#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t s ASP 2 N 0.00 -0.42 0.29 6.55 -1.08 -1.26 -5.00 116.67 115.75 1h0t s ASP 2 Ca 0.00 -0.19 -0.02 0.00 -0.52 0.00 0.00 52.55 51.82 1h0t s ASP 2 Cb 0.00 0.57 0.42 0.00 -1.46 0.00 0.00 42.92 42.45 1h0t s ASP 2 CO 0.00 -0.97 1.94 0.78 0.52 0.00 0.00 175.17 177.44 1h0t h ASN 3 N 2.13 1.00 -0.29 -0.34 2.35 -2.03 -2.21 115.58 116.19 1h0t h ASN 3 Ca -0.32 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.32 1h0t h ASN 3 Cb 1.28 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1h0t h ASN 3 CO 0.40 0.69 -0.13 0.07 -1.65 0.00 0.00 177.43 176.81 1h0t h LYS 4 N 1.16 0.71 0.00 0.81 2.10 -2.02 -2.88 116.57 116.46 1h0t h LYS 4 Ca 0.35 -0.24 -0.01 0.00 -2.00 0.00 0.00 60.65 58.76 1h0t h LYS 4 Cb -0.02 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.25 1h0t h LYS 4 CO -0.10 0.82 -0.02 0.74 -2.00 0.00 0.00 179.45 178.88 1h0t h PHE 5 N 0.65 0.00 -0.44 0.07 0.04 -1.72 -2.38 116.94 113.16 1h0t h PHE 5 Ca 0.11 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.96 1h0t h PHE 5 Cb 0.59 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.67 1h0t h PHE 5 CO 0.03 0.02 -0.02 -0.97 -0.60 0.00 0.00 178.31 176.77 1h0t h ASN 6 N 0.00 -0.23 0.44 2.17 -1.24 -1.47 -1.24 115.58 114.02 1h0t h ASN 6 Ca -0.00 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1h0t h ASN 6 Cb 0.07 0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1h0t h ASN 6 CO 0.00 -0.07 -0.91 1.17 -1.29 0.00 0.00 177.43 176.33 1h0t n LYS 7 N -5.23 0.22 -0.18 6.67 0.00 -1.11 -3.51 118.16 115.01 1h0t n LYS 7 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.25 1h0t n LYS 7 Cb 0.24 -1.58 0.01 0.00 0.00 0.00 0.00 35.03 33.70 1h0t n LYS 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1h0t h GLU 8 N 0.00 1.04 -0.63 1.64 4.39 -0.87 0.59 114.58 120.73 1h0t h GLU 8 Ca 0.00 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 1h0t h GLU 8 Cb 0.68 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1h0t h GLU 8 CO 0.00 1.08 0.18 1.96 -1.16 0.00 0.00 179.01 181.07 1h0t h GLN 9 N 0.91 0.96 -0.31 2.33 4.20 -1.38 0.64 115.11 122.47 1h0t h GLN 9 Ca 0.14 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1h0t h GLN 9 Cb 0.69 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1h0t h GLN 9 CO 0.05 0.84 0.12 0.37 -0.67 0.00 0.00 178.83 179.54 1h0t h GLN 10 N 0.93 0.46 -0.14 1.46 5.75 -1.32 0.47 115.11 122.71 1h0t h GLN 10 Ca 0.20 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 58.51 1h0t h GLN 10 Cb 0.29 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.77 1h0t h GLN 10 CO -0.01 0.48 -0.33 -0.97 -2.65 0.00 0.00 178.83 175.36 1h0t h ASN 11 N 0.35 0.54 -0.68 -0.69 -1.24 0.52 -0.46 115.58 113.91 1h0t h ASN 11 Ca 0.10 -0.57 -0.04 0.00 0.71 0.00 0.00 56.30 56.50 1h0t h ASN 11 Cb 0.20 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1h0t h ASN 11 CO -0.01 1.01 0.26 0.00 -1.29 0.00 0.00 177.43 177.40 1h0t h ALA 12 N 0.54 0.89 0.57 1.57 0.00 0.34 0.37 119.26 123.53 1h0t h ALA 12 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1h0t h ALA 12 Cb 0.93 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1h0t h ALA 12 CO 0.07 0.52 -0.27 0.35 0.00 0.00 0.00 179.25 179.92 1h0t h PHE 13 N 0.97 -0.71 -0.12 0.00 3.57 -0.06 0.36 116.94 120.97 1h0t h PHE 13 Ca 0.23 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.75 1h0t h PHE 13 Cb 0.23 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1h0t h PHE 13 CO 0.02 -0.42 -0.34 -0.92 -2.23 0.00 0.00 178.31 174.42 1h0t h TYR 14 N -0.81 -0.94 -0.70 0.41 3.20 -0.85 -0.41 116.97 116.86 1h0t h TYR 14 Ca -0.08 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.85 1h0t h TYR 14 Cb 0.61 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1h0t h TYR 14 CO -0.03 -0.42 0.45 0.93 -1.64 0.00 0.00 178.16 177.46 1h0t h GLU 15 N -0.42 0.86 -0.53 1.82 4.39 -0.16 0.23 114.58 120.77 1h0t h GLU 15 Ca 0.09 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1h0t h GLU 15 Cb 0.56 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 1h0t h GLU 15 CO -0.35 0.57 0.14 0.82 -1.16 0.00 0.00 179.01 179.03 1h0t h ILE 16 N 0.89 0.74 -0.48 3.13 2.04 0.64 0.54 117.51 125.00 1h0t h ILE 16 Ca 0.27 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.93 1h0t h ILE 16 Cb -0.03 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1h0t h ILE 16 CO -0.09 0.05 -0.13 -0.07 0.00 0.00 0.00 178.15 177.92 1h0t h LEU 17 N 0.29 0.91 -0.29 1.44 3.38 -0.37 -3.08 115.31 117.59 1h0t h LEU 17 Ca 0.26 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1h0t h LEU 17 Cb 0.34 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1h0t h LEU 17 CO -0.32 1.04 -0.09 0.45 0.09 0.00 0.00 178.44 179.61 1h0t h HIS 18 N 0.81 0.00 -2.13 1.13 3.86 0.69 -3.46 115.15 116.05 1h0t h HIS 18 Ca 0.13 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.75 1h0t h HIS 18 Cb 0.66 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.15 1h0t h HIS 18 CO 0.04 0.09 1.14 1.28 0.86 0.00 0.00 177.93 181.34 1h0t n LEU 19 N -3.14 3.66 0.23 2.43 4.77 0.18 -4.85 117.00 120.28 1h0t n LEU 19 Ca 0.03 0.95 0.16 0.00 -0.03 0.00 0.00 56.01 57.12 1h0t n LEU 19 Cb 0.52 -1.42 0.79 0.00 -2.33 0.00 0.00 43.42 40.99 1h0t n LEU 19 CO 0.34 0.02 0.98 1.55 -1.33 0.00 0.00 177.39 178.95 1h0t h PRO 20 N 9.57 0.00 -0.15 3.23 0.13 -1.90 -2.87 132.00 140.01 1h0t h PRO 20 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h0t h PRO 20 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1h0t h PRO 20 CO 0.95 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1h0t n ASN 21 N -2.67 2.28 -4.70 1.44 3.02 -1.26 -4.97 115.26 108.39 1h0t n ASN 21 Ca -0.01 -1.79 -0.40 0.00 -0.03 0.00 0.00 54.58 52.34 1h0t n ASN 21 Cb 0.13 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h0t s LEU 22 N -0.88 4.28 0.00 3.41 1.43 -1.09 -4.73 118.68 121.11 1h0t s LEU 22 Ca 0.12 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1h0t s LEU 22 Cb 0.07 -3.14 0.02 0.00 0.03 0.00 0.00 46.19 43.17 1h0t s LEU 22 CO 0.09 -0.19 0.17 -0.46 0.23 0.00 0.00 176.35 176.20 1h0t n ASN 23 N 4.14 0.82 -0.25 2.29 0.23 -1.26 -4.74 115.26 116.49 1h0t n ASN 23 Ca 0.00 -1.42 -0.06 0.00 -0.53 0.00 0.00 54.58 52.57 1h0t n ASN 23 Cb 0.51 -0.08 0.08 0.00 -2.08 0.00 0.00 39.78 38.21 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1h0t h GLU 24 N 0.00 1.12 -0.28 -3.83 5.08 -1.96 0.43 114.58 115.14 1h0t h GLU 24 Ca -0.07 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1h0t h GLU 24 Cb 0.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1h0t h GLU 24 CO 0.11 0.96 0.11 1.49 -1.00 0.00 0.00 179.01 180.67 1h0t h GLU 25 N 1.08 0.43 0.11 2.33 4.57 -1.98 -1.01 114.58 120.11 1h0t h GLU 25 Ca 0.23 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1h0t h GLU 25 Cb 0.30 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1h0t h GLU 25 CO -0.01 0.46 -0.05 1.96 -1.18 0.00 0.00 179.01 180.19 1h0t h GLN 26 N 0.30 -0.15 -0.37 1.92 7.50 -1.90 -2.91 115.11 119.51 1h0t h GLN 26 Ca 0.09 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.26 1h0t h GLN 26 Cb 0.20 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.75 1h0t h GLN 26 CO -0.01 0.19 0.24 -0.09 -1.50 0.00 0.00 178.83 177.66 1h0t h ARG 27 N -0.98 0.47 -0.17 1.46 2.43 -0.23 -0.58 114.38 116.76 1h0t h ARG 27 Ca -0.02 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1h0t h ARG 27 Cb 0.40 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1h0t h ARG 27 CO 0.03 0.31 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.83 1h0t h ASN 28 N 0.48 0.34 -0.32 -3.80 2.35 -1.31 -1.20 115.58 112.12 1h0t h ASN 28 Ca 0.14 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1h0t h ASN 28 Cb -0.04 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1h0t h ASN 28 CO -0.04 0.64 0.15 0.00 -1.65 0.00 0.00 177.43 176.53 1h0t h ALA 29 N 0.71 1.57 -0.35 -0.83 0.00 -1.49 -1.32 119.26 117.56 1h0t h ALA 29 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1h0t h ALA 29 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1h0t h ALA 29 CO 0.02 0.34 0.07 0.74 0.00 0.00 0.00 179.25 180.42 1h0t h PHE 30 N 0.52 0.60 0.00 0.00 -1.00 -0.87 -0.43 116.94 115.76 1h0t h PHE 30 Ca 0.13 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 1h0t h PHE 30 Cb 0.10 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 1h0t h PHE 30 CO 0.00 0.61 -0.15 0.82 -1.61 0.00 0.00 178.31 177.99 1h0t h ILE 31 N 0.41 0.91 -0.07 -0.55 2.04 -0.60 0.61 117.51 120.27 1h0t h ILE 31 Ca 0.11 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1h0t h ILE 31 Cb 0.33 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1h0t h ILE 31 CO 0.00 0.14 -0.17 1.56 0.00 0.00 0.00 178.15 179.69 1h0t h GLN 32 N 0.00 0.23 0.00 2.37 4.20 -0.41 0.21 115.11 121.71 1h0t h GLN 32 Ca -0.00 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 1h0t h GLN 32 Cb 0.29 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1h0t h GLN 32 CO 0.02 0.77 -0.40 0.66 -0.67 0.00 0.00 178.83 179.21 1h0t h SER 33 N -0.27 0.00 0.11 1.46 4.64 -0.59 -2.23 113.55 116.67 1h0t h SER 33 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1h0t h SER 33 Cb 0.77 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1h0t h SER 33 CO 0.04 0.40 -0.64 0.25 -0.87 0.00 0.00 176.83 176.01 1h0t h LEU 34 N 0.00 0.38 -1.20 5.97 5.85 0.25 -1.10 115.31 125.47 1h0t h LEU 34 Ca -0.00 -0.95 -0.08 0.00 0.84 0.00 0.00 57.88 57.68 1h0t h LEU 34 Cb 0.74 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1h0t h LEU 34 CO 0.05 1.30 -0.38 0.11 -0.34 0.00 0.00 178.44 179.19 1h0t h LYS 35 N -0.48 0.05 0.09 1.25 1.57 -0.58 -3.19 116.57 115.28 1h0t h LYS 35 Ca -0.11 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.33 1h0t h LYS 35 Cb 1.49 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.78 1h0t h LYS 35 CO 0.12 0.42 -1.74 -0.44 -0.57 0.00 0.00 179.45 177.24 1h0t h ASP 36 N 0.04 0.29 -3.77 0.86 3.32 -1.51 -3.44 116.42 112.21 1h0t h ASP 36 Ca 0.00 -0.54 -0.67 0.00 0.02 0.00 0.00 57.03 55.84 1h0t h ASP 36 Cb 0.69 -0.09 -0.36 0.00 0.22 0.00 0.00 39.33 39.78 1h0t h ASP 36 CO 0.05 1.47 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.69 1h0t s ASP 37 N -6.76 4.72 0.16 6.45 -1.08 -0.41 -4.99 116.67 114.75 1h0t s ASP 37 Ca -0.12 -1.56 -0.08 0.00 -0.52 0.00 0.00 52.55 50.27 1h0t s ASP 37 Cb 0.07 -1.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.89 1h0t s ASP 37 CO 0.82 -0.28 1.46 1.55 0.52 0.00 0.00 175.17 179.24 1h0t h PRO 38 N 7.84 0.78 -0.41 4.34 0.13 -1.84 -3.27 132.00 139.56 1h0t h PRO 38 Ca -0.16 -0.47 -0.08 0.00 -0.87 0.00 0.00 66.00 64.42 1h0t h PRO 38 Cb 1.04 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1h0t h PRO 38 CO 0.52 1.10 -0.06 0.77 -0.23 0.00 0.00 178.00 180.09 1h0t h SER 39 N 0.61 0.67 -0.02 1.44 0.02 -1.93 -2.72 113.55 111.62 1h0t h SER 39 Ca 0.02 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1h0t h SER 39 Cb 1.09 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1h0t h SER 39 CO 0.11 0.77 0.00 1.67 -1.14 0.00 0.00 176.83 178.24 1h0t n GLN 40 N -4.20 1.16 -0.12 3.45 -0.06 -1.24 -4.30 117.38 112.07 1h0t n GLN 40 Ca 0.02 -0.24 -0.05 0.00 -2.00 0.00 0.00 57.00 54.73 1h0t n GLN 40 Cb 0.32 -1.42 0.03 0.00 -4.06 0.00 0.00 30.24 25.10 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1h0t h SER 41 N 0.53 0.00 -0.27 1.69 4.64 -1.54 0.55 113.55 119.16 1h0t h SER 41 Ca 0.00 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1h0t h SER 41 Cb 0.11 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1h0t h SER 41 CO 0.00 0.04 0.15 0.00 -0.87 0.00 0.00 176.83 176.15 1h0t h ALA 42 N 1.30 0.35 -0.77 5.18 0.00 -1.82 -0.35 119.26 123.14 1h0t h ALA 42 Ca 0.19 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1h0t h ALA 42 Cb 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1h0t h ALA 42 CO -0.25 -0.13 0.51 -0.91 0.00 0.00 0.00 179.25 178.47 1h0t h ASN 43 N 0.33 0.68 -0.53 0.00 4.21 -1.69 0.31 115.58 118.89 1h0t h ASN 43 Ca 0.10 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.55 1h0t h ASN 43 Cb 0.05 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 1h0t h ASN 43 CO -0.02 0.42 0.07 -0.07 -1.29 0.00 0.00 177.43 176.54 1h0t h LEU 44 N 0.76 0.86 -0.30 1.61 3.38 0.11 0.60 115.31 122.32 1h0t h LEU 44 Ca 0.35 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1h0t h LEU 44 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1h0t h LEU 44 CO -0.13 0.91 -0.20 0.25 0.09 0.00 0.00 178.44 179.37 1h0t h LEU 45 N 0.78 0.70 -0.45 1.67 5.85 0.19 0.30 115.31 124.34 1h0t h LEU 45 Ca 0.16 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1h0t h LEU 45 Cb 0.43 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1h0t h LEU 45 CO 0.01 0.98 0.20 0.00 -0.34 0.00 0.00 178.44 179.29 1h0t h ALA 46 N 0.74 0.55 -0.27 1.25 0.00 -0.01 0.85 119.26 122.38 1h0t h ALA 46 Ca 0.06 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1h0t h ALA 46 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1h0t h ALA 46 CO 0.05 -0.18 -0.31 1.05 0.00 0.00 0.00 179.25 179.87 1h0t h GLU 47 N 0.39 0.55 -0.58 0.00 4.11 0.32 0.76 114.58 120.14 1h0t h GLU 47 Ca 0.20 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 59.30 1h0t h GLU 47 Cb 0.15 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1h0t h GLU 47 CO -0.17 0.80 -0.00 0.00 0.07 0.00 0.00 179.01 179.71 1h0t h ALA 48 N 1.19 0.90 -0.22 1.06 0.00 0.78 0.64 119.26 123.61 1h0t h ALA 48 Ca 0.06 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1h0t h ALA 48 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1h0t h ALA 48 CO 0.06 0.65 -0.50 0.87 0.00 0.00 0.00 179.25 180.33 1h0t h LYS 49 N 0.92 0.61 -0.79 0.00 1.57 0.11 0.34 116.57 119.33 1h0t h LYS 49 Ca 0.17 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1h0t h LYS 49 Cb 0.54 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1h0t h LYS 49 CO 0.03 0.97 0.34 -0.22 -0.57 0.00 0.00 179.45 180.00 1h0t h LYS 50 N 0.48 1.17 -0.16 3.15 3.64 0.10 -1.84 116.57 123.12 1h0t h LYS 50 Ca 0.02 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.03 1h0t h LYS 50 Cb 1.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1h0t h LYS 50 CO 0.10 0.93 -0.60 -0.07 -2.27 0.00 0.00 179.45 177.54 1h0t h LEU 51 N 1.15 0.62 -0.63 5.20 4.07 0.77 -1.60 115.31 124.88 1h0t h LEU 51 Ca 0.27 -0.35 0.03 0.00 0.08 0.00 0.00 57.88 57.91 1h0t h LEU 51 Cb 0.18 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 1h0t h LEU 51 CO -0.03 1.08 0.39 -1.13 -1.08 0.00 0.00 178.44 177.67 1h0t h ASN 52 N 0.41 0.64 0.09 -0.43 -1.24 0.34 0.48 115.58 115.87 1h0t h ASN 52 Ca -0.00 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.73 1h0t h ASN 52 Cb 1.16 -0.13 0.02 0.00 0.73 0.00 0.00 38.32 40.10 1h0t h ASN 52 CO 0.11 0.44 -1.12 0.44 -1.29 0.00 0.00 177.43 176.02 1h0t h ASP 53 N 0.77 0.86 -0.47 1.15 3.32 -1.32 -1.42 116.42 119.31 1h0t h ASP 53 Ca 0.26 -0.73 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 1h0t h ASP 53 Cb 0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1h0t h ASP 53 CO -0.11 1.54 -0.11 0.00 -1.72 0.00 0.00 179.24 178.85 1h0t h ALA 54 N 0.39 0.65 -0.20 3.45 0.00 -1.04 -2.73 119.26 119.78 1h0t h ALA 54 Ca -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1h0t h ALA 54 Cb 1.78 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1h0t h ALA 54 CO 0.21 0.55 0.00 1.04 0.00 0.00 0.00 179.25 181.05 1h0t n GLN 55 N -4.24 1.74 -2.11 0.00 6.02 0.17 -4.94 117.38 114.02 1h0t n GLN 55 Ca 0.00 -1.13 -0.33 0.00 -0.01 0.00 0.00 57.00 55.53 1h0t n GLN 55 Cb 0.39 -1.37 0.01 0.00 1.02 0.00 0.00 30.24 30.28 1h0t n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h0t s ALA 56 N -1.74 2.69 0.15 -1.58 0.00 -0.53 -4.91 121.76 115.84 1h0t s ALA 56 Ca 0.31 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 1h0t s ALA 56 Cb 0.16 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 1h0t s ALA 56 CO 0.24 -0.82 1.25 -1.25 0.00 0.00 0.00 175.76 175.19 1h0t s PRO 57 N -3.79 4.43 0.00 0.00 0.04 -1.26 -5.03 135.00 129.39 1h0t s PRO 57 Ca 0.67 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1h0t s PRO 57 Cb -0.18 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1h0t s PRO 57 CO 0.33 -0.22 0.00 0.36 0.04 0.00 0.00 177.00 177.51