#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 0.23 1.24 6.55 2.15 -1.26 -5.17 116.67 120.41 2b89 s ASP 2 Ca 0.00 -0.56 -0.20 0.00 0.43 0.00 0.00 52.55 52.21 2b89 s ASP 2 Cb 0.00 0.19 0.30 0.00 -0.30 0.00 0.00 42.92 43.11 2b89 s ASP 2 CO 0.00 -0.45 1.11 0.59 -0.17 0.00 0.00 175.17 176.24 2b89 n ASN 3 N 0.96 -1.99 0.00 -0.34 5.03 -1.26 -4.89 115.26 112.77 2b89 n ASN 3 Ca -0.20 -1.19 0.07 0.00 0.87 0.00 0.00 54.58 54.13 2b89 n ASN 3 Cb 0.58 -1.01 0.41 0.00 -1.02 0.00 0.00 39.78 38.74 2b89 n ASN 3 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2b89 n LYS 4 N -4.80 0.89 0.27 3.52 5.02 -1.26 -3.93 118.16 117.87 2b89 n LYS 4 Ca 0.15 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.28 2b89 n LYS 4 Cb 0.59 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.02 -0.41 2.13 -1.00 -1.97 -1.17 116.94 113.50 2b89 h PHE 5 Ca 0.00 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.83 2b89 h PHE 5 Cb 0.00 0.39 -0.04 0.00 3.61 0.00 0.00 35.95 39.90 2b89 h PHE 5 CO 0.00 -0.54 0.16 -0.91 -1.61 0.00 0.00 178.31 175.41 2b89 h ASN 6 N -0.83 0.19 -0.66 2.17 2.35 -1.96 1.15 115.58 118.00 2b89 h ASN 6 Ca -0.04 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2b89 h ASN 6 Cb 0.72 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.06 2b89 h ASN 6 CO -0.02 0.15 0.41 0.50 -1.65 0.00 0.00 177.43 176.81 2b89 h LYS 7 N 0.33 0.77 -0.16 0.81 3.11 -1.79 1.01 116.57 120.66 2b89 h LYS 7 Ca 0.19 -0.05 -0.16 0.00 -2.81 0.00 0.00 60.65 57.82 2b89 h LYS 7 Cb 0.15 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 2b89 h LYS 7 CO -0.17 0.51 -0.58 1.49 -2.81 0.00 0.00 179.45 177.88 2b89 h GLU 8 N 0.80 0.52 -0.15 1.90 4.57 -0.51 -3.04 114.58 118.66 2b89 h GLU 8 Ca 0.27 -0.34 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 2b89 h GLU 8 Cb 0.03 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2b89 h GLU 8 CO -0.11 0.95 -0.38 0.00 -1.18 0.00 0.00 179.01 178.30 2b89 h ARG 9 N 0.39 0.33 -0.12 1.92 3.08 0.24 -0.13 114.38 120.09 2b89 h ARG 9 Ca -0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2b89 h ARG 9 Cb 1.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 2b89 h ARG 9 CO 0.11 0.67 0.06 0.28 -1.07 0.00 0.00 179.97 180.01 2b89 h VAL 10 N 0.28 1.13 -0.10 2.04 2.07 0.11 1.97 116.25 123.75 2b89 h VAL 10 Ca 0.03 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2b89 h VAL 10 Cb 0.80 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2b89 h VAL 10 CO 0.06 0.11 0.05 0.40 0.02 0.00 0.00 177.57 178.22 2b89 h ILE 11 N 0.07 1.10 -0.07 4.57 2.04 -1.47 0.26 117.51 124.00 2b89 h ILE 11 Ca 0.04 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2b89 h ILE 11 Cb 0.13 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2b89 h ILE 11 CO -0.00 0.09 -0.11 0.00 0.00 0.00 0.00 178.15 178.12 2b89 h ALA 12 N 0.95 0.11 -0.74 1.87 0.00 -0.75 0.11 119.26 120.81 2b89 h ALA 12 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2b89 h ALA 12 Cb 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2b89 h ALA 12 CO -0.01 -0.02 0.38 0.97 0.00 0.00 0.00 179.25 180.58 2b89 h ILE 13 N -0.25 1.23 -0.48 0.00 2.10 0.31 0.77 117.51 121.18 2b89 h ILE 13 Ca 0.01 -0.59 -0.08 0.00 1.08 0.00 0.00 64.86 65.28 2b89 h ILE 13 Cb 0.67 0.25 -0.02 0.00 -1.09 0.00 0.00 36.82 36.63 2b89 h ILE 13 CO 0.03 0.26 -0.02 1.23 -1.08 0.00 0.00 178.15 178.56 2b89 h GLY 14 N 1.08 0.88 0.67 8.18 0.00 -0.89 0.85 103.07 113.85 2b89 h GLY 14 Ca 0.26 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2b89 h GLY 14 CO -0.04 0.57 -0.17 0.83 0.00 0.00 0.00 176.54 177.72 2b89 h GLU 15 N 0.76 0.29 -0.31 4.80 4.39 0.11 -3.08 114.58 121.54 2b89 h GLU 15 Ca 0.14 -0.18 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 2b89 h GLU 15 Cb 0.49 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2b89 h GLU 15 CO 0.02 0.77 -0.51 0.82 -1.16 0.00 0.00 179.01 178.95 2b89 h ILE 16 N -0.16 1.27 0.00 3.13 2.04 0.65 -3.02 117.51 121.43 2b89 h ILE 16 Ca 0.01 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 2b89 h ILE 16 Cb 0.75 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2b89 h ILE 16 CO 0.04 0.56 -0.03 0.24 0.00 0.00 0.00 178.15 178.95 2b89 h MET 17 N 0.69 0.00 -0.25 2.37 2.86 0.64 -1.94 114.93 119.29 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 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2b89 h MET 17 CO 0.12 0.03 -0.40 -0.09 1.06 0.00 0.00 176.91 177.62 2b89 h ARG 18 N 0.00 0.59 -5.48 1.72 2.43 -1.43 -3.44 114.38 108.77 2b89 h ARG 18 Ca -0.00 -0.30 -0.59 0.00 -0.81 0.00 0.00 59.98 58.28 2b89 h ARG 18 Cb 0.26 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 2b89 h ARG 18 CO 0.00 0.89 1.58 1.28 -1.51 0.00 0.00 179.97 182.21 2b89 n LEU 19 N -4.03 0.88 0.19 3.80 4.77 -0.73 -4.82 117.00 117.05 2b89 n LEU 19 Ca -0.02 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.38 2b89 n LEU 19 Cb 0.52 -1.03 0.40 0.00 -2.33 0.00 0.00 43.42 40.98 2b89 n LEU 19 CO 0.45 -0.83 0.88 1.55 -1.33 0.00 0.00 177.39 178.12 2b89 h PRO 20 N 12.02 0.00 0.00 3.23 0.14 -1.89 -3.36 132.00 142.14 2b89 h PRO 20 Ca -0.11 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 66.01 2b89 h PRO 20 Cb 1.34 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.48 2b89 h PRO 20 CO 1.23 0.00 -0.29 -0.91 0.14 0.00 0.00 178.00 178.17 2b89 h ASN 21 N 0.00 0.00 -2.24 1.44 2.35 -1.88 -3.48 115.58 111.77 2b89 h ASN 21 Ca 0.00 -0.08 -0.59 0.00 -0.55 0.00 0.00 56.30 55.08 2b89 h ASN 21 Cb 0.72 0.00 0.19 0.00 0.05 0.00 0.00 38.32 39.28 2b89 h ASN 21 CO 0.00 0.69 -1.06 0.18 -1.65 0.00 0.00 177.43 175.59 2b89 n LEU 22 N -4.68 -2.90 -4.87 1.61 4.77 -1.26 -4.13 117.00 105.53 2b89 n LEU 22 Ca -0.05 0.61 -0.30 0.00 -0.03 0.00 0.00 56.01 56.24 2b89 n LEU 22 Cb 0.18 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 2b89 n LEU 22 CO 0.07 -4.53 0.50 0.54 -1.33 0.00 0.00 177.39 172.64 2b89 s ASN 23 N -1.06 6.49 0.42 -1.43 2.20 -1.26 -4.81 114.94 115.49 2b89 s ASN 23 Ca 0.58 1.20 0.19 0.00 -0.94 0.00 0.00 52.86 53.89 2b89 s ASN 23 Cb -0.44 -2.35 1.12 0.00 -2.00 0.00 0.00 41.25 37.57 2b89 s ASN 23 CO 0.66 -0.48 1.82 0.28 -2.94 0.00 0.00 177.10 176.44 2b89 h SER 24 N 1.01 0.39 -0.20 3.54 0.02 -1.97 0.23 113.55 116.57 2b89 h SER 24 Ca -0.47 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 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 0.12 0.12 -0.07 -1.14 0.00 0.00 176.83 176.49 2b89 h LEU 25 N 0.38 0.25 -0.39 5.07 4.07 -1.96 1.44 115.31 124.16 2b89 h LEU 25 Ca 0.52 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 58.38 2b89 h LEU 25 Cb 1.37 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 2b89 h LEU 25 CO -0.21 0.24 0.09 1.56 -1.08 0.00 0.00 178.44 179.05 2b89 h GLN 26 N 0.23 0.63 -0.72 1.13 1.08 -1.25 2.42 115.11 118.63 2b89 h GLN 26 Ca 0.07 -0.15 0.07 0.00 -1.45 0.00 0.00 58.65 57.19 2b89 h GLN 26 Cb 0.05 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 2b89 h GLN 26 CO -0.01 0.66 0.41 0.28 -0.95 0.00 0.00 178.83 179.21 2b89 h VAL 27 N 0.49 0.96 -0.09 -0.54 2.07 -0.27 0.55 116.25 119.41 2b89 h VAL 27 Ca 0.12 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 67.21 2b89 h VAL 27 Cb 0.32 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2b89 h VAL 27 CO 0.00 0.13 -0.69 0.58 0.02 0.00 0.00 177.57 177.61 2b89 h VAL 28 N 0.73 1.37 -0.95 2.57 2.07 0.26 -2.72 116.25 119.59 2b89 h VAL 28 Ca 0.33 -2.08 0.12 0.00 0.82 0.00 0.00 66.70 65.89 2b89 h VAL 28 Cb 0.23 2.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.98 2b89 h VAL 28 CO -0.20 0.63 0.60 0.00 0.02 0.00 0.00 177.57 178.62 2b89 h ALA 29 N 0.96 1.63 -0.27 1.67 0.00 0.60 0.56 119.26 124.42 2b89 h ALA 29 Ca -0.02 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2b89 h ALA 29 Cb 1.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2b89 h ALA 29 CO 0.12 0.13 -0.47 0.74 0.00 0.00 0.00 179.25 179.77 2b89 h PHE 30 N 0.89 0.86 -0.87 0.00 0.04 -0.82 0.41 116.94 117.45 2b89 h PHE 30 Ca 0.47 -0.28 0.10 0.00 2.80 0.00 0.00 57.97 61.06 2b89 h PHE 30 Cb 0.54 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.45 2b89 h PHE 30 CO -0.00 1.04 0.56 0.82 -0.60 0.00 0.00 178.31 180.13 2b89 h ILE 31 N 0.56 0.96 -0.34 -0.55 2.04 0.31 0.42 117.51 120.93 2b89 h ILE 31 Ca 0.03 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 2b89 h ILE 31 Cb 1.02 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2b89 h ILE 31 CO 0.10 0.15 -0.06 -1.13 0.00 0.00 0.00 178.15 177.21 2b89 h ASN 32 N 0.85 0.63 -0.63 1.72 -0.73 -0.16 -3.06 115.58 114.21 2b89 h ASN 32 Ca 0.40 -0.35 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2b89 h ASN 32 Cb 0.42 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 2b89 h ASN 32 CO -0.17 0.84 0.40 0.28 -0.37 0.00 0.00 177.43 178.41 2b89 h SER 33 N 0.42 0.74 -0.39 1.15 0.02 0.11 0.00 113.55 115.60 2b89 h SER 33 Ca 0.09 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2b89 h SER 33 Cb 0.55 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2b89 h SER 33 CO 0.03 0.55 0.21 -0.07 -1.14 0.00 0.00 176.83 176.41 2b89 h LEU 34 N 0.86 0.33 -0.55 5.07 3.38 -1.05 0.39 115.31 123.75 2b89 h LEU 34 Ca 0.23 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 2b89 h LEU 34 Cb -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2b89 h LEU 34 CO -0.05 0.24 -0.62 0.08 0.09 0.00 0.00 178.44 178.18 2b89 h ARG 35 N 0.43 0.38 0.00 1.13 0.11 -1.45 0.28 114.38 115.27 2b89 h ARG 35 Ca 0.16 -0.27 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2b89 h ARG 35 Cb 0.04 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 2b89 h ARG 35 CO -0.09 0.88 -0.10 -0.44 0.10 0.00 0.00 179.97 180.32 2b89 h ASP 36 N 0.28 0.00 -0.52 0.08 3.32 -0.43 -3.40 116.42 115.76 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 1.15 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.51 2b89 h ASP 36 CO 0.10 0.10 -0.17 -0.62 -1.72 0.00 0.00 179.24 176.93 2b89 s ASP 37 N -5.91 -0.84 0.26 6.45 -1.08 0.13 -5.04 116.67 110.65 2b89 s ASP 37 Ca -0.01 -0.03 0.04 0.00 -0.52 0.00 0.00 52.55 52.03 2b89 s ASP 37 Cb 0.11 1.41 0.34 0.00 -1.46 0.00 0.00 42.92 43.32 2b89 s ASP 37 CO 0.56 -0.14 1.63 -0.65 0.52 0.00 0.00 175.17 177.10 2b89 h PRO 38 N 7.13 0.31 0.00 4.34 0.11 -0.69 -2.55 132.00 140.66 2b89 h PRO 38 Ca -0.05 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 2b89 h PRO 38 Cb 1.19 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2b89 h PRO 38 CO -0.01 0.72 -0.13 1.03 -0.21 0.00 0.00 178.00 179.40 2b89 h SER 39 N 0.25 0.00 -0.20 -2.05 0.87 -1.95 -0.40 113.55 110.08 2b89 h SER 39 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2b89 h SER 39 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2b89 h SER 39 CO 0.08 0.13 0.00 0.00 -0.53 0.00 0.00 176.83 176.51 2b89 n GLN 40 N -4.35 2.12 -0.13 2.24 1.13 -1.03 -4.17 117.38 113.20 2b89 n GLN 40 Ca -0.03 -1.67 0.14 0.00 -1.94 0.00 0.00 57.00 53.50 2b89 n GLN 40 Cb 0.20 -1.46 0.51 0.00 0.11 0.00 0.00 30.24 29.60 2b89 n GLN 40 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2b89 h SER 41 N 3.56 0.37 0.10 1.08 0.02 -0.66 0.94 113.55 118.96 2b89 h SER 41 Ca 0.00 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2b89 h SER 41 Cb 0.77 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2b89 h SER 41 CO 0.00 0.21 -0.52 0.00 -1.14 0.00 0.00 176.83 175.38 2b89 h ALA 42 N 1.67 0.80 -0.04 3.77 0.00 -1.75 -2.93 119.26 120.78 2b89 h ALA 42 Ca 0.33 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 2b89 h ALA 42 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2b89 h ALA 42 CO -0.10 0.68 -0.77 -0.97 0.00 0.00 0.00 179.25 178.09 2b89 h ASN 43 N 0.36 0.38 -0.70 0.00 -1.24 -0.44 -3.21 115.58 110.74 2b89 h ASN 43 Ca 0.01 -0.27 -0.07 0.00 0.71 0.00 0.00 56.30 56.69 2b89 h ASN 43 Cb 1.03 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.94 2b89 h ASN 43 CO 0.09 1.01 0.17 -0.07 -1.29 0.00 0.00 177.43 177.34 2b89 h LEU 44 N 0.20 1.06 -1.06 0.34 3.38 0.82 0.65 115.31 120.70 2b89 h LEU 44 Ca -0.04 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 2b89 h LEU 44 Cb 1.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2b89 h LEU 44 CO 0.13 1.02 -0.42 -0.07 0.09 0.00 0.00 178.44 179.19 2b89 h LEU 45 N 1.05 0.10 -0.56 1.67 -0.00 -1.60 1.51 115.31 117.48 2b89 h LEU 45 Ca 0.22 -0.04 0.01 0.00 -0.00 0.00 0.00 57.88 58.07 2b89 h LEU 45 Cb 0.38 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 2b89 h LEU 45 CO 0.00 0.52 0.37 0.00 -0.00 0.00 0.00 178.44 179.32 2b89 h ALA 46 N 1.49 0.71 -0.05 1.53 0.00 -1.12 2.65 119.26 124.47 2b89 h ALA 46 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2b89 h ALA 46 Cb 0.78 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2b89 h ALA 46 CO 0.06 0.13 -0.01 0.93 0.00 0.00 0.00 179.25 180.36 2b89 h GLU 47 N 0.74 0.09 -0.37 0.00 5.08 0.12 -0.47 114.58 119.76 2b89 h GLU 47 Ca 0.21 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2b89 h GLU 47 Cb -0.07 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2b89 h GLU 47 CO -0.05 0.41 0.19 0.00 -1.00 0.00 0.00 179.01 178.55 2b89 h ALA 48 N 0.68 0.46 -0.46 3.43 0.00 0.28 1.65 119.26 125.29 2b89 h ALA 48 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2b89 h ALA 48 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2b89 h ALA 48 CO 0.00 -0.18 0.11 0.87 0.00 0.00 0.00 179.25 180.05 2b89 h LYS 49 N 0.38 0.70 -0.15 0.00 1.57 0.47 1.40 116.57 120.93 2b89 h LYS 49 Ca 0.16 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 2b89 h LYS 49 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2b89 h LYS 49 CO -0.11 0.64 -0.51 0.87 -0.57 0.00 0.00 179.45 179.77 2b89 h LYS 50 N 0.68 0.42 -0.28 3.15 1.57 0.56 -1.51 116.57 121.16 2b89 h LYS 50 Ca 0.15 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2b89 h LYS 50 Cb 0.26 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2b89 h LYS 50 CO -0.00 0.83 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.42 2b89 h LEU 51 N 0.33 0.67 -0.27 2.94 -0.00 0.40 0.79 115.31 120.17 2b89 h LEU 51 Ca 0.01 -0.45 0.01 0.00 -0.00 0.00 0.00 57.88 57.46 2b89 h LEU 51 Cb 1.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 2b89 h LEU 51 CO 0.09 0.98 0.15 -1.13 -0.00 0.00 0.00 178.44 178.52 2b89 h ASN 52 N 0.37 0.24 -0.13 -0.43 -1.24 0.19 0.53 115.58 115.11 2b89 h ASN 52 Ca 0.05 0.01 -0.19 0.00 0.71 0.00 0.00 56.30 56.88 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 0.31 0.84 -0.15 1.15 3.32 -1.21 -2.24 116.42 118.44 2b89 h ASP 53 Ca 0.11 -0.48 -0.22 0.00 0.02 0.00 0.00 57.03 56.45 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 1.26 -0.77 0.00 -1.72 0.00 0.00 179.24 177.94 2b89 h ALA 54 N 0.75 0.29 0.02 3.45 0.00 0.11 -3.35 119.26 120.52 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 -0.44 1.96 0.00 0.00 0.00 179.25 181.56 2b89 h GLN 55 N 0.51 0.04 -6.75 0.00 4.20 -0.06 -3.48 115.11 109.58 2b89 h GLN 55 Ca -0.06 -0.08 -0.54 0.00 0.06 0.00 0.00 58.65 58.04 2b89 h GLN 55 Cb 1.41 0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.22 2b89 h GLN 55 CO 0.16 1.04 -0.99 0.00 -0.67 0.00 0.00 178.83 178.36 2b89 n ALA 56 N -2.81 -2.63 -2.18 3.87 0.00 -0.84 -4.74 120.51 111.17 2b89 n ALA 56 Ca -0.16 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.51 2b89 n ALA 56 Cb 0.58 -2.60 -0.05 0.00 0.00 0.00 0.00 19.45 17.39 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 -6.69 2.82 0.00 0.00 0.02 -1.26 -5.08 135.00 124.82 2b89 s PRO 57 Ca 0.41 -0.58 0.27 0.00 0.02 0.00 0.00 61.00 61.12 2b89 s PRO 57 Cb -0.21 -5.16 1.63 0.00 0.02 0.00 0.00 34.50 30.78 2b89 s PRO 57 CO 0.94 -3.12 1.97 1.63 -0.33 0.00 0.00 177.00 178.09