44 2b89 h LEU 51 CO 0.09 0.92 0.15 -1.13 -0.00 0.00 0.00 178.44 178.47 2b89 h ASN 52 N 0.23 0.23 -0.11 -0.43 -1.24 0.16 0.56 115.58 114.97 2b89 h ASN 52 Ca 0.04 0.01 -0.19 0.00 0.71 0.00 0.00 56.30 56.87 2b89 h ASN 52 Cb 0.76 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.77 2b89 h ASN 52 CO 0.05 0.17 -0.61 0.44 -1.29 0.00 0.00 177.43 176.19 2b89 h ASP 53 N 0.31 0.82 -0.13 1.15 3.32 -1.25 -2.27 116.42 118.35 2b89 h ASP 53 Ca 0.11 -0.46 -0.22 0.00 0.02 0.00 0.00 57.03 56.47 2b89 h ASP 53 Cb 0.02 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.34 2b89 h ASP 53 CO -0.07 1.23 -0.78 0.00 -1.72 0.00 0.00 179.24 177.91 2b89 h ALA 54 N 0.77 0.27 0.00 3.45 0.00 0.87 -3.36 119.26 121.27 2b89 h ALA 54 Ca -0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 2b89 h ALA 54 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2b89 h ALA 54 CO 0.12 0.65 -0.44 1.96 0.00 0.00 0.00 179.25 181.55 2b89 h GLN 55 N 0.49 0.01 -6.68 0.00 4.20 -0.00 -3.49 115.11 109.64 2b89 h GLN 55 Ca -0.06 -0.01 -0.51 0.00 0.06 0.00 0.00 58.65 58.13 2b89 h GLN 55 Cb 1.42 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.21 2b89 h GLN 55 CO 0.16 1.01 -0.98 0.00 -0.67 0.00 0.00 178.83 178.35 2b89 n ALA 56 N -2.88 -2.65 -0.72 3.87 0.00 -0.85 -4.71 120.51 112.57 2b89 n ALA 56 Ca -0.17 -0.42 -0.14 0.00 0.00 0.00 0.00 53.44 52.70 2b89 n ALA 56 Cb 0.55 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 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 -4.17 1.71 0.00 0.00 -0.02 -1.26 -5.08 135.00 126.18 2b89 n PRO 57 Ca -0.15 -1.00 0.02 0.00 -2.02 0.00 0.00 63.50 60.34 2b89 n PRO 57 Cb 0.60 -2.08 0.11 0.00 -0.02 0.00 0.00 33.50 32.10 2b89 n PRO 57 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11