#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 0.28 -0.56 4.52 -4.77 -1.26 -5.11 116.67 109.77 1h0t s ASP 2 Ca 0.00 -1.18 -0.22 0.00 -3.30 0.00 0.00 52.55 47.84 1h0t s ASP 2 Cb 0.00 0.60 0.05 0.00 -1.09 0.00 0.00 42.92 42.48 1h0t s ASP 2 CO 0.00 -1.18 0.87 0.21 0.70 0.00 0.00 175.17 175.77 1h0t s ASN 3 N -3.11 6.27 0.00 2.11 2.47 -1.26 -4.75 114.94 116.67 1h0t s ASN 3 Ca 0.27 -0.64 0.00 0.00 0.42 0.00 0.00 52.86 52.91 1h0t s ASN 3 Cb 0.00 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1h0t s ASN 3 CO 0.13 -1.19 0.00 2.29 -3.72 0.00 0.00 177.10 174.61 1h0t n LYS 4 N 7.18 0.00 0.17 0.43 2.85 -1.26 -4.86 118.16 122.67 1h0t n LYS 4 Ca -0.02 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.34 1h0t n LYS 4 Cb 0.46 -0.29 0.62 0.00 -0.65 0.00 0.00 35.03 35.17 1h0t n LYS 4 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1h0t h PHE 5 N 0.00 0.08 -0.24 5.58 0.04 -1.86 -1.78 116.94 118.75 1h0t h PHE 5 Ca 0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 1h0t h PHE 5 Cb 0.23 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 1h0t h PHE 5 CO 0.00 0.05 -0.24 -0.91 -0.60 0.00 0.00 178.31 176.61 1h0t h ASN 6 N 0.08 -0.77 0.95 2.17 4.21 -1.89 0.20 115.58 120.53 1h0t h ASN 6 Ca 0.08 0.14 -0.18 0.00 1.21 0.00 0.00 56.30 57.55 1h0t h ASN 6 Cb 0.21 0.36 -0.03 0.00 -1.12 0.00 0.00 38.32 37.74 1h0t h ASN 6 CO -0.01 -0.28 -1.12 0.50 -1.29 0.00 0.00 177.43 175.24 1h0t h LYS 7 N -0.25 0.00 -0.97 0.81 3.64 -1.88 -3.04 116.57 114.88 1h0t h LYS 7 Ca 0.14 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1h0t h LYS 7 Cb 0.46 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1h0t h LYS 7 CO -0.38 0.53 0.64 0.93 -2.27 0.00 0.00 179.45 178.89 1h0t h GLU 8 N 0.00 1.22 -0.67 1.90 4.39 -0.96 1.05 114.58 121.52 1h0t h GLU 8 Ca -0.11 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 1h0t h GLU 8 Cb 1.64 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 1h0t h GLU 8 CO 0.07 0.81 0.12 1.96 -1.16 0.00 0.00 179.01 180.81 1h0t h GLN 9 N 1.25 1.09 -0.22 2.33 4.20 -1.03 0.42 115.11 123.15 1h0t h GLN 9 Ca 0.38 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1h0t h GLN 9 Cb -0.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1h0t h GLN 9 CO -0.11 0.99 0.07 0.37 -0.67 0.00 0.00 178.83 179.48 1h0t h GLN 10 N 1.03 0.34 -0.25 1.46 4.15 -0.60 0.54 115.11 121.77 1h0t h GLN 10 Ca 0.21 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 1h0t h GLN 10 Cb 0.42 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1h0t h GLN 10 CO 0.01 0.44 -0.19 -0.97 -1.93 0.00 0.00 178.83 176.19 1h0t h ASN 11 N 0.18 0.60 -0.54 -0.69 -1.24 0.12 0.89 115.58 114.91 1h0t h ASN 11 Ca 0.07 -0.45 -0.04 0.00 0.71 0.00 0.00 56.30 56.59 1h0t h ASN 11 Cb 0.24 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1h0t h ASN 11 CO -0.00 0.92 0.17 0.00 -1.29 0.00 0.00 177.43 177.23 1h0t h ALA 12 N 0.70 0.71 0.54 1.57 0.00 -0.09 0.34 119.26 123.02 1h0t h ALA 12 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1h0t h ALA 12 Cb 0.72 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1h0t h ALA 12 CO 0.05 0.37 -0.31 0.35 0.00 0.00 0.00 179.25 179.71 1h0t h PHE 13 N 0.75 -0.81 -0.01 0.00 3.57 0.17 0.36 116.94 120.97 1h0t h PHE 13 Ca 0.17 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1h0t h PHE 13 Cb 0.28 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 1h0t h PHE 13 CO 0.02 -0.48 -0.35 -0.92 -2.23 0.00 0.00 178.31 174.35 1h0t h TYR 14 N -0.79 -0.97 -0.71 0.41 3.20 -0.62 -0.43 116.97 117.05 1h0t h TYR 14 Ca -0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1h0t h TYR 14 Cb 0.64 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 1h0t h TYR 14 CO -0.08 -0.44 0.44 0.93 -1.64 0.00 0.00 178.16 177.37 1h0t h GLU 15 N -0.50 0.84 -0.30 1.82 4.39 -0.20 0.14 114.58 120.77 1h0t h GLU 15 Ca 0.06 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1h0t h GLU 15 Cb 0.59 -0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 1h0t h GLU 15 CO -0.29 0.56 -0.12 0.82 -1.16 0.00 0.00 179.01 178.82 1h0t h ILE 16 N 0.87 0.61 -0.78 3.13 2.04 0.44 0.50 117.51 124.32 1h0t h ILE 16 Ca 0.28 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.10 1h0t h ILE 16 Cb 0.02 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1h0t h ILE 16 CO -0.11 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.30 1h0t h LEU 17 N -0.06 1.06 -0.32 1.44 3.38 -0.39 -2.87 115.31 117.55 1h0t h LEU 17 Ca 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h0t h LEU 17 Cb 0.29 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1h0t h LEU 17 CO -0.34 0.93 -0.00 0.45 0.09 0.00 0.00 178.44 179.57 1h0t h HIS 18 N 1.12 0.00 -1.93 1.13 3.86 0.21 -3.46 115.15 116.08 1h0t h HIS 18 Ca 0.26 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.83 1h0t h HIS 18 Cb 0.19 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.68 1h0t h HIS 18 CO 0.02 0.00 1.05 1.28 0.86 0.00 0.00 177.93 181.14 1h0t n LEU 19 N -3.10 3.22 0.18 2.43 4.77 0.17 -4.86 117.00 119.81 1h0t n LEU 19 Ca 0.03 1.00 0.14 0.00 -0.03 0.00 0.00 56.01 57.15 1h0t n LEU 19 Cb 0.48 -1.32 0.62 0.00 -2.33 0.00 0.00 43.42 40.86 1h0t n LEU 19 CO 0.33 -0.14 0.91 1.55 -1.33 0.00 0.00 177.39 178.70 1h0t h PRO 20 N 8.71 0.00 -0.07 3.23 0.13 -1.90 -3.13 132.00 138.97 1h0t h PRO 20 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h0t h PRO 20 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 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 -2.48 1.88 -4.81 1.44 3.02 -1.26 -5.00 115.26 108.05 1h0t n ASN 21 Ca 0.01 -1.51 -0.35 0.00 -0.03 0.00 0.00 54.58 52.70 1h0t n ASN 21 Cb 0.18 -0.04 -0.07 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 -0.70 4.13 0.53 3.41 1.43 -1.19 -4.75 118.68 121.55 1h0t s LEU 22 Ca 0.10 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 54.92 1h0t s LEU 22 Cb 0.06 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 42.09 1h0t s LEU 22 CO 0.09 -0.20 0.32 0.54 0.23 0.00 0.00 176.35 177.33 1h0t s ASN 23 N -1.94 4.54 0.42 2.29 2.20 -1.26 -4.80 114.94 116.39 1h0t s ASN 23 Ca 0.55 -1.30 0.08 0.00 -0.94 0.00 0.00 52.86 51.25 1h0t s ASN 23 Cb -0.13 0.37 0.89 0.00 -2.00 0.00 0.00 41.25 40.38 1h0t s ASN 23 CO 0.18 -1.02 2.07 -0.33 -2.94 0.00 0.00 177.10 175.06 1h0t h GLU 24 N 0.90 0.50 -0.24 3.55 3.07 -1.97 0.48 114.58 120.87 1h0t h GLU 24 Ca -0.38 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.40 1h0t h GLU 24 Cb 1.30 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1h0t h GLU 24 CO 0.61 0.33 -0.04 1.49 -1.40 0.00 0.00 179.01 180.01 1h0t h GLU 25 N 0.52 0.45 0.01 2.33 4.81 -1.98 -2.43 114.58 118.27 1h0t h GLU 25 Ca 0.14 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1h0t h GLU 25 Cb -0.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1h0t h GLU 25 CO -0.03 0.66 -0.00 1.96 -0.73 0.00 0.00 179.01 180.86 1h0t h GLN 26 N 0.20 -0.01 -0.56 1.92 7.50 -1.81 -2.80 115.11 119.54 1h0t h GLN 26 Ca 0.06 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.30 1h0t h GLN 26 Cb 0.48 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.94 1h0t h GLN 26 CO 0.02 0.42 0.19 -0.09 -1.50 0.00 0.00 178.83 177.86 1h0t h ARG 27 N -1.00 0.35 -0.01 1.46 2.43 -0.19 -0.01 114.38 117.41 1h0t h ARG 27 Ca -0.00 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1h0t h ARG 27 Cb 0.43 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1h0t h ARG 27 CO 0.00 0.23 -0.57 -0.91 -1.51 0.00 0.00 179.97 177.21 1h0t h ASN 28 N 0.36 0.52 -0.05 -3.80 2.35 -1.58 -2.96 115.58 110.42 1h0t h ASN 28 Ca 0.28 -0.75 -0.02 0.00 -0.55 0.00 0.00 56.30 55.26 1h0t h ASN 28 Cb 0.34 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1h0t h ASN 28 CO -0.30 1.20 -0.01 0.00 -1.65 0.00 0.00 177.43 176.67 1h0t h ALA 29 N 0.33 1.74 -0.51 -0.83 0.00 -1.38 -1.77 119.26 116.84 1h0t h ALA 29 Ca -0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1h0t h ALA 29 Cb 1.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1h0t h ALA 29 CO 0.11 0.20 0.19 0.74 0.00 0.00 0.00 179.25 180.49 1h0t h PHE 30 N 0.18 0.80 0.00 0.00 -1.00 -0.99 -0.92 116.94 115.00 1h0t h PHE 30 Ca 0.04 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1h0t h PHE 30 Cb 0.15 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.48 1h0t h PHE 30 CO 0.00 0.67 -0.06 0.82 -1.61 0.00 0.00 178.31 178.13 1h0t h ILE 31 N 0.69 0.82 -0.02 -0.55 2.04 -1.16 0.62 117.51 119.94 1h0t h ILE 31 Ca 0.17 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1h0t h ILE 31 Cb 0.22 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1h0t h ILE 31 CO -0.01 0.06 -0.05 1.56 0.00 0.00 0.00 178.15 179.71 1h0t h GLN 32 N 0.00 0.07 0.00 2.37 4.20 -0.72 0.30 115.11 121.33 1h0t h GLN 32 Ca -0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1h0t h GLN 32 Cb 0.12 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1h0t h GLN 32 CO 0.01 0.64 -0.33 0.66 -0.67 0.00 0.00 178.83 179.13 1h0t h SER 33 N -0.48 0.00 0.09 1.46 4.64 -0.72 -2.30 113.55 116.25 1h0t h SER 33 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1h0t h SER 33 Cb 0.64 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1h0t h SER 33 CO 0.01 0.33 -0.61 0.25 -0.87 0.00 0.00 176.83 175.95 1h0t h LEU 34 N 0.00 0.29 -1.21 5.97 5.85 0.27 -0.96 115.31 125.52 1h0t h LEU 34 Ca -0.00 -0.95 -0.07 0.00 0.84 0.00 0.00 57.88 57.70 1h0t h LEU 34 Cb 0.66 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1h0t h LEU 34 CO 0.04 1.28 -0.23 0.11 -0.34 0.00 0.00 178.44 179.31 1h0t h LYS 35 N -0.60 0.26 0.06 1.25 1.57 -0.41 -3.17 116.57 115.55 1h0t h LYS 35 Ca -0.11 -0.08 -0.31 0.00 -1.87 0.00 0.00 60.65 58.27 1h0t h LYS 35 Cb 1.43 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 1h0t h LYS 35 CO 0.08 0.48 -1.71 -0.44 -0.57 0.00 0.00 179.45 177.29 1h0t h ASP 36 N 0.24 0.21 -3.63 0.86 5.19 -1.53 -3.44 116.42 114.32 1h0t h ASP 36 Ca 0.04 -0.39 -0.68 0.00 -0.62 0.00 0.00 57.03 55.38 1h0t h ASP 36 Cb 0.54 -0.07 -0.35 0.00 0.18 0.00 0.00 39.33 39.63 1h0t h ASP 36 CO 0.04 1.34 -0.64 -0.62 -3.12 0.00 0.00 179.24 176.24 1h0t s ASP 37 N -6.59 5.01 0.12 6.45 -1.08 -0.36 -4.98 116.67 115.23 1h0t s ASP 37 Ca -0.10 -1.80 -0.12 0.00 -0.52 0.00 0.00 52.55 50.00 1h0t s ASP 37 Cb 0.07 -1.74 -0.09 0.00 -1.46 0.00 0.00 42.92 39.71 1h0t s ASP 37 CO 0.82 -0.41 1.41 1.55 0.52 0.00 0.00 175.17 179.05 1h0t h PRO 38 N 7.93 0.86 -0.08 4.34 0.13 -1.84 -3.26 132.00 140.08 1h0t h PRO 38 Ca -0.14 -0.53 -0.08 0.00 -0.87 0.00 0.00 66.00 64.38 1h0t h PRO 38 Cb 1.05 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1h0t h PRO 38 CO 0.60 1.16 -0.33 0.66 -0.23 0.00 0.00 178.00 179.86 1h0t h SER 39 N 0.64 0.15 -0.16 1.44 4.64 -1.93 -2.75 113.55 115.58 1h0t h SER 39 Ca 0.02 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1h0t h SER 39 Cb 1.10 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1h0t h SER 39 CO 0.11 0.48 0.00 1.67 -0.87 0.00 0.00 176.83 178.22 1h0t n GLN 40 N -4.11 1.55 -0.13 4.77 -0.06 -1.24 -4.37 117.38 113.79 1h0t n GLN 40 Ca -0.01 -0.83 -0.06 0.00 -2.00 0.00 0.00 57.00 54.10 1h0t n GLN 40 Cb 0.40 -1.32 0.02 0.00 -4.06 0.00 0.00 30.24 25.29 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 1.58 0.28 -0.41 1.69 4.64 -1.53 0.45 113.55 120.25 1h0t h SER 41 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1h0t h SER 41 Cb 0.35 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1h0t h SER 41 CO 0.00 0.20 0.21 0.00 -0.87 0.00 0.00 176.83 176.37 1h0t h ALA 42 N 1.22 0.53 -0.67 5.18 0.00 -1.80 -0.16 119.26 123.56 1h0t h ALA 42 Ca 0.18 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1h0t h ALA 42 Cb 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1h0t h ALA 42 CO -0.13 0.08 0.44 -0.91 0.00 0.00 0.00 179.25 178.73 1h0t h ASN 43 N 0.53 0.62 -0.46 0.00 -0.26 -1.71 0.35 115.58 114.65 1h0t h ASN 43 Ca 0.14 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 1h0t h ASN 43 Cb 0.09 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1h0t h ASN 43 CO -0.02 0.41 -0.02 -0.07 -1.06 0.00 0.00 177.43 176.67 1h0t h LEU 44 N 0.71 0.81 -0.33 1.61 3.38 1.00 0.65 115.31 123.14 1h0t h LEU 44 Ca 0.29 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1h0t h LEU 44 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1h0t h LEU 44 CO -0.09 0.93 -0.19 0.25 0.09 0.00 0.00 178.44 179.43 1h0t h LEU 45 N 0.67 0.73 -0.54 1.67 5.85 0.01 0.30 115.31 124.00 1h0t h LEU 45 Ca 0.13 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1h0t h LEU 45 Cb 0.52 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1h0t h LEU 45 CO 0.03 0.99 0.27 0.00 -0.34 0.00 0.00 178.44 179.39 1h0t h ALA 46 N 0.76 0.69 -0.23 1.25 0.00 0.03 0.85 119.26 122.61 1h0t h ALA 46 Ca 0.07 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1h0t h ALA 46 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1h0t h ALA 46 CO 0.05 -0.08 -0.40 1.05 0.00 0.00 0.00 179.25 179.88 1h0t h GLU 47 N 0.52 0.54 -0.62 0.00 4.11 0.46 0.83 114.58 120.42 1h0t h GLU 47 Ca 0.24 -0.27 -0.08 0.00 0.07 0.00 0.00 59.36 59.32 1h0t h GLU 47 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1h0t h GLU 47 CO -0.17 0.85 0.07 0.00 0.07 0.00 0.00 179.01 179.82 1h0t h ALA 48 N 1.12 0.96 -0.17 1.06 0.00 0.77 0.72 119.26 123.72 1h0t h ALA 48 Ca 0.04 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1h0t h ALA 48 Cb 0.89 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1h0t h ALA 48 CO 0.08 0.64 -0.58 0.87 0.00 0.00 0.00 179.25 180.26 1h0t h LYS 49 N 0.96 0.56 -0.74 0.00 1.57 0.11 0.27 116.57 119.30 1h0t h LYS 49 Ca 0.19 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1h0t h LYS 49 Cb 0.45 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1h0t h LYS 49 CO 0.02 0.99 0.27 -0.22 -0.57 0.00 0.00 179.45 179.94 1h0t h LYS 50 N 0.43 1.12 -0.16 3.15 3.64 0.12 -1.85 116.57 123.01 1h0t h LYS 50 Ca 0.00 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.02 1h0t h LYS 50 Cb 1.14 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1h0t h LYS 50 CO 0.11 0.92 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.60 1h0t h LEU 51 N 1.08 0.52 -0.69 5.20 4.07 0.87 -1.23 115.31 125.14 1h0t h LEU 51 Ca 0.25 -0.27 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1h0t h LEU 51 Cb 0.24 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1h0t h LEU 51 CO -0.02 0.96 0.43 -1.13 -1.08 0.00 0.00 178.44 177.60 1h0t h ASN 52 N 0.36 0.70 0.29 -0.43 -1.24 0.32 0.48 115.58 116.05 1h0t h ASN 52 Ca 0.01 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.69 1h0t h ASN 52 Cb 1.07 -0.15 0.04 0.00 0.73 0.00 0.00 38.32 40.01 1h0t h ASN 52 CO 0.10 0.48 -1.45 0.44 -1.29 0.00 0.00 177.43 175.71 1h0t h ASP 53 N 0.83 0.82 -0.36 1.15 3.32 -1.35 -1.98 116.42 118.86 1h0t h ASP 53 Ca 0.28 -0.87 -0.08 0.00 0.02 0.00 0.00 57.03 56.38 1h0t h ASP 53 Cb 0.03 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1h0t h ASP 53 CO -0.11 1.68 -0.08 0.00 -1.72 0.00 0.00 179.24 179.01 1h0t h ALA 54 N 0.20 0.49 -0.01 3.45 0.00 -1.03 -2.82 119.26 119.54 1h0t h ALA 54 Ca -0.24 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1h0t h ALA 54 Cb 2.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1h0t h ALA 54 CO 0.27 0.33 -0.00 1.04 0.00 0.00 0.00 179.25 180.89 1h0t n GLN 55 N -4.41 1.37 -1.73 0.00 6.02 0.17 -4.93 117.38 113.88 1h0t n GLN 55 Ca -0.02 -0.56 -0.34 0.00 -0.01 0.00 0.00 57.00 56.07 1h0t n GLN 55 Cb 0.34 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.16 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 -2.01 2.40 0.31 -1.58 0.00 -0.74 -4.95 121.76 115.18 1h0t s ALA 56 Ca 0.42 0.68 0.10 0.00 0.00 0.00 0.00 51.96 53.16 1h0t s ALA 56 Cb 0.21 -3.37 0.51 0.00 0.00 0.00 0.00 23.12 20.48 1h0t s ALA 56 CO 0.35 -1.39 1.71 -1.00 0.00 0.00 0.00 175.76 175.44 1h0t h PRO 57 N 0.09 0.07 0.00 0.00 0.13 -1.88 -3.49 132.00 126.92 1h0t h PRO 57 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1h0t h PRO 57 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1h0t h PRO 57 CO 0.53 0.53 0.00 1.17 -0.23 0.00 0.00 178.00 180.01