#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t h ASP 2 N 0.00 0.59 -3.78 6.55 3.58 -2.07 -3.39 116.42 117.90 1h0t h ASP 2 Ca 0.00 -0.11 -0.66 0.00 0.42 0.00 0.00 57.03 56.68 1h0t h ASP 2 Cb 0.00 -0.15 -0.38 0.00 1.72 0.00 0.00 39.33 40.52 1h0t h ASP 2 CO 0.00 0.53 -0.77 0.21 -2.88 0.00 0.00 179.24 176.32 1h0t s ASN 3 N -5.80 4.48 0.21 2.28 3.84 -1.26 -5.00 114.94 113.69 1h0t s ASN 3 Ca -0.13 -1.61 -0.09 0.00 0.21 0.00 0.00 52.86 51.24 1h0t s ASN 3 Cb 0.11 -1.52 0.15 0.00 -0.55 0.00 0.00 41.25 39.44 1h0t s ASN 3 CO 0.75 -0.26 1.80 0.07 -2.79 0.00 0.00 177.10 176.67 1h0t h LYS 4 N 7.75 1.13 -0.11 0.43 2.10 -2.03 -2.81 116.57 123.02 1h0t h LYS 4 Ca -0.14 -0.17 0.03 0.00 -2.00 0.00 0.00 60.65 58.37 1h0t h LYS 4 Cb 1.04 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1h0t h LYS 4 CO 0.47 0.88 0.09 0.74 -2.00 0.00 0.00 179.45 179.64 1h0t h PHE 5 N 1.10 0.00 0.07 0.07 0.04 -1.94 -0.03 116.94 116.25 1h0t h PHE 5 Ca 0.27 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.06 1h0t h PHE 5 Cb 0.12 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 1h0t h PHE 5 CO 0.01 0.00 -0.34 -0.97 -0.60 0.00 0.00 178.31 176.41 1h0t h ASN 6 N 0.00 -1.01 0.31 2.17 -0.73 -1.86 -2.11 115.58 112.35 1h0t h ASN 6 Ca 0.05 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1h0t h ASN 6 Cb 0.24 0.39 0.00 0.00 0.27 0.00 0.00 38.32 39.22 1h0t h ASN 6 CO -0.00 -0.42 -0.76 1.17 -0.37 0.00 0.00 177.43 177.06 1h0t n LYS 7 N -5.43 0.04 -0.14 6.67 0.00 -1.13 -3.71 118.16 114.47 1h0t n LYS 7 Ca -0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.13 1h0t n LYS 7 Cb 0.34 -1.51 -0.00 0.00 0.00 0.00 0.00 35.03 33.85 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 0.97 -0.69 1.64 4.39 -0.79 0.69 114.58 120.78 1h0t h GLU 8 Ca 0.00 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.19 1h0t h GLU 8 Cb 0.53 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1h0t h GLU 8 CO 0.00 1.12 0.20 1.96 -1.16 0.00 0.00 179.01 181.13 1h0t h GLN 9 N 0.82 1.08 -0.31 2.33 4.20 -1.53 0.67 115.11 122.37 1h0t h GLN 9 Ca 0.09 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1h0t h GLN 9 Cb 0.87 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1h0t h GLN 9 CO 0.08 0.93 0.11 0.37 -0.67 0.00 0.00 178.83 179.65 1h0t h GLN 10 N 1.03 0.46 -0.17 1.46 5.75 -1.45 0.38 115.11 122.58 1h0t h GLN 10 Ca 0.22 -0.09 -0.13 0.00 -0.15 0.00 0.00 58.65 58.51 1h0t h GLN 10 Cb 0.31 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1h0t h GLN 10 CO -0.01 0.49 -0.39 -0.97 -2.65 0.00 0.00 178.83 175.31 1h0t h ASN 11 N 0.34 0.63 -0.46 -0.69 -1.24 0.68 -0.89 115.58 113.96 1h0t h ASN 11 Ca 0.10 -0.57 -0.04 0.00 0.71 0.00 0.00 56.30 56.51 1h0t h ASN 11 Cb 0.21 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 1h0t h ASN 11 CO -0.01 1.08 0.13 0.00 -1.29 0.00 0.00 177.43 177.35 1h0t h ALA 12 N 0.57 0.60 0.16 1.57 0.00 0.40 0.29 119.26 122.85 1h0t h ALA 12 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1h0t h ALA 12 Cb 0.99 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1h0t h ALA 12 CO 0.08 0.26 -0.17 0.35 0.00 0.00 0.00 179.25 179.78 1h0t h PHE 13 N 0.60 -0.43 0.05 0.00 3.57 -0.24 0.35 116.94 120.83 1h0t h PHE 13 Ca 0.15 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1h0t h PHE 13 Cb 0.28 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1h0t h PHE 13 CO 0.01 -0.25 -0.25 -0.92 -2.23 0.00 0.00 178.31 174.68 1h0t h TYR 14 N -0.36 -0.66 -0.69 0.41 3.20 -0.90 -0.48 116.97 117.49 1h0t h TYR 14 Ca 0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1h0t h TYR 14 Cb 0.34 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1h0t h TYR 14 CO -0.14 -0.34 0.44 0.93 -1.64 0.00 0.00 178.16 177.40 1h0t h GLU 15 N -0.41 0.93 -0.60 1.82 4.39 -0.19 0.24 114.58 120.76 1h0t h GLU 15 Ca 0.05 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.78 1h0t h GLU 15 Cb 0.47 -0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 28.84 1h0t h GLU 15 CO -0.19 0.64 0.20 0.82 -1.16 0.00 0.00 179.01 179.32 1h0t h ILE 16 N 0.94 0.73 -0.53 3.13 2.04 0.22 0.34 117.51 124.38 1h0t h ILE 16 Ca 0.25 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.87 1h0t h ILE 16 Cb -0.07 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1h0t h ILE 16 CO -0.05 0.07 -0.13 -0.07 0.00 0.00 0.00 178.15 177.97 1h0t h LEU 17 N 0.36 1.04 -0.21 1.44 3.38 -0.20 -3.10 115.31 118.02 1h0t h LEU 17 Ca 0.31 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h0t h LEU 17 Cb 0.40 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1h0t h LEU 17 CO -0.33 1.16 0.00 0.45 0.09 0.00 0.00 178.44 179.81 1h0t h HIS 18 N 0.91 0.00 -2.26 1.13 3.86 0.46 -3.46 115.15 115.79 1h0t h HIS 18 Ca 0.14 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.79 1h0t h HIS 18 Cb 0.70 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.19 1h0t h HIS 18 CO 0.05 0.00 1.22 1.28 0.86 0.00 0.00 177.93 181.34 1h0t n LEU 19 N -2.76 3.96 0.30 2.43 4.77 0.11 -4.88 117.00 120.93 1h0t n LEU 19 Ca 0.04 0.89 0.19 0.00 -0.03 0.00 0.00 56.01 57.10 1h0t n LEU 19 Cb 0.45 -1.49 0.89 0.00 -2.33 0.00 0.00 43.42 40.94 1h0t n LEU 19 CO 0.31 0.11 1.06 1.55 -1.33 0.00 0.00 177.39 179.09 1h0t h PRO 20 N 10.49 0.00 -0.18 3.23 0.13 -1.90 -3.09 132.00 140.69 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h0t h PRO 20 CO 0.94 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1h0t n ASN 21 N -3.11 2.61 -4.86 1.44 3.02 -1.26 -4.98 115.26 108.13 1h0t n ASN 21 Ca -0.01 -1.76 -0.31 0.00 -0.03 0.00 0.00 54.58 52.47 1h0t n ASN 21 Cb 0.22 -0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.17 3.83 0.00 3.41 1.43 -1.17 -4.77 118.68 120.23 1h0t s LEU 22 Ca 0.23 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1h0t s LEU 22 Cb 0.14 -4.15 -0.00 0.00 0.03 0.00 0.00 46.19 42.20 1h0t s LEU 22 CO 0.20 -0.41 0.02 -0.46 0.23 0.00 0.00 176.35 175.93 1h0t n ASN 23 N -1.18 1.45 -0.20 2.29 0.23 -1.26 -4.87 115.26 111.72 1h0t n ASN 23 Ca 0.04 -1.41 0.03 0.00 -0.53 0.00 0.00 54.58 52.71 1h0t n ASN 23 Cb 0.54 0.15 0.30 0.00 -2.08 0.00 0.00 39.78 38.68 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1h0t h GLU 24 N 0.00 0.87 -0.01 -3.83 4.57 -1.98 0.10 114.58 114.31 1h0t h GLU 24 Ca -0.07 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1h0t h GLU 24 Cb 0.23 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1h0t h GLU 24 CO 0.11 0.57 -0.02 1.49 -1.18 0.00 0.00 179.01 179.98 1h0t h GLU 25 N 0.89 0.03 0.06 1.92 4.81 -1.98 -2.62 114.58 117.69 1h0t h GLU 25 Ca 0.30 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1h0t h GLU 25 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1h0t h GLU 25 CO -0.09 0.67 -0.03 1.96 -0.73 0.00 0.00 179.01 180.80 1h0t h GLN 26 N -0.62 -0.08 -0.15 1.92 1.08 -1.91 -2.63 115.11 112.72 1h0t h GLN 26 Ca -0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1h0t h GLN 26 Cb 0.68 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1h0t h GLN 26 CO 0.00 0.41 0.07 -0.09 -0.95 0.00 0.00 178.83 178.28 1h0t h ARG 27 N -0.62 0.22 -0.40 1.46 2.43 -0.96 -2.04 114.38 114.46 1h0t h ARG 27 Ca -0.01 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1h0t h ARG 27 Cb 0.53 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1h0t h ARG 27 CO 0.01 0.28 0.01 -0.97 -1.51 0.00 0.00 179.97 177.79 1h0t h ASN 28 N 0.11 0.69 -0.87 -3.80 -1.24 -1.59 -1.47 115.58 107.41 1h0t h ASN 28 Ca 0.05 -0.30 0.06 0.00 0.71 0.00 0.00 56.30 56.82 1h0t h ASN 28 Cb 0.13 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 38.94 1h0t h ASN 28 CO -0.01 0.82 0.57 0.00 -1.29 0.00 0.00 177.43 177.52 1h0t h ALA 29 N 0.89 1.53 -0.40 1.57 0.00 -1.45 0.26 119.26 121.66 1h0t h ALA 29 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1h0t h ALA 29 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1h0t h ALA 29 CO 0.02 0.35 0.10 0.74 0.00 0.00 0.00 179.25 180.46 1h0t h PHE 30 N 1.00 0.67 0.00 0.00 0.04 -1.02 0.20 116.94 117.83 1h0t h PHE 30 Ca 0.37 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 61.00 1h0t h PHE 30 Cb 0.17 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1h0t h PHE 30 CO -0.00 0.64 -0.27 0.82 -0.60 0.00 0.00 178.31 178.90 1h0t h ILE 31 N 0.51 1.14 -0.07 -0.55 2.04 -0.15 0.61 117.51 121.03 1h0t h ILE 31 Ca 0.13 -0.94 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 1h0t h ILE 31 Cb 0.30 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1h0t h ILE 31 CO 0.00 0.27 -0.34 1.56 0.00 0.00 0.00 178.15 179.63 1h0t h GLN 32 N 0.00 0.36 -0.05 2.37 4.20 0.32 0.22 115.11 122.53 1h0t h GLN 32 Ca -0.00 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.31 1h0t h GLN 32 Cb 0.50 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1h0t h GLN 32 CO 0.04 0.93 -0.46 0.66 -0.67 0.00 0.00 178.83 179.32 1h0t h SER 33 N -0.12 0.13 0.06 1.46 4.64 -0.34 -1.73 113.55 117.66 1h0t h SER 33 Ca -0.02 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1h0t h SER 33 Cb 1.00 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1h0t h SER 33 CO 0.07 0.58 -0.60 0.25 -0.87 0.00 0.00 176.83 176.27 1h0t h LEU 34 N 0.10 0.41 -1.14 5.97 5.85 0.23 -0.39 115.31 126.34 1h0t h LEU 34 Ca 0.00 -0.87 -0.08 0.00 0.84 0.00 0.00 57.88 57.77 1h0t h LEU 34 Cb 0.86 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1h0t h LEU 34 CO 0.07 1.24 -0.27 0.11 -0.34 0.00 0.00 178.44 179.25 1h0t h LYS 35 N -0.36 0.26 0.01 1.25 1.79 -0.55 -3.27 116.57 115.71 1h0t h LYS 35 Ca -0.09 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 58.20 1h0t h LYS 35 Cb 1.39 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 1h0t h LYS 35 CO 0.11 0.52 -0.44 0.22 -1.08 0.00 0.00 179.45 178.78 1h0t h ASP 36 N 0.24 0.04 -3.75 0.86 3.58 -1.39 -3.44 116.42 112.55 1h0t h ASP 36 Ca 0.04 -0.86 -0.68 0.00 0.42 0.00 0.00 57.03 55.94 1h0t h ASP 36 Cb 0.60 -0.01 -0.32 0.00 1.72 0.00 0.00 39.33 41.32 1h0t h ASP 36 CO 0.04 1.18 -0.70 -0.62 -2.88 0.00 0.00 179.24 176.27 1h0t s ASP 37 N -6.46 4.90 0.21 2.28 2.15 -0.16 -4.99 116.67 114.60 1h0t s ASP 37 Ca -0.21 -1.24 0.02 0.00 0.43 0.00 0.00 52.55 51.54 1h0t s ASP 37 Cb -0.00 -1.72 0.18 0.00 -0.30 0.00 0.00 42.92 41.07 1h0t s ASP 37 CO 0.67 -0.26 1.52 1.55 -0.17 0.00 0.00 175.17 178.49 1h0t h PRO 38 N 8.02 0.34 -0.06 4.34 0.13 -1.82 -3.31 132.00 139.64 1h0t h PRO 38 Ca -0.22 -0.24 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1h0t h PRO 38 Cb 1.07 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1h0t h PRO 38 CO 0.54 0.85 -0.34 0.66 -0.23 0.00 0.00 178.00 179.48 1h0t h SER 39 N 0.25 0.12 -0.31 1.44 4.64 -1.94 -2.72 113.55 115.04 1h0t h SER 39 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1h0t h SER 39 Cb 1.15 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1h0t h SER 39 CO 0.10 0.46 0.00 0.00 -0.87 0.00 0.00 176.83 176.52 1h0t n GLN 40 N -4.11 1.75 -0.14 4.77 10.64 -1.25 -4.41 117.38 124.64 1h0t n GLN 40 Ca -0.02 -1.16 -0.05 0.00 -1.83 0.00 0.00 57.00 53.94 1h0t n GLN 40 Cb 0.40 -1.27 0.03 0.00 -0.86 0.00 0.00 30.24 28.55 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1h0t h SER 41 N 1.94 0.28 -0.22 2.61 4.64 -1.61 0.61 113.55 121.81 1h0t h SER 41 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1h0t h SER 41 Cb 0.44 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1h0t h SER 41 CO 0.00 0.20 0.11 0.00 -0.87 0.00 0.00 176.83 176.28 1h0t h ALA 42 N 1.25 0.28 -0.91 5.18 0.00 -1.82 -0.21 119.26 123.02 1h0t h ALA 42 Ca 0.19 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1h0t h ALA 42 Cb 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1h0t h ALA 42 CO -0.15 -0.18 0.59 -0.91 0.00 0.00 0.00 179.25 178.59 1h0t h ASN 43 N 0.23 0.88 -0.59 0.00 4.21 -1.73 0.31 115.58 118.89 1h0t h ASN 43 Ca 0.08 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 1h0t h ASN 43 Cb 0.09 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.09 1h0t h ASN 43 CO -0.01 0.54 0.26 -0.07 -1.29 0.00 0.00 177.43 176.86 1h0t h LEU 44 N 0.98 0.80 -0.13 1.61 3.38 0.10 0.68 115.31 122.74 1h0t h LEU 44 Ca 0.40 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1h0t h LEU 44 Cb 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h0t h LEU 44 CO -0.16 0.74 -0.03 0.25 0.09 0.00 0.00 178.44 179.32 1h0t h LEU 45 N 0.82 0.25 -0.69 1.67 5.85 0.14 0.18 115.31 123.53 1h0t h LEU 45 Ca 0.20 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.64 1h0t h LEU 45 Cb 0.17 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 1h0t h LEU 45 CO -0.02 0.57 0.33 0.00 -0.34 0.00 0.00 178.44 178.97 1h0t h ALA 46 N 0.69 0.95 -0.23 1.25 0.00 0.15 1.10 119.26 123.18 1h0t h ALA 46 Ca 0.03 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1h0t h ALA 46 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1h0t h ALA 46 CO 0.01 -0.09 -0.40 1.05 0.00 0.00 0.00 179.25 179.82 1h0t h GLU 47 N 0.55 0.53 -0.50 0.00 4.11 0.50 0.80 114.58 120.56 1h0t h GLU 47 Ca 0.35 -0.26 -0.09 0.00 0.07 0.00 0.00 59.36 59.42 1h0t h GLU 47 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1h0t h GLU 47 CO -0.28 0.84 -0.06 0.00 0.07 0.00 0.00 179.01 179.57 1h0t h ALA 48 N 1.13 0.94 -0.54 1.06 0.00 0.12 0.57 119.26 122.53 1h0t h ALA 48 Ca 0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1h0t h ALA 48 Cb 0.89 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1h0t h ALA 48 CO 0.08 0.63 0.08 0.87 0.00 0.00 0.00 179.25 180.90 1h0t h LYS 49 N 0.81 0.91 -0.86 0.00 1.79 0.17 0.22 116.57 119.61 1h0t h LYS 49 Ca 0.14 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 1h0t h LYS 49 Cb 0.57 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 1h0t h LYS 49 CO 0.03 0.88 0.44 -0.22 -1.08 0.00 0.00 179.45 179.51 1h0t h LYS 50 N 0.79 1.22 -0.20 3.15 3.64 0.11 -2.24 116.57 123.04 1h0t h LYS 50 Ca 0.16 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1h0t h LYS 50 Cb 0.42 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1h0t h LYS 50 CO 0.01 0.92 -0.57 -0.07 -2.27 0.00 0.00 179.45 177.46 1h0t h LEU 51 N 1.21 0.72 -0.85 5.20 4.07 0.67 -0.82 115.31 125.52 1h0t h LEU 51 Ca 0.30 -0.40 0.04 0.00 0.08 0.00 0.00 57.88 57.90 1h0t h LEU 51 Cb 0.08 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.56 1h0t h LEU 51 CO -0.04 1.14 0.54 -1.13 -1.08 0.00 0.00 178.44 177.87 1h0t h ASN 52 N 0.49 0.88 0.29 -0.43 -1.24 -0.06 0.28 115.58 115.79 1h0t h ASN 52 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 1h0t h ASN 52 Cb 1.14 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 40.02 1h0t h ASN 52 CO 0.11 0.59 -1.60 0.44 -1.29 0.00 0.00 177.43 175.69 1h0t h ASP 53 N 1.03 0.63 -0.01 1.15 3.32 -1.38 -2.39 116.42 118.77 1h0t h ASP 53 Ca 0.35 -0.82 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1h0t h ASP 53 Cb 0.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1h0t h ASP 53 CO -0.13 1.67 -0.00 0.00 -1.72 0.00 0.00 179.24 179.06 1h0t h ALA 54 N 0.23 0.01 0.00 3.45 0.00 -0.99 -3.02 119.26 118.94 1h0t h ALA 54 Ca -0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1h0t h ALA 54 Cb 2.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1h0t h ALA 54 CO 0.21 -0.29 -0.14 1.96 0.00 0.00 0.00 179.25 180.98 1h0t h GLN 55 N -0.38 0.00 -6.81 0.00 4.20 -0.60 -3.46 115.11 108.06 1h0t h GLN 55 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1h0t h GLN 55 Cb 0.40 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.35 1h0t h GLN 55 CO 0.00 0.14 0.05 0.00 -0.67 0.00 0.00 178.83 178.36 1h0t n ALA 56 N -2.18 -0.04 -1.77 3.87 0.00 -0.90 -4.95 120.51 114.53 1h0t n ALA 56 Ca 0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 1h0t n ALA 56 Cb 0.39 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 1h0t n ALA 56 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1h0t s PRO 57 N -2.75 3.89 0.00 0.00 0.04 -1.26 -5.00 135.00 129.91 1h0t s PRO 57 Ca 0.75 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1h0t s PRO 57 Cb -0.41 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1h0t s PRO 57 CO 0.48 -0.44 0.05 1.63 0.04 0.00 0.00 177.00 178.76