#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 -0.04 -2.51 -1.34 5.75 -1.26 -5.08 116.55 112.08 2b89 n ASP 2 Ca 0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 2b89 n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2b89 n ASP 2 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2b89 n ASN 3 N -2.36 -0.95 0.00 -1.12 2.85 -1.26 -4.87 115.26 107.56 2b89 n ASN 3 Ca 0.00 -0.50 0.07 0.00 -0.11 0.00 0.00 54.58 54.04 2b89 n ASN 3 Cb 0.00 0.00 0.42 0.00 1.24 0.00 0.00 39.78 41.44 2b89 n ASN 3 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2b89 n LYS 4 N -1.45 0.92 0.31 1.20 5.02 -1.26 -3.97 118.16 118.92 2b89 n LYS 4 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2b89 n LYS 4 Cb 0.00 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 33.69 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 -0.96 -0.32 2.13 -1.00 -1.98 -1.10 116.94 113.71 2b89 h PHE 5 Ca 0.00 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.80 2b89 h PHE 5 Cb 0.00 0.35 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 2b89 h PHE 5 CO 0.00 -0.54 0.15 -0.91 -1.61 0.00 0.00 178.31 175.40 2b89 h ASN 6 N -0.87 0.20 -0.94 2.17 2.35 -1.95 1.11 115.58 117.66 2b89 h ASN 6 Ca -0.06 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2b89 h ASN 6 Cb 0.72 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.02 2b89 h ASN 6 CO 0.05 0.16 0.62 0.50 -1.65 0.00 0.00 177.43 177.11 2b89 h LYS 7 N 0.31 1.23 -0.11 0.81 1.63 -1.80 1.01 116.57 119.66 2b89 h LYS 7 Ca 0.14 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.69 2b89 h LYS 7 Cb 0.07 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.41 2b89 h LYS 7 CO -0.11 0.82 -0.65 1.49 -3.45 0.00 0.00 179.45 177.55 2b89 h GLU 8 N 1.27 0.41 -0.07 1.90 4.81 -0.60 -3.12 114.58 119.17 2b89 h GLU 8 Ca 0.35 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 2b89 h GLU 8 Cb -0.14 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2b89 h GLU 8 CO -0.08 0.92 -0.65 0.00 -0.73 0.00 0.00 179.01 178.47 2b89 h ARG 9 N 0.29 0.29 -0.22 1.92 3.08 0.23 -1.94 114.38 118.04 2b89 h ARG 9 Ca -0.01 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2b89 h ARG 9 Cb 1.20 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 2b89 h ARG 9 CO 0.11 0.84 0.13 0.28 -1.07 0.00 0.00 179.97 180.26 2b89 h VAL 10 N 0.21 1.10 -0.13 2.04 2.07 0.11 2.13 116.25 123.78 2b89 h VAL 10 Ca -0.01 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2b89 h VAL 10 Cb 1.18 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2b89 h VAL 10 CO 0.10 0.10 0.08 0.40 0.02 0.00 0.00 177.57 178.27 2b89 h ILE 11 N 0.26 1.08 -0.06 4.57 2.04 -1.56 0.55 117.51 124.39 2b89 h ILE 11 Ca 0.08 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2b89 h ILE 11 Cb 0.05 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2b89 h ILE 11 CO -0.01 0.07 -0.15 0.00 0.00 0.00 0.00 178.15 178.06 2b89 h ALA 12 N 0.99 0.09 -0.75 1.87 0.00 -0.95 -0.01 119.26 120.51 2b89 h ALA 12 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2b89 h ALA 12 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2b89 h ALA 12 CO -0.01 0.01 0.42 0.97 0.00 0.00 0.00 179.25 180.64 2b89 h ILE 13 N -0.32 1.22 -0.51 0.00 2.10 0.35 0.69 117.51 121.04 2b89 h ILE 13 Ca -0.00 -0.54 -0.08 0.00 1.08 0.00 0.00 64.86 65.32 2b89 h ILE 13 Cb 0.76 0.20 -0.02 0.00 -1.09 0.00 0.00 36.82 36.67 2b89 h ILE 13 CO 0.03 0.24 -0.00 1.23 -1.08 0.00 0.00 178.15 178.57 2b89 h GLY 14 N 1.08 0.92 0.71 8.18 0.00 -0.86 1.01 103.07 114.11 2b89 h GLY 14 Ca 0.27 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2b89 h GLY 14 CO -0.04 0.58 -0.13 0.83 0.00 0.00 0.00 176.54 177.77 2b89 h GLU 15 N 0.79 0.31 -0.31 4.80 4.39 0.10 -2.95 114.58 121.72 2b89 h GLU 15 Ca 0.15 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.51 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 0.72 -0.50 0.82 -1.16 0.00 0.00 179.01 178.91 2b89 h ILE 16 N -0.08 1.28 0.00 3.13 2.04 0.51 -3.03 117.51 121.35 2b89 h ILE 16 Ca 0.02 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 2b89 h ILE 16 Cb 0.66 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 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 0.67 0.00 -0.22 2.37 2.86 0.98 -2.05 114.93 119.54 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 32.75 2b89 h MET 17 CO 0.11 0.01 -0.41 -0.09 1.06 0.00 0.00 176.91 177.60 2b89 h ARG 18 N 0.00 0.52 -5.73 1.72 2.43 -1.39 -3.44 114.38 108.49 2b89 h ARG 18 Ca -0.00 -0.26 -0.65 0.00 -0.81 0.00 0.00 59.98 58.25 2b89 h ARG 18 Cb 0.29 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2b89 h ARG 18 CO 0.00 0.84 1.48 1.28 -1.51 0.00 0.00 179.97 182.06 2b89 n LEU 19 N -4.02 1.17 0.10 3.80 4.77 -0.77 -4.82 117.00 117.23 2b89 n LEU 19 Ca -0.02 0.39 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 2b89 n LEU 19 Cb 0.51 -1.07 0.45 0.00 -2.33 0.00 0.00 43.42 40.99 2b89 n LEU 19 CO 0.45 -0.81 0.87 -0.81 -1.33 0.00 0.00 177.39 175.76 2b89 n PRO 20 N 8.06 0.20 -0.10 3.23 -0.05 -1.26 -4.14 135.00 140.94 2b89 n PRO 20 Ca 0.52 0.29 -0.15 0.00 -0.05 0.00 0.00 63.50 64.11 2b89 n PRO 20 Cb 0.10 -1.79 -0.07 0.00 -0.05 0.00 0.00 33.50 31.70 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 -2.15 1.87 -4.39 3.54 3.02 -1.26 -4.98 115.26 110.91 2b89 n ASN 21 Ca 0.04 0.47 -0.38 0.00 -0.03 0.00 0.00 54.58 54.68 2b89 n ASN 21 Cb 0.32 -0.88 0.03 0.00 -0.61 0.00 0.00 39.78 38.64 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 -4.47 -0.85 -4.90 3.41 4.77 -1.26 -4.53 117.00 109.17 2b89 n LEU 22 Ca -0.24 0.70 -0.28 0.00 -0.03 0.00 0.00 56.01 56.16 2b89 n LEU 22 Cb 0.55 -1.05 -0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2b89 n LEU 22 CO 0.14 -3.69 0.49 0.54 -1.33 0.00 0.00 177.39 173.53 2b89 s ASN 23 N -1.11 6.27 0.40 -1.43 2.20 -1.26 -4.78 114.94 115.23 2b89 s ASN 23 Ca 0.64 1.02 0.17 0.00 -0.94 0.00 0.00 52.86 53.75 2b89 s ASN 23 Cb -0.46 -2.29 1.05 0.00 -2.00 0.00 0.00 41.25 37.55 2b89 s ASN 23 CO 0.59 -0.61 1.82 0.77 -2.94 0.00 0.00 177.10 176.72 2b89 h SER 24 N 0.20 0.47 -0.15 3.54 4.64 -1.97 0.37 113.55 120.65 2b89 h SER 24 Ca -0.46 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2b89 h SER 24 Cb 1.20 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2b89 h SER 24 CO 0.62 0.15 0.07 -0.07 -0.87 0.00 0.00 176.83 176.73 2b89 h LEU 25 N 0.45 0.20 -0.41 5.97 4.07 -1.96 1.43 115.31 125.05 2b89 h LEU 25 Ca 0.53 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.30 2b89 h LEU 25 Cb 1.26 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 2b89 h LEU 25 CO -0.24 0.27 0.06 1.56 -1.08 0.00 0.00 178.44 179.01 2b89 h GLN 26 N 0.11 0.68 -0.71 1.13 1.08 -1.43 2.44 115.11 118.42 2b89 h GLN 26 Ca 0.05 -0.19 0.06 0.00 -1.45 0.00 0.00 58.65 57.12 2b89 h GLN 26 Cb 0.13 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 2b89 h GLN 26 CO -0.01 0.73 0.41 0.28 -0.95 0.00 0.00 178.83 179.29 2b89 h VAL 27 N 0.53 0.99 -0.09 -0.54 2.07 -0.04 -0.03 116.25 119.14 2b89 h VAL 27 Ca 0.12 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 67.21 2b89 h VAL 27 Cb 0.39 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2b89 h VAL 27 CO 0.01 0.14 -0.70 0.58 0.02 0.00 0.00 177.57 177.61 2b89 h VAL 28 N 0.75 1.38 -0.86 2.57 2.07 0.26 -2.74 116.25 119.67 2b89 h VAL 28 Ca 0.31 -2.10 0.14 0.00 0.82 0.00 0.00 66.70 65.87 2b89 h VAL 28 Cb 0.18 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 2b89 h VAL 28 CO -0.18 0.63 0.56 0.00 0.02 0.00 0.00 177.57 178.60 2b89 h ALA 29 N 0.96 1.88 -0.16 1.67 0.00 0.59 0.71 119.26 124.92 2b89 h ALA 29 Ca -0.02 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2b89 h ALA 29 Cb 1.27 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2b89 h ALA 29 CO 0.12 -0.10 -0.73 0.74 0.00 0.00 0.00 179.25 179.27 2b89 h PHE 30 N 0.64 0.98 -1.00 0.00 0.04 -0.95 0.12 116.94 116.77 2b89 h PHE 30 Ca 0.43 -0.42 0.09 0.00 2.80 0.00 0.00 57.97 60.87 2b89 h PHE 30 Cb 0.72 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.64 2b89 h PHE 30 CO -0.00 1.24 0.64 0.82 -0.60 0.00 0.00 178.31 180.40 2b89 h ILE 31 N 0.51 1.02 -0.54 -0.55 2.04 0.50 0.73 117.51 121.22 2b89 h ILE 31 Ca -0.04 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 2b89 h ILE 31 Cb 1.35 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2b89 h ILE 31 CO 0.15 0.20 -0.02 0.78 0.00 0.00 0.00 178.15 179.26 2b89 h ASN 32 N 1.09 0.95 -0.41 1.72 2.35 0.06 -2.88 115.58 118.46 2b89 h ASN 32 Ca 0.46 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2b89 h ASN 32 Cb 0.31 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2b89 h ASN 32 CO -0.21 1.03 0.16 0.28 -1.65 0.00 0.00 177.43 177.04 2b89 h SER 33 N 0.84 0.62 -0.43 5.81 0.02 0.14 -0.42 113.55 120.13 2b89 h SER 33 Ca 0.15 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2b89 h SER 33 Cb 0.56 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2b89 h SER 33 CO 0.03 0.59 0.26 -0.07 -1.14 0.00 0.00 176.83 176.50 2b89 h LEU 34 N 0.67 0.43 -0.60 5.07 3.38 -0.82 0.49 115.31 123.93 2b89 h LEU 34 Ca 0.16 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 2b89 h LEU 34 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2b89 h LEU 34 CO -0.01 0.31 -0.58 0.08 0.09 0.00 0.00 178.44 178.33 2b89 h ARG 35 N 0.53 0.38 0.00 1.13 0.11 -1.41 0.71 114.38 115.82 2b89 h ARG 35 Ca 0.17 -0.25 -0.03 0.00 0.10 0.00 0.00 59.98 59.97 2b89 h ARG 35 Cb -0.01 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 2b89 h ARG 35 CO -0.07 0.85 -0.13 -0.44 0.10 0.00 0.00 179.97 180.28 2b89 h ASP 36 N 0.29 0.00 -0.44 0.08 3.32 -0.50 -3.40 116.42 115.76 2b89 h ASP 36 Ca -0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.16 2b89 h ASP 36 Cb 1.09 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.46 2b89 h ASP 36 CO 0.10 0.13 -0.17 -0.62 -1.72 0.00 0.00 179.24 176.97 2b89 s ASP 37 N -6.02 -0.70 0.28 6.45 -1.08 0.17 -5.04 116.67 110.73 2b89 s ASP 37 Ca -0.01 -0.16 0.07 0.00 -0.52 0.00 0.00 52.55 51.93 2b89 s ASP 37 Cb 0.11 1.13 0.41 0.00 -1.46 0.00 0.00 42.92 43.10 2b89 s ASP 37 CO 0.59 -0.10 1.66 -0.65 0.52 0.00 0.00 175.17 177.19 2b89 h PRO 38 N 6.56 0.18 -0.05 4.34 0.11 0.20 -2.55 132.00 140.79 2b89 h PRO 38 Ca -0.04 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2b89 h PRO 38 Cb 1.20 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2b89 h PRO 38 CO -0.03 0.64 -0.02 1.03 -0.21 0.00 0.00 178.00 179.41 2b89 h SER 39 N 0.15 0.06 -0.29 -2.05 0.87 -1.95 0.26 113.55 110.61 2b89 h SER 39 Ca 0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2b89 h SER 39 Cb 0.92 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2b89 h SER 39 CO 0.07 0.10 0.00 0.00 -0.53 0.00 0.00 176.83 176.47 2b89 n GLN 40 N -4.47 1.89 -0.16 2.24 6.02 -0.98 -4.08 117.38 117.85 2b89 n GLN 40 Ca -0.02 -1.35 0.17 0.00 -0.01 0.00 0.00 57.00 55.78 2b89 n GLN 40 Cb 0.13 -1.37 0.53 0.00 1.02 0.00 0.00 30.24 30.55 2b89 n GLN 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2b89 h SER 41 N 2.48 0.34 -0.44 1.08 4.64 -0.33 0.53 113.55 121.86 2b89 h SER 41 Ca 0.00 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 2b89 h SER 41 Cb 0.55 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2b89 h SER 41 CO 0.00 0.17 -0.19 0.00 -0.87 0.00 0.00 176.83 175.94 2b89 h ALA 42 N 1.65 0.62 -0.10 5.18 0.00 -1.76 -3.00 119.26 121.84 2b89 h ALA 42 Ca 0.37 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2b89 h ALA 42 Cb 0.93 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2b89 h ALA 42 CO -0.11 0.57 -0.67 -0.91 0.00 0.00 0.00 179.25 178.13 2b89 h ASN 43 N 0.74 0.50 -0.60 0.00 2.35 -0.88 -3.16 115.58 114.52 2b89 h ASN 43 Ca 0.10 -0.31 -0.06 0.00 -0.55 0.00 0.00 56.30 55.48 2b89 h ASN 43 Cb 0.75 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 2b89 h ASN 43 CO 0.06 1.03 0.13 -0.07 -1.65 0.00 0.00 177.43 176.93 2b89 h LEU 44 N 0.31 0.92 -1.02 1.61 3.38 -0.04 0.73 115.31 121.21 2b89 h LEU 44 Ca -0.02 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2b89 h LEU 44 Cb 1.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2b89 h LEU 44 CO 0.12 0.93 -0.40 -0.07 0.09 0.00 0.00 178.44 179.10 2b89 h LEU 45 N 0.88 0.18 -0.58 1.67 -0.00 -1.61 1.33 115.31 117.17 2b89 h LEU 45 Ca 0.19 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 2b89 h LEU 45 Cb 0.38 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 2b89 h LEU 45 CO 0.01 0.57 0.38 0.00 -0.00 0.00 0.00 178.44 179.40 2b89 h ALA 46 N 1.44 0.74 -0.05 1.53 0.00 -1.22 2.77 119.26 124.47 2b89 h ALA 46 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2b89 h ALA 46 Cb 0.78 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2b89 h ALA 46 CO 0.06 0.18 0.00 0.93 0.00 0.00 0.00 179.25 180.43 2b89 h GLU 47 N 0.79 0.08 -0.37 0.00 5.08 0.14 -0.51 114.58 119.79 2b89 h GLU 47 Ca 0.21 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2b89 h GLU 47 Cb -0.08 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2b89 h GLU 47 CO -0.05 0.36 0.18 0.00 -1.00 0.00 0.00 179.01 178.50 2b89 h ALA 48 N 0.73 0.46 -0.48 3.43 0.00 0.24 1.41 119.26 125.05 2b89 h ALA 48 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2b89 h ALA 48 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2b89 h ALA 48 CO 0.00 -0.18 0.21 0.87 0.00 0.00 0.00 179.25 180.15 2b89 h LYS 49 N 0.38 0.67 -0.25 0.00 1.57 0.50 1.53 116.57 120.96 2b89 h LYS 49 Ca 0.16 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 2b89 h LYS 49 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2b89 h LYS 49 CO -0.11 0.54 -0.49 0.87 -0.57 0.00 0.00 179.45 179.69 2b89 h LYS 50 N 0.67 0.68 -0.29 3.15 6.56 0.67 -1.69 116.57 126.33 2b89 h LYS 50 Ca 0.17 -0.39 -0.07 0.00 -1.06 0.00 0.00 60.65 59.29 2b89 h LYS 50 Cb 0.11 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 2b89 h LYS 50 CO -0.02 1.01 -0.10 -0.07 -2.06 0.00 0.00 179.45 178.21 2b89 h LEU 51 N 0.54 0.58 -0.23 2.94 -0.00 0.36 0.83 115.31 120.34 2b89 h LEU 51 Ca 0.03 -0.39 0.01 0.00 -0.00 0.00 0.00 57.88 57.53 2b89 h LEU 51 Cb 1.04 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 2b89 h LEU 51 CO 0.10 0.84 0.13 -1.13 -0.00 0.00 0.00 178.44 178.37 2b89 h ASN 52 N 0.32 0.20 -0.13 -0.43 -1.24 0.21 0.56 115.58 115.08 2b89 h ASN 52 Ca 0.07 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.90 2b89 h ASN 52 Cb 0.60 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.61 2b89 h ASN 52 CO 0.03 0.15 -0.58 0.44 -1.29 0.00 0.00 177.43 176.19 2b89 h ASP 53 N 0.26 0.81 -0.15 1.15 3.32 -1.24 -2.45 116.42 118.13 2b89 h ASP 53 Ca 0.09 -0.45 -0.22 0.00 0.02 0.00 0.00 57.03 56.47 2b89 h ASP 53 Cb 0.00 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.33 2b89 h ASP 53 CO -0.05 1.21 -0.77 0.00 -1.72 0.00 0.00 179.24 177.92 2b89 h ALA 54 N 0.80 0.29 0.03 3.45 0.00 0.12 -3.34 119.26 120.61 2b89 h ALA 54 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2b89 h ALA 54 Cb 1.16 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2b89 h ALA 54 CO 0.12 0.66 -0.23 1.96 0.00 0.00 0.00 179.25 181.75 2b89 h GLN 55 N 0.51 0.10 -6.91 0.00 4.20 0.00 -3.48 115.11 109.54 2b89 h GLN 55 Ca -0.05 -0.15 -0.46 0.00 0.06 0.00 0.00 58.65 58.05 2b89 h GLN 55 Cb 1.40 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 29.17 2b89 h GLN 55 CO 0.16 1.02 -0.75 0.00 -0.67 0.00 0.00 178.83 178.60 2b89 n ALA 56 N -2.60 -2.05 -0.95 3.87 0.00 -0.92 -4.40 120.51 113.46 2b89 n ALA 56 Ca -0.11 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.62 2b89 n ALA 56 Cb 0.56 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.91 0.00 0.00 0.00 -0.01 -1.26 -5.13 135.00 124.69 2b89 n PRO 57 Ca -0.14 0.00 0.15 0.00 -0.01 0.00 0.00 63.50 63.50 2b89 n PRO 57 Cb 0.45 -1.00 0.79 0.00 -0.01 0.00 0.00 33.50 33.73 2b89 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12