#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b89 n ASP 2 N 0.00 -1.88 -4.06 -1.34 5.75 -1.26 -5.16 116.55 108.60 2b89 n ASP 2 Ca 0.00 0.42 -0.10 0.00 -0.01 0.00 0.00 54.79 55.10 2b89 n ASP 2 Cb 0.00 2.01 -0.07 0.00 -1.03 0.00 0.00 41.12 42.02 2b89 n ASP 2 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2b89 s ASN 3 N -2.00 0.04 0.00 -1.12 0.01 -1.26 -5.02 114.94 105.59 2b89 s ASN 3 Ca 0.00 -1.08 0.26 0.00 -0.71 0.00 0.00 52.86 51.33 2b89 s ASN 3 Cb 0.00 0.47 1.56 0.00 0.41 0.00 0.00 41.25 43.68 2b89 s ASN 3 CO 0.00 -0.96 2.00 0.29 -1.51 0.00 0.00 177.10 176.92 2b89 n LYS 4 N -0.29 1.00 0.14 -0.60 5.02 -1.26 -3.97 118.16 118.20 2b89 n LYS 4 Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 2b89 n LYS 4 Cb 0.64 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 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 0.00 -0.90 -0.42 2.13 -1.00 -1.97 -1.01 116.94 113.77 2b89 h PHE 5 Ca 0.00 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.86 2b89 h PHE 5 Cb 0.00 0.37 -0.06 0.00 3.61 0.00 0.00 35.95 39.88 2b89 h PHE 5 CO 0.00 -0.45 0.09 -0.91 -1.61 0.00 0.00 178.31 175.43 2b89 h ASN 6 N -0.59 0.02 -0.69 2.17 2.35 -1.97 1.14 115.58 118.01 2b89 h ASN 6 Ca 0.02 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2b89 h ASN 6 Cb 0.60 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 2b89 h ASN 6 CO -0.16 0.04 0.43 0.50 -1.65 0.00 0.00 177.43 176.59 2b89 h LYS 7 N 0.22 0.93 -0.30 0.81 1.63 -1.78 1.15 116.57 119.23 2b89 h LYS 7 Ca 0.20 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.81 2b89 h LYS 7 Cb 0.24 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2b89 h LYS 7 CO -0.26 0.65 -0.30 1.49 -3.45 0.00 0.00 179.45 177.58 2b89 h GLU 8 N 0.94 0.62 -0.06 1.90 4.57 -0.28 -2.94 114.58 119.32 2b89 h GLU 8 Ca 0.25 -0.27 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 2b89 h GLU 8 Cb -0.05 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2b89 h GLU 8 CO -0.05 0.85 -0.71 0.00 -1.18 0.00 0.00 179.01 177.92 2b89 h ARG 9 N 0.54 0.31 -0.11 1.92 3.08 0.23 -1.14 114.38 119.21 2b89 h ARG 9 Ca 0.07 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2b89 h ARG 9 Cb 0.78 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 2b89 h ARG 9 CO 0.06 0.90 0.04 0.28 -1.07 0.00 0.00 179.97 180.18 2b89 h VAL 10 N 0.22 1.17 -0.15 2.04 2.07 0.14 1.81 116.25 123.54 2b89 h VAL 10 Ca -0.02 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2b89 h VAL 10 Cb 1.27 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2b89 h VAL 10 CO 0.12 0.15 0.08 0.40 0.02 0.00 0.00 177.57 178.34 2b89 h ILE 11 N -0.01 1.09 -0.07 4.57 2.04 -1.56 0.62 117.51 124.20 2b89 h ILE 11 Ca 0.03 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2b89 h ILE 11 Cb 0.20 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2b89 h ILE 11 CO -0.00 0.08 -0.13 0.00 0.00 0.00 0.00 178.15 178.10 2b89 h ALA 12 N 0.99 0.11 -0.76 1.87 0.00 -0.98 0.42 119.26 120.91 2b89 h ALA 12 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2b89 h ALA 12 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2b89 h ALA 12 CO -0.01 -0.00 0.42 0.97 0.00 0.00 0.00 179.25 180.63 2b89 h ILE 13 N -0.28 1.22 -0.51 0.00 2.10 0.28 0.69 117.51 121.01 2b89 h ILE 13 Ca 0.00 -0.54 -0.08 0.00 1.08 0.00 0.00 64.86 65.33 2b89 h ILE 13 Cb 0.72 0.19 -0.02 0.00 -1.09 0.00 0.00 36.82 36.61 2b89 h ILE 13 CO 0.03 0.24 0.00 1.23 -1.08 0.00 0.00 178.15 178.58 2b89 h GLY 14 N 1.09 0.93 0.70 8.18 0.00 -0.83 0.89 103.07 114.03 2b89 h GLY 14 Ca 0.27 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2b89 h GLY 14 CO -0.05 0.58 -0.15 0.83 0.00 0.00 0.00 176.54 177.76 2b89 h GLU 15 N 0.80 0.31 -0.31 4.80 4.39 1.00 -2.98 114.58 122.59 2b89 h GLU 15 Ca 0.15 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 2b89 h GLU 15 Cb 0.48 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2b89 h GLU 15 CO 0.02 0.73 -0.50 0.82 -1.16 0.00 0.00 179.01 178.92 2b89 h ILE 16 N -0.10 1.27 0.00 3.13 2.04 0.48 -3.01 117.51 121.32 2b89 h ILE 16 Ca 0.02 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.19 2b89 h ILE 16 Cb 0.69 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2b89 h ILE 16 CO 0.03 0.55 -0.01 0.24 0.00 0.00 0.00 178.15 178.96 2b89 h MET 17 N 0.68 0.00 -0.25 2.37 2.86 0.74 -2.00 114.93 119.32 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 0.12 0.01 -0.39 -0.09 1.06 0.00 0.00 176.91 177.62 2b89 h ARG 18 N 0.00 0.58 -5.58 1.72 2.43 -1.38 -3.44 114.38 108.71 2b89 h ARG 18 Ca -0.00 -0.29 -0.60 0.00 -0.81 0.00 0.00 59.98 58.28 2b89 h ARG 18 Cb 0.28 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 2b89 h ARG 18 CO 0.00 0.87 1.55 1.28 -1.51 0.00 0.00 179.97 182.16 2b89 n LEU 19 N -4.04 1.16 0.03 3.80 4.77 -0.76 -4.82 117.00 117.15 2b89 n LEU 19 Ca -0.02 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2b89 n LEU 19 Cb 0.51 -1.10 0.49 0.00 -2.33 0.00 0.00 43.42 40.99 2b89 n LEU 19 CO 0.45 -0.86 0.88 -0.81 -1.33 0.00 0.00 177.39 175.72 2b89 n PRO 20 N 8.25 0.06 -0.06 3.23 -0.05 -1.26 -4.17 135.00 141.01 2b89 n PRO 20 Ca 0.53 0.14 -0.04 0.00 -0.05 0.00 0.00 63.50 64.08 2b89 n PRO 20 Cb 0.14 -1.59 -0.01 0.00 -0.05 0.00 0.00 33.50 31.99 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 -1.99 3.54 2.35 -1.87 -3.49 115.58 114.12 2b89 h ASN 21 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 2b89 h ASN 21 Cb 0.47 0.00 0.18 0.00 0.05 0.00 0.00 38.32 39.02 2b89 h ASN 21 CO 0.00 0.64 -1.17 0.18 -1.65 0.00 0.00 177.43 175.43 2b89 n LEU 22 N -4.30 -3.73 -4.87 1.61 4.77 -1.26 -4.16 117.00 105.06 2b89 n LEU 22 Ca -0.06 0.64 -0.30 0.00 -0.03 0.00 0.00 56.01 56.26 2b89 n LEU 22 Cb 0.22 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.44 2b89 n LEU 22 CO 0.09 -4.81 0.53 0.54 -1.33 0.00 0.00 177.39 172.41 2b89 s ASN 23 N -1.00 6.48 0.41 -1.43 2.20 -1.26 -4.78 114.94 115.56 2b89 s ASN 23 Ca 0.56 1.25 0.18 0.00 -0.94 0.00 0.00 52.86 53.91 2b89 s ASN 23 Cb -0.48 -2.38 1.10 0.00 -2.00 0.00 0.00 41.25 37.48 2b89 s ASN 23 CO 0.66 -0.52 1.82 0.28 -2.94 0.00 0.00 177.10 176.39 2b89 h SER 24 N 0.85 0.42 -0.19 3.54 0.02 -1.97 0.35 113.55 116.57 2b89 h SER 24 Ca -0.47 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2b89 h SER 24 Cb 1.19 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2b89 h SER 24 CO 0.63 0.13 0.10 -0.07 -1.14 0.00 0.00 176.83 176.48 2b89 h LEU 25 N 0.40 0.24 -0.44 5.07 4.07 -1.96 1.43 115.31 124.12 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 1.34 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 43.00 2b89 h LEU 25 CO -0.22 0.27 0.08 1.56 -1.08 0.00 0.00 178.44 179.05 2b89 h GLN 26 N 0.20 0.73 -0.70 1.13 1.08 -1.27 2.36 115.11 118.64 2b89 h GLN 26 Ca 0.07 -0.19 0.06 0.00 -1.45 0.00 0.00 58.65 57.13 2b89 h GLN 26 Cb 0.09 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 2b89 h GLN 26 CO -0.01 0.75 0.40 0.28 -0.95 0.00 0.00 178.83 179.30 2b89 h VAL 27 N 0.59 0.98 -0.09 -0.54 2.07 -0.04 -0.02 116.25 119.20 2b89 h VAL 27 Ca 0.13 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 2b89 h VAL 27 Cb 0.37 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2b89 h VAL 27 CO 0.01 0.13 -0.69 0.58 0.02 0.00 0.00 177.57 177.62 2b89 h VAL 28 N 0.74 1.37 -0.88 2.57 2.07 0.26 -2.74 116.25 119.64 2b89 h VAL 28 Ca 0.31 -2.07 0.14 0.00 0.82 0.00 0.00 66.70 65.89 2b89 h VAL 28 Cb 0.18 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2b89 h VAL 28 CO -0.18 0.63 0.57 0.00 0.02 0.00 0.00 177.57 178.61 2b89 h ALA 29 N 0.96 1.83 -0.20 1.67 0.00 0.57 0.67 119.26 124.76 2b89 h ALA 29 Ca -0.02 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2b89 h ALA 29 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2b89 h ALA 29 CO 0.12 -0.06 -0.67 0.74 0.00 0.00 0.00 179.25 179.39 2b89 h PHE 30 N 0.70 0.99 -0.95 0.00 0.04 -0.92 0.11 116.94 116.90 2b89 h PHE 30 Ca 0.44 -0.40 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2b89 h PHE 30 Cb 0.69 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.60 2b89 h PHE 30 CO -0.00 1.21 0.61 0.82 -0.60 0.00 0.00 178.31 180.35 2b89 h ILE 31 N 0.55 1.00 -0.36 -0.55 2.04 0.44 0.98 117.51 121.61 2b89 h ILE 31 Ca -0.02 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 2b89 h ILE 31 Cb 1.27 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2b89 h ILE 31 CO 0.14 0.18 -0.28 0.78 0.00 0.00 0.00 178.15 178.97 2b89 h ASN 32 N 1.00 0.77 -0.11 1.72 2.35 -0.06 -2.96 115.58 118.29 2b89 h ASN 32 Ca 0.43 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 2b89 h ASN 32 Cb 0.34 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2b89 h ASN 32 CO -0.19 1.01 -0.18 0.28 -1.65 0.00 0.00 177.43 176.70 2b89 h SER 33 N 0.64 0.50 -0.39 5.81 0.02 0.15 -1.53 113.55 118.75 2b89 h SER 33 Ca 0.08 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2b89 h SER 33 Cb 0.80 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 2b89 h SER 33 CO 0.07 0.69 0.23 -0.07 -1.14 0.00 0.00 176.83 176.61 2b89 h LEU 34 N 0.46 0.37 -0.53 5.07 3.38 -0.89 0.42 115.31 123.58 2b89 h LEU 34 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 2b89 h LEU 34 Cb 0.57 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2b89 h LEU 34 CO 0.04 0.27 -0.62 0.08 0.09 0.00 0.00 178.44 178.30 2b89 h ARG 35 N 0.47 0.41 0.00 1.13 0.11 -1.52 0.73 114.38 115.71 2b89 h ARG 35 Ca 0.16 -0.29 -0.00 0.00 0.10 0.00 0.00 59.98 59.95 2b89 h ARG 35 Cb 0.01 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 2b89 h ARG 35 CO -0.07 0.90 -0.01 -0.44 0.10 0.00 0.00 179.97 180.44 2b89 h ASP 36 N 0.30 0.00 -0.37 0.08 3.32 -0.74 -3.40 116.42 115.61 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 1.16 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.53 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 -5.57 -0.58 0.29 6.45 -1.08 0.14 -5.03 116.67 111.28 2b89 s ASP 37 Ca -0.01 -0.16 0.09 0.00 -0.52 0.00 0.00 52.55 51.96 2b89 s ASP 37 Cb 0.10 0.97 0.42 0.00 -1.46 0.00 0.00 42.92 42.95 2b89 s ASP 37 CO 0.51 -0.08 1.65 -0.65 0.52 0.00 0.00 175.17 177.12 2b89 h PRO 38 N 6.33 0.07 -0.13 4.34 0.11 0.24 -2.51 132.00 140.45 2b89 h PRO 38 Ca -0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2b89 h PRO 38 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2b89 h PRO 38 CO -0.05 0.60 -0.07 0.77 -0.21 0.00 0.00 178.00 179.04 2b89 h SER 39 N 0.05 0.18 -0.41 -2.05 0.02 -1.95 0.07 113.55 109.47 2b89 h SER 39 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2b89 h SER 39 Cb 0.98 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2b89 h SER 39 CO 0.07 0.28 0.00 0.00 -1.14 0.00 0.00 176.83 176.05 2b89 n GLN 40 N -4.35 2.23 -0.12 3.45 1.13 -1.00 -4.16 117.38 114.56 2b89 n GLN 40 Ca -0.01 -1.89 0.14 0.00 -1.94 0.00 0.00 57.00 53.30 2b89 n GLN 40 Cb 0.21 -1.45 0.51 0.00 0.11 0.00 0.00 30.24 29.62 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 3.42 0.36 -0.09 1.08 4.64 -0.55 0.64 113.55 123.04 2b89 h SER 41 Ca 0.00 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 2b89 h SER 41 Cb 0.77 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2b89 h SER 41 CO 0.00 0.20 -0.39 0.00 -0.87 0.00 0.00 176.83 175.77 2b89 h ALA 42 N 1.67 0.83 -0.07 5.18 0.00 -1.75 -2.84 119.26 122.28 2b89 h ALA 42 Ca 0.32 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2b89 h ALA 42 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2b89 h ALA 42 CO -0.09 0.65 -0.72 -0.97 0.00 0.00 0.00 179.25 178.12 2b89 h ASN 43 N 0.51 0.41 -0.64 0.00 -1.24 -0.66 -3.11 115.58 110.86 2b89 h ASN 43 Ca 0.05 -0.27 -0.06 0.00 0.71 0.00 0.00 56.30 56.73 2b89 h ASN 43 Cb 0.90 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.80 2b89 h ASN 43 CO 0.08 1.00 0.16 -0.07 -1.29 0.00 0.00 177.43 177.30 2b89 h LEU 44 N 0.24 0.96 -1.03 0.34 3.38 0.25 0.90 115.31 120.35 2b89 h LEU 44 Ca -0.03 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2b89 h LEU 44 Cb 1.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2b89 h LEU 44 CO 0.12 0.94 -0.43 -0.07 0.09 0.00 0.00 178.44 179.09 2b89 h LEU 45 N 0.94 0.12 -0.63 1.67 -0.00 -1.58 1.51 115.31 117.34 2b89 h LEU 45 Ca 0.20 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.04 2b89 h LEU 45 Cb 0.36 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 40.95 2b89 h LEU 45 CO 0.00 0.54 0.41 0.00 -0.00 0.00 0.00 178.44 179.40 2b89 h ALA 46 N 1.47 0.81 -0.08 1.53 0.00 -1.04 2.65 119.26 124.59 2b89 h ALA 46 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2b89 h ALA 46 Cb 0.80 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2b89 h ALA 46 CO 0.06 0.21 -0.03 0.93 0.00 0.00 0.00 179.25 180.42 2b89 h GLU 47 N 0.84 0.17 -0.34 0.00 5.08 0.17 -0.96 114.58 119.54 2b89 h GLU 47 Ca 0.24 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2b89 h GLU 47 Cb -0.07 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2b89 h GLU 47 CO -0.06 0.52 0.18 0.00 -1.00 0.00 0.00 179.01 178.65 2b89 h ALA 48 N 0.64 0.42 -0.50 3.43 0.00 0.28 1.61 119.26 125.14 2b89 h ALA 48 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2b89 h ALA 48 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2b89 h ALA 48 CO 0.01 -0.18 0.18 0.87 0.00 0.00 0.00 179.25 180.13 2b89 h LYS 49 N 0.37 0.72 -0.20 0.00 1.57 0.46 1.52 116.57 121.02 2b89 h LYS 49 Ca 0.14 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 2b89 h LYS 49 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2b89 h LYS 49 CO -0.08 0.61 -0.48 0.87 -0.57 0.00 0.00 179.45 179.80 2b89 h LYS 50 N 0.71 0.54 -0.26 3.15 1.57 0.31 -1.47 116.57 121.12 2b89 h LYS 50 Ca 0.17 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2b89 h LYS 50 Cb 0.17 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2b89 h LYS 50 CO -0.01 0.90 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.48 2b89 h LEU 51 N 0.43 0.64 -0.26 2.94 -0.00 0.40 0.71 115.31 120.16 2b89 h LEU 51 Ca 0.02 -0.46 0.01 0.00 -0.00 0.00 0.00 57.88 57.46 2b89 h LEU 51 Cb 1.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 2b89 h LEU 51 CO 0.09 0.96 0.14 -1.13 -0.00 0.00 0.00 178.44 178.50 2b89 h ASN 52 N 0.32 0.23 -0.11 -0.43 -1.24 0.22 0.58 115.58 115.15 2b89 h ASN 52 Ca 0.05 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 0.06 0.17 -0.62 0.44 -1.29 0.00 0.00 177.43 176.19 2b89 h ASP 53 N 0.30 0.82 -0.15 1.15 3.32 -1.22 -2.13 116.42 118.51 2b89 h ASP 53 Ca 0.10 -0.47 -0.22 0.00 0.02 0.00 0.00 57.03 56.46 2b89 h ASP 53 Cb 0.01 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.33 2b89 h ASP 53 CO -0.06 1.24 -0.77 0.00 -1.72 0.00 0.00 179.24 177.94 2b89 h ALA 54 N 0.76 0.29 0.02 3.45 0.00 0.92 -3.36 119.26 121.34 2b89 h ALA 54 Ca -0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 2b89 h ALA 54 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2b89 h ALA 54 CO 0.13 0.66 -0.45 1.96 0.00 0.00 0.00 179.25 181.54 2b89 h GLN 55 N 0.50 0.03 -6.74 0.00 4.20 0.05 -3.48 115.11 109.67 2b89 h GLN 55 Ca -0.05 -0.05 -0.53 0.00 0.06 0.00 0.00 58.65 58.07 2b89 h GLN 55 Cb 1.40 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.21 2b89 h GLN 55 CO 0.16 1.03 -0.99 0.00 -0.67 0.00 0.00 178.83 178.35 2b89 n ALA 56 N -2.84 -2.64 -2.17 3.87 0.00 -0.80 -4.74 120.51 111.20 2b89 n ALA 56 Ca -0.17 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.52 2b89 n ALA 56 Cb 0.58 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.47 2b89 n ALA 56 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2b89 s PRO 57 N -6.60 2.80 0.00 0.00 0.02 -1.26 -5.07 135.00 124.88 2b89 s PRO 57 Ca 0.39 -0.62 0.25 0.00 0.02 0.00 0.00 61.00 61.04 2b89 s PRO 57 Cb -0.20 -5.16 1.49 0.00 0.02 0.00 0.00 34.50 30.65 2b89 s PRO 57 CO 0.93 -3.19 1.85 1.63 -0.33 0.00 0.00 177.00 177.89