#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 1.08 -4.80 4.52 3.32 -2.04 -3.44 116.42 115.05 1h0t h ASP 2 Ca 0.00 -0.16 -0.24 0.00 0.02 0.00 0.00 57.03 56.65 1h0t h ASP 2 Cb 0.00 -0.28 -0.20 0.00 0.22 0.00 0.00 39.33 39.07 1h0t h ASP 2 CO 0.00 0.94 -0.72 0.21 -1.72 0.00 0.00 179.24 177.96 1h0t s ASN 3 N -6.31 0.78 0.29 6.45 3.84 -1.26 -5.06 114.94 113.67 1h0t s ASN 3 Ca -0.12 -0.65 -0.03 0.00 0.21 0.00 0.00 52.86 52.27 1h0t s ASN 3 Cb 0.16 0.07 0.40 0.00 -0.55 0.00 0.00 41.25 41.32 1h0t s ASN 3 CO 0.83 -0.29 1.94 0.07 -2.79 0.00 0.00 177.10 176.87 1h0t h LYS 4 N 4.18 1.11 -0.02 0.43 2.10 -2.03 -2.64 116.57 119.70 1h0t h LYS 4 Ca -0.35 -0.08 0.01 0.00 -2.00 0.00 0.00 60.65 58.22 1h0t h LYS 4 Cb 1.19 -0.24 -0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1h0t h LYS 4 CO 0.46 0.76 0.02 0.74 -2.00 0.00 0.00 179.45 179.44 1h0t h PHE 5 N 1.13 0.00 -0.17 0.07 0.04 -1.96 0.01 116.94 116.06 1h0t h PHE 5 Ca 0.30 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.12 1h0t h PHE 5 Cb -0.08 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.01 1h0t h PHE 5 CO 0.00 0.00 -0.25 -0.91 -0.60 0.00 0.00 178.31 176.55 1h0t h ASN 6 N 0.00 -0.78 0.29 2.17 -0.26 -1.85 -2.63 115.58 112.52 1h0t h ASN 6 Ca 0.01 0.13 -0.26 0.00 -0.56 0.00 0.00 56.30 55.62 1h0t h ASN 6 Cb 0.06 0.35 -0.05 0.00 -1.06 0.00 0.00 38.32 37.62 1h0t h ASN 6 CO -0.00 -0.29 -1.95 1.17 -1.06 0.00 0.00 177.43 175.30 1h0t n LYS 7 N -5.37 0.66 -0.21 0.81 4.81 -1.13 -4.30 118.16 113.43 1h0t n LYS 7 Ca -0.02 0.10 0.13 0.00 -0.87 0.00 0.00 58.31 57.65 1h0t n LYS 7 Cb 0.29 -1.66 0.44 0.00 0.02 0.00 0.00 35.03 34.12 1h0t n LYS 7 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1h0t h GLU 8 N 0.00 0.54 -0.61 1.64 4.39 -0.95 0.67 114.58 120.27 1h0t h GLU 8 Ca -0.33 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.26 1h0t h GLU 8 Cb 1.90 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.40 1h0t h GLU 8 CO 0.04 0.36 0.09 1.96 -1.16 0.00 0.00 179.01 180.30 1h0t h GLN 9 N 0.55 1.01 0.03 2.33 4.20 -1.65 0.48 115.11 122.07 1h0t h GLN 9 Ca 0.40 -0.28 -0.25 0.00 0.06 0.00 0.00 58.65 58.58 1h0t h GLN 9 Cb 0.75 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.43 1h0t h GLN 9 CO -0.15 0.95 -1.05 -0.56 -0.67 0.00 0.00 178.83 177.35 1h0t h GLN 10 N 0.92 0.48 -0.41 1.46 -0.00 -1.12 0.25 115.11 116.69 1h0t h GLN 10 Ca 0.18 -0.57 -0.06 0.00 -0.00 0.00 0.00 58.65 58.20 1h0t h GLN 10 Cb 0.44 0.17 -0.02 0.00 -0.00 0.00 0.00 27.48 28.08 1h0t h GLN 10 CO 0.01 1.21 0.01 -0.97 -0.00 0.00 0.00 178.83 179.09 1h0t h ASN 11 N 0.25 0.70 -0.30 0.06 -1.24 0.38 0.57 115.58 116.01 1h0t h ASN 11 Ca -0.11 -0.30 -0.07 0.00 0.71 0.00 0.00 56.30 56.53 1h0t h ASN 11 Cb 1.70 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.55 1h0t h ASN 11 CO 0.19 0.83 -0.09 0.00 -1.29 0.00 0.00 177.43 177.06 1h0t h ALA 12 N 0.90 0.41 0.35 1.57 0.00 -0.05 0.26 119.26 122.69 1h0t h ALA 12 Ca 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1h0t h ALA 12 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1h0t h ALA 12 CO 0.02 0.26 -0.30 0.35 0.00 0.00 0.00 179.25 179.58 1h0t h PHE 13 N 0.35 -0.79 0.07 0.00 3.57 -0.30 0.27 116.94 120.12 1h0t h PHE 13 Ca 0.07 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1h0t h PHE 13 Cb 0.59 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1h0t h PHE 13 CO 0.05 -0.43 -0.27 -0.92 -2.23 0.00 0.00 178.31 174.51 1h0t h TYR 14 N -0.66 -0.74 -0.88 0.41 3.20 0.22 -0.67 116.97 117.85 1h0t h TYR 14 Ca -0.02 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1h0t h TYR 14 Cb 0.58 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 1h0t h TYR 14 CO -0.16 -0.37 0.56 0.93 -1.64 0.00 0.00 178.16 177.47 1h0t h GLU 15 N -0.46 1.02 -0.41 1.82 4.39 -0.30 0.66 114.58 121.30 1h0t h GLU 15 Ca 0.04 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1h0t h GLU 15 Cb 0.51 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 1h0t h GLU 15 CO -0.19 0.67 0.14 0.82 -1.16 0.00 0.00 179.01 179.29 1h0t h ILE 16 N 1.05 0.86 -0.44 3.13 2.04 0.23 0.64 117.51 125.01 1h0t h ILE 16 Ca 0.37 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 66.00 1h0t h ILE 16 Cb 0.09 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1h0t h ILE 16 CO -0.15 0.05 -0.22 -0.07 0.00 0.00 0.00 178.15 177.76 1h0t h LEU 17 N 0.29 0.92 -0.46 1.44 3.38 0.09 -3.04 115.31 117.93 1h0t h LEU 17 Ca 0.19 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1h0t h LEU 17 Cb 0.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1h0t h LEU 17 CO -0.21 1.10 -0.01 1.41 0.09 0.00 0.00 178.44 180.82 1h0t n HIS 18 N -4.11 0.00 -2.22 1.13 8.25 0.22 -4.86 115.22 113.63 1h0t n HIS 18 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1h0t n HIS 18 Cb 0.45 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 1h0t n HIS 18 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1h0t s LEU 19 N -2.06 4.31 0.58 2.41 1.43 0.22 -4.90 118.68 120.67 1h0t s LEU 19 Ca 0.41 2.10 0.39 0.00 -1.03 0.00 0.00 54.13 56.00 1h0t s LEU 19 Cb 0.21 -3.56 1.98 0.00 0.03 0.00 0.00 46.19 44.86 1h0t s LEU 19 CO 0.37 -0.74 2.17 1.55 0.23 0.00 0.00 176.35 179.93 1h0t h PRO 20 N 8.00 0.00 -0.11 1.29 0.13 -1.89 -2.91 132.00 136.51 1h0t h PRO 20 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1h0t h PRO 20 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1h0t h PRO 20 CO 0.91 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 1h0t n ASN 21 N -2.95 2.04 -4.74 1.44 3.02 -1.26 -4.98 115.26 107.84 1h0t n ASN 21 Ca -0.02 -1.62 -0.39 0.00 -0.03 0.00 0.00 54.58 52.52 1h0t n ASN 21 Cb 0.13 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.78 4.39 0.00 3.41 1.43 -1.10 -4.80 118.68 121.23 1h0t s LEU 22 Ca 0.11 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 1h0t s LEU 22 Cb 0.07 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.28 1h0t s LEU 22 CO 0.09 0.01 0.32 -0.46 0.23 0.00 0.00 176.35 176.54 1h0t n ASN 23 N 3.11 1.78 -0.26 2.29 0.23 -1.26 -4.75 115.26 116.40 1h0t n ASN 23 Ca -0.04 -2.06 0.07 0.00 -0.53 0.00 0.00 54.58 52.02 1h0t n ASN 23 Cb 0.51 -0.10 0.31 0.00 -2.08 0.00 0.00 39.78 38.41 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 0.84 -0.02 -3.83 4.57 -1.98 0.22 114.58 114.38 1h0t h GLU 24 Ca -0.19 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.89 1h0t h GLU 24 Cb 0.75 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1h0t h GLU 24 CO 0.29 0.56 -0.16 1.49 -1.18 0.00 0.00 179.01 180.01 1h0t h GLU 25 N 0.86 0.14 0.12 1.92 4.81 -1.98 -2.57 114.58 117.88 1h0t h GLU 25 Ca 0.38 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1h0t h GLU 25 Cb 0.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1h0t h GLU 25 CO -0.15 0.82 -0.06 1.96 -0.73 0.00 0.00 179.01 180.86 1h0t h GLN 26 N -0.50 -0.15 -0.46 1.92 1.08 -1.87 -1.93 115.11 113.20 1h0t h GLN 26 Ca -0.02 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1h0t h GLN 26 Cb 0.86 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.30 1h0t h GLN 26 CO 0.03 0.27 0.29 -0.09 -0.95 0.00 0.00 178.83 178.38 1h0t h ARG 27 N -0.62 0.57 -0.05 1.46 2.43 -0.73 -1.06 114.38 116.37 1h0t h ARG 27 Ca -0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1h0t h ARG 27 Cb 0.49 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1h0t h ARG 27 CO 0.03 0.38 0.00 -0.97 -1.51 0.00 0.00 179.97 177.90 1h0t h ASN 28 N 0.59 0.08 -0.60 -3.80 -0.73 -1.53 -0.00 115.58 109.58 1h0t h ASN 28 Ca 0.18 -0.28 0.05 0.00 1.87 0.00 0.00 56.30 58.12 1h0t h ASN 28 Cb -0.03 -0.02 -0.04 0.00 0.27 0.00 0.00 38.32 38.51 1h0t h ASN 28 CO -0.06 0.34 0.40 0.00 -0.37 0.00 0.00 177.43 177.74 1h0t h ALA 29 N 0.74 1.79 -0.27 1.57 0.00 -1.29 0.19 119.26 121.99 1h0t h ALA 29 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1h0t h ALA 29 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h0t h ALA 29 CO 0.00 0.12 0.01 0.74 0.00 0.00 0.00 179.25 180.13 1h0t h PHE 30 N 0.61 0.51 0.00 0.00 -1.00 -0.88 -0.80 116.94 115.37 1h0t h PHE 30 Ca 0.26 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.92 1h0t h PHE 30 Cb 0.24 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 1h0t h PHE 30 CO -0.00 0.61 -0.13 0.82 -1.61 0.00 0.00 178.31 178.00 1h0t h ILE 31 N 0.26 0.91 -0.02 -0.55 2.04 0.48 0.60 117.51 121.24 1h0t h ILE 31 Ca 0.08 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1h0t h ILE 31 Cb 0.40 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1h0t h ILE 31 CO 0.01 0.13 -0.02 1.56 0.00 0.00 0.00 178.15 179.83 1h0t h GLN 32 N 0.00 0.04 0.00 2.37 4.20 0.02 0.32 115.11 122.06 1h0t h GLN 32 Ca -0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1h0t h GLN 32 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1h0t h GLN 32 CO 0.02 0.57 -0.30 0.66 -0.67 0.00 0.00 178.83 179.10 1h0t h SER 33 N -0.47 0.00 0.09 1.46 4.64 -0.69 -1.24 113.55 117.34 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 0.56 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1h0t h SER 33 CO 0.01 0.30 -0.64 0.25 -0.87 0.00 0.00 176.83 175.87 1h0t h LEU 34 N 0.00 0.40 -0.37 5.97 5.85 0.28 -0.92 115.31 126.52 1h0t h LEU 34 Ca -0.00 -0.92 -0.17 0.00 0.84 0.00 0.00 57.88 57.63 1h0t h LEU 34 Cb 0.58 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1h0t h LEU 34 CO 0.04 1.29 -0.43 0.11 -0.34 0.00 0.00 178.44 179.11 1h0t h LYS 35 N -0.42 0.92 -0.00 1.25 1.57 -0.32 -3.20 116.57 116.36 1h0t h LYS 35 Ca -0.11 -0.51 -0.23 0.00 -1.87 0.00 0.00 60.65 57.93 1h0t h LYS 35 Cb 1.47 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.82 1h0t h LYS 35 CO 0.12 1.16 -0.95 -0.44 -0.57 0.00 0.00 179.45 178.77 1h0t h ASP 36 N 0.74 0.59 -3.64 0.86 3.32 -1.36 -3.41 116.42 113.52 1h0t h ASP 36 Ca 0.05 -0.47 -0.67 0.00 0.02 0.00 0.00 57.03 55.95 1h0t h ASP 36 Cb 1.03 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 40.03 1h0t h ASP 36 CO 0.10 1.27 -0.67 -0.62 -1.72 0.00 0.00 179.24 177.60 1h0t s ASP 37 N -7.11 4.92 0.14 6.45 -1.08 -0.35 -4.99 116.67 114.67 1h0t s ASP 37 Ca -0.06 -1.97 -0.11 0.00 -0.52 0.00 0.00 52.55 49.88 1h0t s ASP 37 Cb 0.09 -1.70 -0.02 0.00 -1.46 0.00 0.00 42.92 39.83 1h0t s ASP 37 CO 0.87 -0.41 1.52 1.55 0.52 0.00 0.00 175.17 179.22 1h0t h PRO 38 N 7.81 0.92 0.00 4.34 0.13 -1.81 -3.24 132.00 140.16 1h0t h PRO 38 Ca -0.10 -0.41 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 1h0t h PRO 38 Cb 1.03 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1h0t h PRO 38 CO 0.58 1.07 -0.41 0.66 -0.23 0.00 0.00 178.00 179.67 1h0t h SER 39 N 0.76 0.00 -0.01 1.44 4.64 -1.94 -2.85 113.55 115.58 1h0t h SER 39 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1h0t h SER 39 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1h0t h SER 39 CO 0.07 0.41 0.00 1.67 -0.87 0.00 0.00 176.83 178.10 1h0t n GLN 40 N -3.95 1.10 -0.17 4.77 7.27 -1.22 -4.31 117.38 120.87 1h0t n GLN 40 Ca -0.02 -0.15 -0.03 0.00 0.07 0.00 0.00 57.00 56.88 1h0t n GLN 40 Cb 0.45 -1.38 0.07 0.00 2.41 0.00 0.00 30.24 31.78 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1h0t h SER 41 N 0.32 0.25 -0.22 1.69 4.64 -1.59 0.45 113.55 119.10 1h0t h SER 41 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1h0t h SER 41 Cb 0.07 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1h0t h SER 41 CO 0.00 0.17 0.10 0.00 -0.87 0.00 0.00 176.83 176.24 1h0t h ALA 42 N 1.33 0.28 -0.74 5.18 0.00 -1.81 0.11 119.26 123.60 1h0t h ALA 42 Ca 0.25 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1h0t h ALA 42 Cb 0.23 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1h0t h ALA 42 CO -0.22 -0.16 0.49 -0.91 0.00 0.00 0.00 179.25 178.44 1h0t h ASN 43 N 0.22 0.71 -0.45 0.00 -0.26 -1.73 0.35 115.58 114.42 1h0t h ASN 43 Ca 0.07 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1h0t h ASN 43 Cb 0.12 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 1h0t h ASN 43 CO -0.01 0.47 0.06 -0.07 -1.06 0.00 0.00 177.43 176.82 1h0t h LEU 44 N 0.82 0.72 -0.09 1.61 3.38 0.79 0.66 115.31 123.20 1h0t h LEU 44 Ca 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1h0t h LEU 44 Cb 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1h0t h LEU 44 CO -0.10 0.81 -0.01 0.25 0.09 0.00 0.00 178.44 179.47 1h0t h LEU 45 N 0.61 0.17 -0.69 1.67 5.85 0.26 0.18 115.31 123.36 1h0t h LEU 45 Ca 0.13 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1h0t h LEU 45 Cb 0.40 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1h0t h LEU 45 CO 0.01 0.47 0.28 0.00 -0.34 0.00 0.00 178.44 178.86 1h0t h ALA 46 N 0.71 0.94 -0.20 1.25 0.00 -0.00 1.06 119.26 123.02 1h0t h ALA 46 Ca 0.03 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1h0t h ALA 46 Cb 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1h0t h ALA 46 CO 0.01 -0.17 -0.39 1.05 0.00 0.00 0.00 179.25 179.75 1h0t h GLU 47 N 0.46 0.45 -0.51 0.00 4.11 0.49 0.73 114.58 120.32 1h0t h GLU 47 Ca 0.36 -0.22 -0.11 0.00 0.07 0.00 0.00 59.36 59.46 1h0t h GLU 47 Cb 0.48 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1h0t h GLU 47 CO -0.34 0.77 -0.12 0.00 0.07 0.00 0.00 179.01 179.39 1h0t h ALA 48 N 1.21 0.82 -0.66 1.06 0.00 0.18 0.81 119.26 122.68 1h0t h ALA 48 Ca 0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1h0t h ALA 48 Cb 0.85 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1h0t h ALA 48 CO 0.07 0.66 0.14 0.87 0.00 0.00 0.00 179.25 180.99 1h0t h LYS 49 N 0.85 1.08 -0.70 0.00 1.79 0.15 0.29 116.57 120.03 1h0t h LYS 49 Ca 0.13 -0.27 -0.07 0.00 -2.18 0.00 0.00 60.65 58.26 1h0t h LYS 49 Cb 0.67 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 1h0t h LYS 49 CO 0.05 0.97 0.15 -0.22 -1.08 0.00 0.00 179.45 179.32 1h0t h LYS 50 N 1.00 1.14 -0.21 3.15 3.64 0.96 -2.47 116.57 123.77 1h0t h LYS 50 Ca 0.21 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1h0t h LYS 50 Cb 0.39 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1h0t h LYS 50 CO 0.01 1.01 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.72 1h0t h LEU 51 N 1.07 0.53 -0.73 5.20 4.07 0.13 -0.84 115.31 124.75 1h0t h LEU 51 Ca 0.22 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.97 1h0t h LEU 51 Cb 0.40 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 1h0t h LEU 51 CO 0.01 0.88 0.47 -1.13 -1.08 0.00 0.00 178.44 177.58 1h0t h ASN 52 N 0.41 0.78 0.33 -0.43 -1.24 0.01 0.45 115.58 115.88 1h0t h ASN 52 Ca 0.04 -0.01 -0.33 0.00 0.71 0.00 0.00 56.30 56.71 1h0t h ASN 52 Cb 0.89 -0.18 0.02 0.00 0.73 0.00 0.00 38.32 39.79 1h0t h ASN 52 CO 0.08 0.55 -1.50 0.44 -1.29 0.00 0.00 177.43 175.70 1h0t h ASP 53 N 0.92 0.70 -0.32 1.15 3.32 -1.40 -2.12 116.42 118.68 1h0t h ASP 53 Ca 0.28 -0.81 -0.08 0.00 0.02 0.00 0.00 57.03 56.44 1h0t h ASP 53 Cb -0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1h0t h ASP 53 CO -0.09 1.65 -0.11 0.00 -1.72 0.00 0.00 179.24 178.97 1h0t h ALA 54 N 0.25 0.44 -0.08 3.45 0.00 -0.99 -2.86 119.26 119.47 1h0t h ALA 54 Ca -0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1h0t h ALA 54 Cb 2.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1h0t h ALA 54 CO 0.24 0.31 0.00 1.04 0.00 0.00 0.00 179.25 180.84 1h0t n GLN 55 N -4.41 1.53 -1.79 0.00 6.02 0.15 -4.94 117.38 113.94 1h0t n GLN 55 Ca -0.03 -0.78 -0.34 0.00 -0.01 0.00 0.00 57.00 55.84 1h0t n GLN 55 Cb 0.35 -1.42 0.05 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.91 2.43 0.33 -1.58 0.00 -0.80 -4.95 121.76 115.29 1h0t s ALA 56 Ca 0.35 0.73 0.12 0.00 0.00 0.00 0.00 51.96 53.16 1h0t s ALA 56 Cb 0.18 -3.38 0.57 0.00 0.00 0.00 0.00 23.12 20.50 1h0t s ALA 56 CO 0.29 -1.33 1.74 -1.00 0.00 0.00 0.00 175.76 175.46 1h0t h PRO 57 N 0.24 0.01 -0.02 0.00 0.13 -1.88 -3.49 132.00 126.98 1h0t h PRO 57 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h0t h PRO 57 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1h0t h PRO 57 CO 0.54 0.48 0.00 1.17 -0.23 0.00 0.00 178.00 179.95