#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 7.11 0.44 6.55 2.15 -1.26 -5.04 116.67 126.61 1h0t s ASP 2 Ca 0.00 1.53 -0.24 0.00 0.43 0.00 0.00 52.55 54.27 1h0t s ASP 2 Cb 0.00 -2.46 -0.08 0.00 -0.30 0.00 0.00 42.92 40.08 1h0t s ASP 2 CO 0.00 -0.03 1.19 0.20 -0.17 0.00 0.00 175.17 176.35 1h0t s ASN 3 N -1.72 6.27 0.00 -0.34 -0.87 -1.26 -5.01 114.94 112.01 1h0t s ASN 3 Ca 0.47 2.37 0.00 0.00 -1.57 0.00 0.00 52.86 54.13 1h0t s ASN 3 Cb -0.16 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.46 1h0t s ASN 3 CO 0.21 -0.85 0.11 1.17 -2.57 0.00 0.00 177.10 175.17 1h0t n LYS 4 N -0.25 0.00 -0.04 -0.60 4.81 -1.26 -3.52 118.16 117.30 1h0t n LYS 4 Ca 0.06 0.29 -0.02 0.00 -0.87 0.00 0.00 58.31 57.77 1h0t n LYS 4 Cb 0.47 -0.86 0.22 0.00 0.02 0.00 0.00 35.03 34.88 1h0t n LYS 4 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1h0t h PHE 5 N 0.00 0.66 -0.09 5.64 0.04 -1.95 -0.67 116.94 120.56 1h0t h PHE 5 Ca 0.00 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.69 1h0t h PHE 5 Cb 0.00 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 1h0t h PHE 5 CO 0.02 0.66 0.01 -0.91 -0.60 0.00 0.00 178.31 177.49 1h0t h ASN 6 N 0.58 -0.02 1.18 2.17 4.21 -1.93 0.12 115.58 121.88 1h0t h ASN 6 Ca 0.11 0.02 -0.10 0.00 1.21 0.00 0.00 56.30 57.54 1h0t h ASN 6 Cb 0.45 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1h0t h ASN 6 CO 0.02 0.00 -0.48 0.50 -1.29 0.00 0.00 177.43 176.18 1h0t h LYS 7 N 0.04 0.00 -0.20 0.81 1.63 -1.59 -1.11 116.57 116.15 1h0t h LYS 7 Ca 0.04 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 1h0t h LYS 7 Cb 0.04 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1h0t h LYS 7 CO -0.07 0.48 -0.05 0.93 -3.45 0.00 0.00 179.45 177.30 1h0t h GLU 8 N 0.00 0.39 -0.69 1.90 4.39 -0.74 0.87 114.58 120.70 1h0t h GLU 8 Ca -0.00 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 1h0t h GLU 8 Cb 1.20 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1h0t h GLU 8 CO 0.06 0.64 0.24 1.96 -1.16 0.00 0.00 179.01 180.75 1h0t h GLN 9 N 0.11 1.04 -0.44 2.33 4.20 -0.77 0.64 115.11 122.23 1h0t h GLN 9 Ca 0.05 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1h0t h GLN 9 Cb 0.49 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1h0t h GLN 9 CO 0.02 0.88 0.19 0.37 -0.67 0.00 0.00 178.83 179.61 1h0t h GLN 10 N 1.01 0.64 -0.16 1.46 5.75 -0.69 0.62 115.11 123.74 1h0t h GLN 10 Ca 0.23 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.53 1h0t h GLN 10 Cb 0.25 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1h0t h GLN 10 CO -0.01 0.58 -0.25 -0.97 -2.65 0.00 0.00 178.83 175.52 1h0t h ASN 11 N 0.56 0.50 -0.58 -0.69 -1.24 0.12 0.18 115.58 114.43 1h0t h ASN 11 Ca 0.15 -0.53 -0.04 0.00 0.71 0.00 0.00 56.30 56.59 1h0t h ASN 11 Cb 0.17 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 1h0t h ASN 11 CO -0.01 0.93 0.21 0.00 -1.29 0.00 0.00 177.43 177.27 1h0t h ALA 12 N 0.58 0.76 0.61 1.57 0.00 0.38 0.36 119.26 123.52 1h0t h ALA 12 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1h0t h ALA 12 Cb 0.83 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1h0t h ALA 12 CO 0.06 0.40 -0.34 0.35 0.00 0.00 0.00 179.25 179.72 1h0t h PHE 13 N 0.82 -0.89 -0.21 0.00 3.57 0.28 0.36 116.94 120.86 1h0t h PHE 13 Ca 0.19 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1h0t h PHE 13 Cb 0.24 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1h0t h PHE 13 CO 0.01 -0.53 -0.15 -0.92 -2.23 0.00 0.00 178.31 174.49 1h0t h TYR 14 N -0.88 -0.39 -0.60 0.41 3.20 -0.75 -0.88 116.97 117.08 1h0t h TYR 14 Ca -0.08 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1h0t h TYR 14 Cb 0.70 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1h0t h TYR 14 CO -0.07 -0.22 0.37 0.93 -1.64 0.00 0.00 178.16 177.53 1h0t h GLU 15 N -0.15 0.80 -0.62 1.82 4.39 -0.09 0.49 114.58 121.22 1h0t h GLU 15 Ca 0.12 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.85 1h0t h GLU 15 Cb 0.34 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1h0t h GLU 15 CO -0.30 0.56 0.23 0.82 -1.16 0.00 0.00 179.01 179.17 1h0t h ILE 16 N 0.81 0.77 -0.28 3.13 2.04 0.38 0.51 117.51 124.87 1h0t h ILE 16 Ca 0.22 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.77 1h0t h ILE 16 Cb -0.05 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1h0t h ILE 16 CO -0.04 0.08 -0.47 -0.07 0.00 0.00 0.00 178.15 177.64 1h0t h LEU 17 N 0.42 0.80 -0.92 1.44 3.38 -0.39 -3.25 115.31 116.79 1h0t h LEU 17 Ca 0.31 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1h0t h LEU 17 Cb 0.38 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1h0t h LEU 17 CO -0.31 1.14 -0.02 1.41 0.09 0.00 0.00 178.44 180.76 1h0t n HIS 18 N -4.01 0.00 -2.12 1.13 8.25 0.16 -4.91 115.22 113.72 1h0t n HIS 18 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1h0t n HIS 18 Cb 0.57 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 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 -2.03 4.36 0.36 2.41 1.43 0.17 -4.90 118.68 120.47 1h0t s LEU 19 Ca 0.37 2.35 0.26 0.00 -1.03 0.00 0.00 54.13 56.08 1h0t s LEU 19 Cb 0.21 -3.58 1.27 0.00 0.03 0.00 0.00 46.19 44.12 1h0t s LEU 19 CO 0.35 -0.72 1.78 1.55 0.23 0.00 0.00 176.35 179.54 1h0t h PRO 20 N 7.13 0.00 0.00 1.29 0.13 -1.91 -2.99 132.00 135.66 1h0t h PRO 20 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1h0t h PRO 20 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h0t h PRO 20 CO 0.89 0.00 -0.01 0.09 -0.23 0.00 0.00 178.00 178.73 1h0t n ASN 21 N -2.40 1.98 -4.79 1.44 3.02 -1.26 -5.02 115.26 108.23 1h0t n ASN 21 Ca -0.00 -2.34 -0.38 0.00 -0.03 0.00 0.00 54.58 51.83 1h0t n ASN 21 Cb 0.11 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.59 4.38 0.00 3.41 1.43 -1.13 -4.68 118.68 120.50 1h0t s LEU 22 Ca 0.11 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1h0t s LEU 22 Cb 0.10 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1h0t s LEU 22 CO 0.01 0.21 0.15 -0.46 0.23 0.00 0.00 176.35 176.50 1h0t n ASN 23 N 2.57 1.64 0.23 2.29 6.94 -1.26 -4.82 115.26 122.85 1h0t n ASN 23 Ca -0.12 -1.70 0.06 0.00 -0.02 0.00 0.00 54.58 52.80 1h0t n ASN 23 Cb 0.52 -0.02 0.55 0.00 -2.36 0.00 0.00 39.78 38.47 1h0t n ASN 23 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1h0t h GLU 24 N 0.00 0.00 0.20 -3.83 9.09 -1.98 0.17 114.58 118.23 1h0t h GLU 24 Ca -0.13 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.27 1h0t h GLU 24 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1h0t h GLU 24 CO 0.20 0.15 -0.10 1.49 0.05 0.00 0.00 179.01 180.80 1h0t h GLU 25 N 0.00 -0.26 0.06 1.06 4.81 -1.98 -2.57 114.58 115.71 1h0t h GLU 25 Ca -0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1h0t h GLU 25 Cb 0.26 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1h0t h GLU 25 CO 0.02 0.13 -0.03 1.96 -0.73 0.00 0.00 179.01 180.36 1h0t h GLN 26 N -0.74 -0.08 -0.28 1.92 1.08 -1.92 -2.87 115.11 112.21 1h0t h GLN 26 Ca -0.03 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1h0t h GLN 26 Cb 0.50 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1h0t h GLN 26 CO 0.04 0.49 0.16 -0.09 -0.95 0.00 0.00 178.83 178.49 1h0t h ARG 27 N -0.77 0.32 -0.35 1.46 2.43 -0.82 -1.20 114.38 115.45 1h0t h ARG 27 Ca -0.01 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1h0t h ARG 27 Cb 0.61 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1h0t h ARG 27 CO 0.01 0.21 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.54 1h0t h ASN 28 N 0.33 0.81 -0.63 -3.80 2.35 -1.60 -2.14 115.58 110.91 1h0t h ASN 28 Ca 0.11 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1h0t h ASN 28 Cb 0.00 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1h0t h ASN 28 CO -0.06 1.07 0.35 0.00 -1.65 0.00 0.00 177.43 177.14 1h0t h ALA 29 N 0.77 1.39 -0.59 -0.83 0.00 -1.44 -1.90 119.26 116.66 1h0t h ALA 29 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1h0t h ALA 29 Cb 0.80 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1h0t h ALA 29 CO 0.06 0.50 0.29 0.74 0.00 0.00 0.00 179.25 180.84 1h0t h PHE 30 N 0.90 0.84 0.00 0.00 0.04 -0.99 -0.16 116.94 117.58 1h0t h PHE 30 Ca 0.23 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1h0t h PHE 30 Cb 0.03 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 1h0t h PHE 30 CO 0.01 0.63 -0.16 0.82 -0.60 0.00 0.00 178.31 179.01 1h0t h ILE 31 N 0.80 1.00 -0.08 -0.55 2.04 -0.71 0.74 117.51 120.74 1h0t h ILE 31 Ca 0.20 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 1h0t h ILE 31 Cb 0.10 1.31 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1h0t h ILE 31 CO -0.03 0.15 -0.38 1.56 0.00 0.00 0.00 178.15 179.45 1h0t h GLN 32 N 0.00 0.40 0.00 2.37 4.20 -0.47 -1.74 115.11 119.87 1h0t h GLN 32 Ca -0.00 -0.32 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 1h0t h GLN 32 Cb 0.30 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1h0t h GLN 32 CO 0.02 0.96 -0.54 0.66 -0.67 0.00 0.00 178.83 179.26 1h0t h SER 33 N -0.07 0.00 0.02 1.46 4.64 -0.60 -2.28 113.55 116.73 1h0t h SER 33 Ca -0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1h0t h SER 33 Cb 1.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1h0t h SER 33 CO 0.08 0.54 -0.24 0.25 -0.87 0.00 0.00 176.83 176.59 1h0t h LEU 34 N 0.00 0.18 -0.78 5.97 5.85 0.44 -0.58 115.31 126.39 1h0t h LEU 34 Ca -0.01 -0.85 -0.13 0.00 0.84 0.00 0.00 57.88 57.74 1h0t h LEU 34 Cb 1.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1h0t h LEU 34 CO 0.07 1.01 -0.55 0.11 -0.34 0.00 0.00 178.44 178.74 1h0t h LYS 35 N -0.62 0.17 -0.02 1.25 1.79 -1.40 -3.20 116.57 114.54 1h0t h LYS 35 Ca -0.03 -0.11 -0.15 0.00 -2.18 0.00 0.00 60.65 58.18 1h0t h LYS 35 Cb 1.06 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.73 1h0t h LYS 35 CO 0.05 0.68 -0.58 0.22 -1.08 0.00 0.00 179.45 178.74 1h0t h ASP 36 N 0.13 0.53 -3.68 0.86 3.58 -1.49 -3.42 116.42 112.93 1h0t h ASP 36 Ca -0.00 -0.74 -0.68 0.00 0.42 0.00 0.00 57.03 56.03 1h0t h ASP 36 Cb 1.01 -0.16 -0.36 0.00 1.72 0.00 0.00 39.33 41.54 1h0t h ASP 36 CO 0.08 1.20 -0.67 -0.62 -2.88 0.00 0.00 179.24 176.35 1h0t s ASP 37 N -6.72 4.91 0.18 2.28 -1.08 -0.22 -4.98 116.67 111.03 1h0t s ASP 37 Ca -0.13 -1.73 -0.08 0.00 -0.52 0.00 0.00 52.55 50.08 1h0t s ASP 37 Cb 0.04 -1.70 0.06 0.00 -1.46 0.00 0.00 42.92 39.85 1h0t s ASP 37 CO 0.82 -0.36 1.56 1.55 0.52 0.00 0.00 175.17 179.26 1h0t h PRO 38 N 7.89 0.91 -0.32 4.34 0.13 -1.82 -3.20 132.00 139.93 1h0t h PRO 38 Ca -0.14 -0.40 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 1h0t h PRO 38 Cb 1.04 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1h0t h PRO 38 CO 0.57 1.05 -0.13 0.77 -0.23 0.00 0.00 178.00 180.04 1h0t h SER 39 N 0.78 0.53 -0.02 1.44 0.02 -1.94 -2.64 113.55 111.73 1h0t h SER 39 Ca 0.10 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1h0t h SER 39 Cb 0.81 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1h0t h SER 39 CO 0.07 0.69 0.00 1.67 -1.14 0.00 0.00 176.83 178.12 1h0t n GLN 40 N -4.19 1.14 -0.09 3.45 7.27 -1.21 -4.30 117.38 119.44 1h0t n GLN 40 Ca 0.01 -0.20 -0.06 0.00 0.07 0.00 0.00 57.00 56.81 1h0t n GLN 40 Cb 0.33 -1.40 0.01 0.00 2.41 0.00 0.00 30.24 31.59 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 0.45 0.02 -0.46 1.69 4.64 -1.48 0.47 113.55 118.87 1h0t h SER 41 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1h0t h SER 41 Cb 0.10 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1h0t h SER 41 CO 0.00 0.05 0.27 0.00 -0.87 0.00 0.00 176.83 176.27 1h0t h ALA 42 N 1.24 0.59 -0.77 5.18 0.00 -1.82 0.21 119.26 123.89 1h0t h ALA 42 Ca 0.15 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1h0t h ALA 42 Cb 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1h0t h ALA 42 CO -0.20 0.09 0.51 -0.91 0.00 0.00 0.00 179.25 178.74 1h0t h ASN 43 N 0.61 0.78 -0.59 0.00 -0.26 -1.69 0.38 115.58 114.80 1h0t h ASN 43 Ca 0.16 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1h0t h ASN 43 Cb 0.02 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 1h0t h ASN 43 CO -0.03 0.52 0.07 -0.07 -1.06 0.00 0.00 177.43 176.86 1h0t h LEU 44 N 0.89 0.96 -0.29 1.61 3.38 0.11 0.70 115.31 122.68 1h0t h LEU 44 Ca 0.32 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1h0t h LEU 44 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1h0t h LEU 44 CO -0.10 1.00 -0.22 0.25 0.09 0.00 0.00 178.44 179.46 1h0t h LEU 45 N 0.90 0.69 -0.50 1.67 5.85 0.07 0.37 115.31 124.35 1h0t h LEU 45 Ca 0.18 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1h0t h LEU 45 Cb 0.46 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1h0t h LEU 45 CO 0.02 0.99 0.24 0.00 -0.34 0.00 0.00 178.44 179.35 1h0t h ALA 46 N 0.72 0.64 -0.22 1.25 0.00 0.22 0.95 119.26 122.83 1h0t h ALA 46 Ca 0.05 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1h0t h ALA 46 Cb 0.76 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1h0t h ALA 46 CO 0.06 -0.11 -0.45 1.05 0.00 0.00 0.00 179.25 179.79 1h0t h GLU 47 N 0.47 0.55 -0.47 0.00 4.11 0.52 0.89 114.58 120.65 1h0t h GLU 47 Ca 0.23 -0.30 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 1h0t h GLU 47 Cb 0.16 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1h0t h GLU 47 CO -0.17 0.89 -0.04 0.00 0.07 0.00 0.00 179.01 179.76 1h0t h ALA 48 N 1.06 1.03 -0.07 1.06 0.00 0.73 0.51 119.26 123.58 1h0t h ALA 48 Ca 0.03 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1h0t h ALA 48 Cb 0.96 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1h0t h ALA 48 CO 0.09 0.59 -0.76 0.87 0.00 0.00 0.00 179.25 180.04 1h0t h LYS 49 N 0.75 0.41 -0.79 0.00 1.57 0.13 0.12 116.57 118.76 1h0t h LYS 49 Ca 0.14 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1h0t h LYS 49 Cb 0.52 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 1h0t h LYS 49 CO 0.03 1.00 0.40 -0.22 -0.57 0.00 0.00 179.45 180.08 1h0t h LYS 50 N 0.27 1.11 -0.18 3.15 3.64 0.13 -1.43 116.57 123.25 1h0t h LYS 50 Ca -0.04 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.04 1h0t h LYS 50 Cb 1.35 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1h0t h LYS 50 CO 0.13 0.83 -0.56 -0.07 -2.27 0.00 0.00 179.45 177.52 1h0t h LEU 51 N 1.11 0.63 -0.72 5.20 4.07 0.39 -1.17 115.31 124.81 1h0t h LEU 51 Ca 0.27 -0.34 0.04 0.00 0.08 0.00 0.00 57.88 57.94 1h0t h LEU 51 Cb 0.07 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.58 1h0t h LEU 51 CO -0.04 1.06 0.44 -1.13 -1.08 0.00 0.00 178.44 177.68 1h0t h ASN 52 N 0.43 0.70 0.30 -0.43 -1.24 0.25 0.45 115.58 116.04 1h0t h ASN 52 Ca 0.01 0.01 -0.33 0.00 0.71 0.00 0.00 56.30 56.69 1h0t h ASN 52 Cb 1.11 -0.13 0.03 0.00 0.73 0.00 0.00 38.32 40.06 1h0t h ASN 52 CO 0.11 0.47 -1.48 0.44 -1.29 0.00 0.00 177.43 175.68 1h0t h ASP 53 N 0.83 0.79 -0.34 1.15 3.32 -1.32 -2.10 116.42 118.76 1h0t h ASP 53 Ca 0.30 -0.86 -0.08 0.00 0.02 0.00 0.00 57.03 56.41 1h0t h ASP 53 Cb 0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1h0t h ASP 53 CO -0.14 1.68 -0.10 0.00 -1.72 0.00 0.00 179.24 178.96 1h0t h ALA 54 N 0.20 0.47 -0.01 3.45 0.00 -1.00 -2.83 119.26 119.54 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 2.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1h0t h ALA 54 CO 0.26 0.32 -0.03 1.04 0.00 0.00 0.00 179.25 180.85 1h0t n GLN 55 N -4.41 1.17 -1.52 0.00 6.02 0.16 -4.92 117.38 113.87 1h0t n GLN 55 Ca -0.02 -0.43 -0.33 0.00 -0.01 0.00 0.00 57.00 56.21 1h0t n GLN 55 Cb 0.35 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.13 2.28 0.51 -1.58 0.00 -0.79 -4.98 121.76 115.07 1h0t s ALA 56 Ca 0.39 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 1h0t s ALA 56 Cb 0.21 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 1h0t s ALA 56 CO 0.39 -1.61 1.08 -1.25 0.00 0.00 0.00 175.76 174.37 1h0t s PRO 57 N -4.24 3.62 0.00 0.00 0.04 -1.26 -5.02 135.00 128.13 1h0t s PRO 57 Ca 0.67 1.49 0.29 0.00 0.04 0.00 0.00 61.00 63.49 1h0t s PRO 57 Cb -0.22 -2.08 1.17 0.00 0.04 0.00 0.00 34.50 33.41 1h0t s PRO 57 CO 0.46 -0.61 1.81 1.17 0.04 0.00 0.00 177.00 179.88