#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b88 s ASP 2 N 0.00 5.92 -0.22 4.52 1.47 -1.26 -5.11 116.67 121.98 2b88 s ASP 2 Ca 0.00 -0.16 -0.04 0.00 1.18 0.00 0.00 52.55 53.54 2b88 s ASP 2 Cb 0.00 -1.20 0.10 0.00 -0.34 0.00 0.00 42.92 41.47 2b88 s ASP 2 CO 0.00 -0.50 0.20 0.21 0.68 0.00 0.00 175.17 175.76 2b88 s ASN 3 N -4.20 1.85 0.02 2.11 2.47 -1.26 -5.13 114.94 110.80 2b88 s ASN 3 Ca 0.46 -0.50 -0.30 0.00 0.42 0.00 0.00 52.86 52.94 2b88 s ASN 3 Cb -0.10 0.21 -0.04 0.00 -1.45 0.00 0.00 41.25 39.88 2b88 s ASN 3 CO 0.32 -0.35 1.04 -0.54 -3.72 0.00 0.00 177.10 173.85 2b88 s LYS 4 N 2.27 4.52 0.53 0.43 3.01 -1.26 -4.91 119.74 124.33 2b88 s LYS 4 Ca 0.07 1.52 0.28 0.00 -1.01 0.00 0.00 55.97 56.83 2b88 s LYS 4 Cb -0.16 -3.43 1.50 0.00 -1.01 0.00 0.00 37.83 34.74 2b88 s LYS 4 CO -0.18 -0.11 2.09 0.27 0.51 0.00 0.00 175.35 177.93 2b88 h PHE 5 N 6.80 0.00 -0.53 3.18 -0.00 -2.01 -2.32 116.94 122.07 2b88 h PHE 5 Ca -0.41 0.00 0.10 0.00 -0.00 0.00 0.00 57.97 57.66 2b88 h PHE 5 Cb 1.22 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.14 2b88 h PHE 5 CO 0.68 0.10 0.36 -0.91 -0.00 0.00 0.00 178.31 178.54 2b88 h ASN 6 N 0.00 0.26 -0.69 -0.68 4.21 -1.99 -0.48 115.58 116.20 2b88 h ASN 6 Ca -0.00 0.01 0.06 0.00 1.21 0.00 0.00 56.30 57.57 2b88 h ASN 6 Cb 0.30 -0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 37.41 2b88 h ASN 6 CO 0.01 0.16 0.46 0.11 -1.29 0.00 0.00 177.43 176.88 2b88 h LYS 7 N 0.29 0.71 -0.16 0.81 1.57 -1.82 -0.58 116.57 117.39 2b88 h LYS 7 Ca 0.25 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2b88 h LYS 7 Cb 0.59 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2b88 h LYS 7 CO -0.05 0.47 -0.22 0.93 -0.57 0.00 0.00 179.45 180.01 2b88 h GLU 8 N 0.74 0.28 -0.34 3.15 5.08 -1.26 -1.86 114.58 120.37 2b88 h GLU 8 Ca 0.29 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 2b88 h GLU 8 Cb 0.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2b88 h GLU 8 CO -0.09 0.50 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.02 2b88 h LEU 9 N 0.26 0.79 -0.59 1.33 4.07 -1.11 0.13 115.31 120.19 2b88 h LEU 9 Ca 0.04 -0.33 -0.15 0.00 0.08 0.00 0.00 57.88 57.53 2b88 h LEU 9 Cb 0.54 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2b88 h LEU 9 CO 0.04 1.05 -0.60 1.23 -1.08 0.00 0.00 178.44 179.07 2b88 h GLY 10 N 0.95 0.38 0.76 0.83 0.00 -1.28 -1.40 103.07 103.31 2b88 h GLY 10 Ca 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2b88 h GLY 10 CO 0.07 0.42 -0.11 -0.25 0.00 0.00 0.00 176.54 176.67 2b88 h TRP 11 N 0.26 -0.29 -0.07 5.60 7.01 -1.02 -2.94 115.95 124.50 2b88 h TRP 11 Ca -0.00 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.88 2b88 h TRP 11 Cb 1.12 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.26 2b88 h TRP 11 CO 0.03 -0.01 -0.43 0.00 -2.79 0.00 0.00 178.44 175.24 2b88 h ALA 12 N 0.14 1.15 -0.21 2.65 0.00 -0.75 -2.09 119.26 120.15 2b88 h ALA 12 Ca -0.03 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2b88 h ALA 12 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2b88 h ALA 12 CO 0.05 0.59 0.12 1.15 0.00 0.00 0.00 179.25 181.16 2b88 h THR 13 N 0.14 1.03 -0.26 0.00 2.02 -1.22 0.78 112.91 115.39 2b88 h THR 13 Ca 0.01 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 2b88 h THR 13 Cb 0.82 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2b88 h THR 13 CO 0.06 0.05 -0.42 4.11 0.37 0.00 0.00 175.52 179.69 2b88 h TRP 14 N 0.26 0.78 -0.26 3.16 5.08 -1.47 0.10 115.95 123.60 2b88 h TRP 14 Ca 0.08 -0.23 0.02 0.00 1.08 0.00 0.00 58.89 59.84 2b88 h TRP 14 Cb -0.01 -0.16 -0.02 0.00 -3.00 0.00 0.00 29.16 25.96 2b88 h TRP 14 CO -0.07 0.96 0.11 0.93 -1.28 0.00 0.00 178.44 179.09 2b88 h GLU 15 N 0.53 0.24 -0.27 0.12 4.39 -0.86 0.30 114.58 119.03 2b88 h GLU 15 Ca 0.04 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 2b88 h GLU 15 Cb 0.95 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2b88 h GLU 15 CO 0.09 0.16 -0.32 0.82 -1.16 0.00 0.00 179.01 178.59 2b88 h ILE 16 N 0.25 1.30 0.00 3.13 2.04 -0.82 -2.71 117.51 120.70 2b88 h ILE 16 Ca 0.11 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.47 2b88 h ILE 16 Cb 0.05 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2b88 h ILE 16 CO -0.09 0.48 0.00 -0.26 0.00 0.00 0.00 178.15 178.28 2b88 h PHE 17 N 0.44 0.00 -0.05 1.37 0.04 -0.43 -1.95 116.94 116.35 2b88 h PHE 17 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2b88 h PHE 17 Cb 0.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.05 2b88 h PHE 17 CO 0.08 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.88 2b88 n ASN 18 N -2.84 0.54 -4.65 2.17 4.13 0.10 -4.76 115.26 109.95 2b88 n ASN 18 Ca -0.01 -2.02 -0.41 0.00 1.68 0.00 0.00 54.58 53.83 2b88 n ASN 18 Cb 0.18 -0.15 -0.05 0.00 -1.54 0.00 0.00 39.78 38.22 2b88 n ASN 18 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b88 s LEU 19 N -0.80 4.13 0.00 3.41 1.43 -0.74 -4.95 118.68 121.16 2b88 s LEU 19 Ca 0.04 0.92 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 2b88 s LEU 19 Cb 0.02 -3.01 0.18 0.00 0.03 0.00 0.00 46.19 43.41 2b88 s LEU 19 CO 0.02 -0.35 0.89 -0.81 0.23 0.00 0.00 176.35 176.33 2b88 n PRO 20 N 5.33 0.76 0.00 1.29 -0.05 -1.26 -3.34 135.00 137.72 2b88 n PRO 20 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.46 2b88 n PRO 20 Cb 0.49 -1.06 0.00 0.00 -0.05 0.00 0.00 33.50 32.88 2b88 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2b88 n ASN 21 N -0.56 0.93 -4.79 3.54 4.13 -1.26 -5.04 115.26 112.21 2b88 n ASN 21 Ca 0.02 -0.25 -0.30 0.00 1.68 0.00 0.00 54.58 55.74 2b88 n ASN 21 Cb 0.01 0.68 0.11 0.00 -1.54 0.00 0.00 39.78 39.04 2b88 n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2b88 s LEU 22 N -1.55 2.39 0.22 3.41 1.43 -1.21 -4.85 118.68 118.52 2b88 s LEU 22 Ca 0.00 1.24 0.07 0.00 -1.03 0.00 0.00 54.13 54.41 2b88 s LEU 22 Cb 0.00 -3.76 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2b88 s LEU 22 CO 0.00 -2.22 -0.11 0.54 0.23 0.00 0.00 176.35 174.79 2b88 s ASN 23 N -3.86 2.50 0.60 2.29 2.20 -1.26 -4.98 114.94 112.43 2b88 s ASN 23 Ca 0.62 -1.08 0.28 0.00 -0.94 0.00 0.00 52.86 51.75 2b88 s ASN 23 Cb -0.15 -0.12 1.34 0.00 -2.00 0.00 0.00 41.25 40.32 2b88 s ASN 23 CO 0.54 -0.25 1.74 1.23 -2.94 0.00 0.00 177.10 177.43 2b88 h GLY 24 N 2.50 0.00 0.30 0.45 0.00 -1.98 -0.65 103.07 103.70 2b88 h GLY 24 Ca -0.38 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2b88 h GLY 24 CO 0.64 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 175.09 2b88 h VAL 25 N 0.00 1.50 -0.20 4.60 2.07 -1.98 -2.31 116.25 119.94 2b88 h VAL 25 Ca 0.28 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 2b88 h VAL 25 Cb 1.61 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.96 2b88 h VAL 25 CO -0.00 0.41 -0.10 1.56 0.02 0.00 0.00 177.57 179.45 2b88 h GLN 26 N -0.71 0.42 0.10 1.57 4.20 -1.58 -0.64 115.11 118.47 2b88 h GLN 26 Ca -0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2b88 h GLN 26 Cb 0.68 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2b88 h GLN 26 CO 0.00 0.72 -0.10 0.28 -0.67 0.00 0.00 178.83 179.06 2b88 h VAL 27 N 0.11 0.77 -0.80 -0.54 2.07 -1.32 -0.36 116.25 116.16 2b88 h VAL 27 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 2b88 h VAL 27 Cb 0.60 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2b88 h VAL 27 CO 0.03 0.00 0.52 0.50 0.02 0.00 0.00 177.57 178.64 2b88 h LYS 28 N -0.23 0.60 -0.64 1.57 3.64 -1.40 1.44 116.57 121.56 2b88 h LYS 28 Ca 0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2b88 h LYS 28 Cb 0.22 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2b88 h LYS 28 CO -0.03 0.40 0.28 0.00 -2.27 0.00 0.00 179.45 177.82 2b88 h ALA 29 N 1.62 0.84 -0.11 5.00 0.00 0.08 1.87 119.26 128.56 2b88 h ALA 29 Ca 0.38 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 2b88 h ALA 29 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2b88 h ALA 29 CO -0.15 0.43 -0.76 0.74 0.00 0.00 0.00 179.25 179.51 2b88 h PHE 30 N 0.90 0.78 -0.30 0.00 0.04 0.10 -0.93 116.94 117.54 2b88 h PHE 30 Ca 0.22 -0.35 -0.06 0.00 2.80 0.00 0.00 57.97 60.58 2b88 h PHE 30 Cb 0.18 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2b88 h PHE 30 CO 0.01 1.14 -0.06 0.82 -0.60 0.00 0.00 178.31 179.62 2b88 h ILE 31 N 0.39 1.20 -0.33 -0.55 1.08 0.25 -1.77 117.51 117.78 2b88 h ILE 31 Ca -0.04 -0.86 -0.08 0.00 -0.39 0.00 0.00 64.86 63.49 2b88 h ILE 31 Cb 1.36 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 2b88 h ILE 31 CO 0.14 0.29 -0.10 0.44 -0.69 0.00 0.00 178.15 178.23 2b88 h ASP 32 N 0.46 0.67 0.24 1.72 3.32 0.33 -2.78 116.42 120.37 2b88 h ASP 32 Ca 0.09 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 2b88 h ASP 32 Cb 0.39 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2b88 h ASP 32 CO 0.02 0.89 -0.15 -1.28 -1.72 0.00 0.00 179.24 177.00 2b88 h SER 33 N 0.44 0.00 -0.60 6.45 0.87 -0.77 -2.56 113.55 117.38 2b88 h SER 33 Ca 0.08 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 2b88 h SER 33 Cb 0.61 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 2b88 h SER 33 CO 0.04 0.15 0.33 -0.07 -0.53 0.00 0.00 176.83 176.75 2b88 h LEU 34 N 0.00 0.51 -1.02 2.23 -0.00 -1.04 -0.71 115.31 115.28 2b88 h LEU 34 Ca -0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.84 2b88 h LEU 34 Cb 0.30 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 2b88 h LEU 34 CO 0.02 0.34 0.09 0.03 -0.00 0.00 0.00 178.44 178.92 2b88 h ARG 35 N 0.64 0.80 0.00 1.13 -0.00 -1.49 -1.83 114.38 113.63 2b88 h ARG 35 Ca 0.26 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.98 59.52 2b88 h ARG 35 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 29.97 2b88 h ARG 35 CO -0.15 0.74 -0.22 0.22 0.00 0.00 0.00 179.97 180.56 2b88 h ASP 36 N 0.76 0.00 -0.85 7.04 3.58 -1.23 -3.42 116.42 122.30 2b88 h ASP 36 Ca 0.16 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.77 2b88 h ASP 36 Cb 0.33 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.17 2b88 h ASP 36 CO 0.00 0.22 -0.01 -0.62 -2.88 0.00 0.00 179.24 175.96 2b88 s ASP 37 N -6.36 -0.87 0.22 2.28 -1.08 -0.37 -5.05 116.67 105.44 2b88 s ASP 37 Ca -0.02 0.71 0.09 0.00 -0.52 0.00 0.00 52.55 52.82 2b88 s ASP 37 Cb 0.13 1.79 0.15 0.00 -1.46 0.00 0.00 42.92 43.53 2b88 s ASP 37 CO 0.64 -0.16 1.49 -0.65 0.52 0.00 0.00 175.17 177.01 2b88 h PRO 38 N 7.90 0.00 0.00 4.34 0.11 -1.66 -3.12 132.00 139.56 2b88 h PRO 38 Ca -0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 2b88 h PRO 38 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2b88 h PRO 38 CO 0.08 0.75 -0.20 0.66 -0.21 0.00 0.00 178.00 179.08 2b88 h SER 39 N 0.00 0.00 0.70 -2.05 4.64 -1.93 -2.84 113.55 112.07 2b88 h SER 39 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2b88 h SER 39 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2b88 h SER 39 CO 0.10 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 2b88 n GLN 40 N -3.27 0.00 -0.32 4.77 1.13 -1.18 -4.06 117.38 114.45 2b88 n GLN 40 Ca 0.01 0.15 0.23 0.00 -1.94 0.00 0.00 57.00 55.45 2b88 n GLN 40 Cb 0.47 -1.50 0.43 0.00 0.11 0.00 0.00 30.24 29.75 2b88 n GLN 40 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2b88 n SER 41 N -1.50 0.13 -0.04 1.08 3.41 -1.07 0.24 113.62 115.86 2b88 n SER 41 Ca 0.05 1.60 -0.03 0.00 -0.26 0.00 0.00 58.87 60.23 2b88 n SER 41 Cb 0.24 -0.69 0.21 0.00 -0.26 0.00 0.00 64.21 63.71 2b88 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b88 h ALA 42 N 1.91 1.17 -0.27 7.33 0.00 -1.86 0.49 119.26 128.02 2b88 h ALA 42 Ca 0.70 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 55.15 2b88 h ALA 42 Cb 1.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2b88 h ALA 42 CO -0.81 0.53 -0.57 -0.97 0.00 0.00 0.00 179.25 177.43 2b88 h ASN 43 N 0.59 0.94 -0.45 0.00 -0.73 0.28 0.43 115.58 116.64 2b88 h ASN 43 Ca 0.11 -0.52 -0.07 0.00 1.87 0.00 0.00 56.30 57.70 2b88 h ASN 43 Cb 0.48 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 2b88 h ASN 43 CO 0.03 1.31 0.05 -0.07 -0.37 0.00 0.00 177.43 178.38 2b88 h LEU 44 N 0.64 0.79 -0.47 0.34 3.38 -0.07 1.14 115.31 121.07 2b88 h LEU 44 Ca 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2b88 h LEU 44 Cb 1.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2b88 h LEU 44 CO 0.12 0.82 0.22 -0.07 0.09 0.00 0.00 178.44 179.63 2b88 h LEU 45 N 0.78 0.61 -0.33 1.67 -0.00 0.28 0.61 115.31 118.94 2b88 h LEU 45 Ca 0.16 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2b88 h LEU 45 Cb 0.39 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 2b88 h LEU 45 CO 0.01 0.57 0.21 0.00 -0.00 0.00 0.00 178.44 179.22 2b88 h ALA 46 N 1.07 0.42 -0.23 1.53 0.00 0.22 1.20 119.26 123.47 2b88 h ALA 46 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2b88 h ALA 46 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2b88 h ALA 46 CO -0.02 -0.10 -0.07 0.93 0.00 0.00 0.00 179.25 179.98 2b88 h GLU 47 N 0.43 0.36 -0.17 0.00 4.39 0.16 0.40 114.58 120.16 2b88 h GLU 47 Ca 0.12 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2b88 h GLU 47 Cb -0.02 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2b88 h GLU 47 CO -0.02 0.45 -0.14 0.00 -1.16 0.00 0.00 179.01 178.14 2b88 h ALA 48 N 1.58 0.24 -0.58 3.43 0.00 0.19 0.19 119.26 124.32 2b88 h ALA 48 Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2b88 h ALA 48 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2b88 h ALA 48 CO 0.02 0.12 0.30 0.87 0.00 0.00 0.00 179.25 180.55 2b88 h LYS 49 N 0.05 0.80 -0.63 0.00 1.79 0.21 0.92 116.57 119.70 2b88 h LYS 49 Ca 0.03 -0.09 -0.09 0.00 -2.18 0.00 0.00 60.65 58.32 2b88 h LYS 49 Cb 0.66 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 2b88 h LYS 49 CO 0.04 0.61 0.03 0.87 -1.08 0.00 0.00 179.45 179.91 2b88 h LYS 50 N 0.81 1.09 -0.18 3.15 1.57 0.09 0.98 116.57 124.08 2b88 h LYS 50 Ca 0.20 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 2b88 h LYS 50 Cb 0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2b88 h LYS 50 CO -0.03 1.05 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.60 2b88 h LEU 51 N 1.00 0.51 -0.37 2.94 -0.00 0.96 -1.02 115.31 119.33 2b88 h LEU 51 Ca 0.18 -0.50 -0.02 0.00 -0.00 0.00 0.00 57.88 57.54 2b88 h LEU 51 Cb 0.54 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 2b88 h LEU 51 CO 0.03 0.91 0.16 -0.55 -0.00 0.00 0.00 178.44 178.98 2b88 h ASN 52 N 0.12 0.50 -0.80 -0.43 -1.07 0.10 0.15 115.58 114.15 2b88 h ASN 52 Ca 0.02 -0.15 0.01 0.00 0.07 0.00 0.00 56.30 56.25 2b88 h ASN 52 Cb 0.78 -0.13 -0.04 0.00 -2.07 0.00 0.00 38.32 36.86 2b88 h ASN 52 CO 0.05 0.51 0.53 -0.78 0.07 0.00 0.00 177.43 177.81 2b88 h ASP 53 N 0.46 0.92 0.06 6.14 3.58 0.10 1.47 116.42 129.16 2b88 h ASP 53 Ca 0.13 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 2b88 h ASP 53 Cb 0.16 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2b88 h ASP 53 CO -0.01 0.67 -0.20 0.00 -2.88 0.00 0.00 179.24 176.82 2b88 h ALA 54 N 1.29 1.38 -0.01 -0.78 0.00 -0.85 -1.70 119.26 118.59 2b88 h ALA 54 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2b88 h ALA 54 Cb -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2b88 h ALA 54 CO -0.06 0.43 -0.17 1.04 0.00 0.00 0.00 179.25 180.48 2b88 n GLN 55 N -4.20 1.35 -3.60 0.00 6.02 0.51 -4.89 117.38 112.55 2b88 n GLN 55 Ca -0.01 -0.90 -0.35 0.00 -0.01 0.00 0.00 57.00 55.73 2b88 n GLN 55 Cb 0.33 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 2b88 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b88 s ALA 56 N -2.27 3.75 0.78 -1.58 0.00 0.49 -4.85 121.76 118.07 2b88 s ALA 56 Ca 0.28 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 2b88 s ALA 56 Cb 0.20 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.06 2b88 s ALA 56 CO 0.44 0.56 0.63 -0.35 0.00 0.00 0.00 175.76 177.05 2b88 n PRO 57 N 1.17 0.19 0.00 0.00 -0.04 -1.26 -4.90 135.00 130.16 2b88 n PRO 57 Ca -0.10 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2b88 n PRO 57 Cb 0.52 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2b88 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09