#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpv s ALA 2 N 0.00 2.83 0.48 -5.12 0.00 -1.26 -4.92 121.76 113.77 1xpv s ALA 2 Ca 0.00 0.87 0.06 0.00 0.00 0.00 0.00 51.96 52.89 1xpv s ALA 2 Cb 0.00 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.83 1xpv s ALA 2 CO 0.00 -0.70 0.65 1.28 0.00 0.00 0.00 175.76 176.99 1xpv n LEU 3 N -0.90 0.00 -3.36 0.00 4.77 -1.25 -4.08 117.00 112.19 1xpv n LEU 3 Ca 0.09 -1.91 -0.07 0.00 -0.03 0.00 0.00 56.01 54.09 1xpv n LEU 3 Cb 0.50 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1xpv n LEU 3 CO 0.45 -0.70 -0.02 -0.89 -1.33 0.00 0.00 177.39 174.90 1xpv s THR 4 N -1.88 -0.66 -0.30 -5.08 2.01 -1.13 -1.33 115.64 107.28 1xpv s THR 4 Ca 0.48 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.35 1xpv s THR 4 Cb -0.04 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1xpv s THR 4 CO 0.31 -0.09 0.15 -0.22 -0.69 0.00 0.00 174.62 174.08 1xpv s LEU 5 N 2.59 4.05 0.11 4.42 2.96 -1.14 -2.00 118.68 129.67 1xpv s LEU 5 Ca 0.12 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 1xpv s LEU 5 Cb -0.15 -2.02 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 1xpv s LEU 5 CO -0.16 -0.16 1.10 -0.31 -1.32 0.00 0.00 176.35 175.50 1xpv s TYR 6 N 1.64 3.58 -0.21 5.38 2.02 -1.07 -3.38 117.35 125.30 1xpv s TYR 6 Ca 0.05 1.54 -0.27 0.00 -0.37 0.00 0.00 57.07 58.03 1xpv s TYR 6 Cb -0.17 -3.27 0.08 0.00 -0.40 0.00 0.00 41.96 38.20 1xpv s TYR 6 CO 0.07 -0.64 0.77 1.14 -1.57 0.00 0.00 175.55 175.32 1xpv s GLN 7 N 0.29 0.83 0.88 -0.62 -2.07 -0.74 -3.64 119.66 114.59 1xpv s GLN 7 Ca 0.52 0.72 -0.12 0.00 -1.82 0.00 0.00 55.36 54.66 1xpv s GLN 7 Cb -0.28 0.40 0.16 0.00 -1.09 0.00 0.00 33.01 32.20 1xpv s GLN 7 CO 0.32 -0.15 1.22 -0.98 -1.32 0.00 0.00 175.29 174.37 1xpv s ARG 8 N -0.10 1.11 -1.04 9.60 1.70 -1.26 -4.08 118.95 124.87 1xpv s ARG 8 Ca -0.02 -0.48 -0.24 0.00 -0.47 0.00 0.00 55.73 54.51 1xpv s ARG 8 Cb -0.04 -1.98 -0.11 0.00 -0.57 0.00 0.00 34.95 32.25 1xpv s ARG 8 CO 0.02 -2.05 2.04 0.34 -1.08 0.00 0.00 175.30 174.57 1xpv s ASP 9 N -4.80 4.56 0.00 -2.89 2.15 -1.26 -4.67 116.67 109.76 1xpv s ASP 9 Ca 0.70 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1xpv s ASP 9 Cb -0.05 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1xpv s ASP 9 CO 0.50 -3.47 0.00 -0.67 -0.17 0.00 0.00 175.17 171.36 1xpv n ASP 10 N 16.01 0.00 -3.68 -0.34 -0.08 -1.26 -5.16 116.55 122.04 1xpv n ASP 10 Ca 0.43 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.61 1xpv n ASP 10 Cb 0.46 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.82 1xpv n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xpv n HIS 12 N 4.34 -0.81 0.09 0.00 -0.00 -1.26 -4.94 115.22 112.64 1xpv n HIS 12 Ca -0.22 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 57.91 1xpv n HIS 12 Cb 0.55 0.16 -0.01 0.00 -0.12 0.00 0.00 29.99 30.57 1xpv n HIS 12 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1xpv h LEU 13 N 0.00 0.02 -2.48 0.27 6.46 -2.03 -2.91 115.31 114.65 1xpv h LEU 13 Ca 0.00 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1xpv h LEU 13 Cb 0.00 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1xpv h LEU 13 CO 0.00 0.88 0.11 0.00 -0.62 0.00 0.00 178.44 178.81 1xpv h ASP 15 N 0.00 -0.54 -0.11 0.00 2.03 -1.89 0.65 116.42 116.57 1xpv h ASP 15 Ca 0.03 0.15 -0.05 0.00 -0.73 0.00 0.00 57.03 56.43 1xpv h ASP 15 Cb 0.26 0.32 -0.01 0.00 -0.83 0.00 0.00 39.33 39.07 1xpv h ASP 15 CO -0.00 -0.19 -0.08 1.56 -1.03 0.00 0.00 179.24 179.51 1xpv h GLN 16 N -0.05 0.41 -0.16 4.15 4.20 -1.45 0.13 115.11 122.34 1xpv h GLN 16 Ca 0.22 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1xpv h GLN 16 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1xpv h GLN 16 CO -0.49 0.50 0.03 0.00 -0.67 0.00 0.00 178.83 178.19 1xpv h ALA 17 N 1.54 0.21 -0.31 3.87 0.00 -0.47 0.51 119.26 124.61 1xpv h ALA 17 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1xpv h ALA 17 Cb 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xpv h ALA 17 CO 0.02 -0.14 -0.15 0.28 0.00 0.00 0.00 179.25 179.26 1xpv h VAL 18 N 0.04 1.24 0.09 0.00 2.07 0.48 -1.51 116.25 118.66 1xpv h VAL 18 Ca 0.05 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1xpv h VAL 18 Cb 0.29 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1xpv h VAL 18 CO 0.00 0.36 -0.04 -0.08 0.02 0.00 0.00 177.57 177.83 1xpv h GLU 19 N 0.50 -0.11 -0.87 1.57 4.81 -0.42 0.78 114.58 120.83 1xpv h GLU 19 Ca 0.09 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1xpv h GLU 19 Cb 0.56 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1xpv h GLU 19 CO 0.04 0.05 0.57 0.00 -0.73 0.00 0.00 179.01 178.93 1xpv h ALA 20 N 0.65 1.44 0.66 2.92 0.00 -0.73 0.32 119.26 124.52 1xpv h ALA 20 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xpv h ALA 20 Cb 0.21 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xpv h ALA 20 CO 0.02 0.48 -0.32 -0.07 0.00 0.00 0.00 179.25 179.36 1xpv h LEU 21 N 1.10 -0.75 -0.49 0.00 3.38 -0.90 0.32 115.31 117.97 1xpv h LEU 21 Ca 0.34 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.38 1xpv h LEU 21 Cb -0.01 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1xpv h LEU 21 CO -0.10 -0.49 0.16 0.00 0.09 0.00 0.00 178.44 178.10 1xpv h ALA 22 N -0.66 0.59 -0.39 1.53 0.00 -0.43 0.14 119.26 120.04 1xpv h ALA 22 Ca -0.09 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xpv h ALA 22 Cb 0.70 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1xpv h ALA 22 CO 0.15 -0.24 0.13 1.96 0.00 0.00 0.00 179.25 181.25 1xpv h GLN 23 N 0.32 0.27 0.00 0.00 4.20 -0.18 0.36 115.11 120.08 1xpv h GLN 23 Ca 0.24 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1xpv h GLN 23 Cb 0.27 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1xpv h GLN 23 CO -0.26 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.08 1xpv n ALA 24 N -2.37 1.61 -3.62 3.87 0.00 0.11 -4.85 120.51 115.26 1xpv n ALA 24 Ca 0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 1xpv n ALA 24 Cb 0.15 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 18.45 1xpv n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xpv n ARG 25 N -1.55 -7.80 0.23 0.00 1.74 0.13 -4.88 116.66 104.53 1xpv n ARG 25 Ca 0.03 0.81 -0.16 0.00 -0.77 0.00 0.00 57.85 57.76 1xpv n ARG 25 Cb 0.16 -5.86 -0.09 0.00 -1.02 0.00 0.00 32.46 25.65 1xpv n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xpv h ALA 26 N 1.02 -1.09 0.00 7.54 0.00 -1.59 -3.49 119.26 121.65 1xpv h ALA 26 Ca -0.57 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1xpv h ALA 26 Cb 1.37 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1xpv h ALA 26 CO 0.57 -1.13 0.00 0.41 0.00 0.00 0.00 179.25 179.09 1xpv n GLY 27 N -1.50 0.34 3.93 0.00 0.00 -1.26 -5.08 105.19 101.63 1xpv n GLY 27 Ca -0.10 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1xpv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpv s ALA 28 N -1.35 3.80 0.37 4.61 0.00 -1.26 -4.97 121.76 122.96 1xpv s ALA 28 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1xpv s ALA 28 Cb 0.00 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.15 1xpv s ALA 28 CO 0.00 0.33 0.67 -0.59 0.00 0.00 0.00 175.76 176.17 1xpv s PHE 29 N -1.96 0.45 -0.07 0.00 -0.12 -1.26 -3.74 117.98 111.27 1xpv s PHE 29 Ca 0.39 -0.96 0.03 0.00 -0.05 0.00 0.00 56.93 56.33 1xpv s PHE 29 Cb -0.11 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.76 1xpv s PHE 29 CO 0.30 -1.40 -0.14 -0.06 -0.05 0.00 0.00 175.22 173.86 1xpv s PHE 30 N -2.64 2.72 0.01 3.49 0.08 -0.44 -4.92 117.98 116.29 1xpv s PHE 30 Ca 0.21 -0.32 -0.21 0.00 0.12 0.00 0.00 56.93 56.73 1xpv s PHE 30 Cb -0.03 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 1xpv s PHE 30 CO 0.14 0.06 0.61 -1.54 -0.10 0.00 0.00 175.22 174.40 1xpv s SER 31 N -0.40 7.01 -0.05 1.36 1.04 -1.26 -2.90 113.70 118.50 1xpv s SER 31 Ca 0.04 1.20 0.03 0.00 0.48 0.00 0.00 55.95 57.71 1xpv s SER 31 Cb -0.12 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1xpv s SER 31 CO 0.02 0.10 -0.14 -0.69 0.98 0.00 0.00 173.24 173.51 1xpv s VAL 32 N -0.24 1.23 -0.28 5.02 1.01 -1.22 -5.00 120.40 120.92 1xpv s VAL 32 Ca 0.32 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1xpv s VAL 32 Cb -0.19 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1xpv s VAL 32 CO 0.18 0.37 0.27 -0.36 0.00 0.00 0.00 175.10 175.55 1xpv s PHE 33 N 0.32 3.23 -0.59 5.22 0.08 -1.26 -1.79 117.98 123.19 1xpv s PHE 33 Ca -0.09 0.19 0.25 0.00 0.12 0.00 0.00 56.93 57.41 1xpv s PHE 33 Cb -0.13 -2.47 0.75 0.00 -0.57 0.00 0.00 43.02 40.60 1xpv s PHE 33 CO 0.03 -0.21 1.74 -0.84 -0.10 0.00 0.00 175.22 175.83 1xpv h ILE 34 N 5.39 0.00 -0.73 0.64 3.07 -1.94 -3.40 117.51 120.54 1xpv h ILE 34 Ca -0.33 -0.58 -0.48 0.00 1.55 0.00 0.00 64.86 65.02 1xpv h ILE 34 Cb 1.18 1.54 -0.06 0.00 -0.27 0.00 0.00 36.82 39.21 1xpv h ILE 34 CO 0.60 0.00 1.47 1.51 -1.05 0.00 0.00 178.15 180.68 1xpv s ASP 35 N -4.96 5.87 0.00 2.16 -4.77 -1.26 -2.40 116.67 111.31 1xpv s ASP 35 Ca 0.09 -1.76 0.00 0.00 -3.30 0.00 0.00 52.55 47.57 1xpv s ASP 35 Cb 0.10 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 1xpv s ASP 35 CO 0.59 -2.16 0.00 0.47 0.70 0.00 0.00 175.17 174.77 1xpv n ASP 36 N 11.50 0.00 -4.13 2.11 9.92 -1.26 -5.05 116.55 129.64 1xpv n ASP 36 Ca 0.44 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.33 1xpv n ASP 36 Cb 0.47 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.85 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1xpv s ASP 37 N 0.00 5.33 0.43 -2.24 1.11 -1.01 -4.93 116.67 115.36 1xpv s ASP 37 Ca 0.00 -2.27 0.21 0.00 0.18 0.00 0.00 52.55 50.66 1xpv s ASP 37 Cb 0.00 -1.87 1.16 0.00 1.07 0.00 0.00 42.92 43.29 1xpv s ASP 37 CO 0.00 -0.51 1.80 0.00 1.18 0.00 0.00 175.17 177.64 1xpv h ALA 38 N 7.79 2.35 -0.79 5.23 0.00 -1.98 0.68 119.26 132.54 1xpv h ALA 38 Ca -0.10 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 38 Cb 1.02 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1xpv h ALA 38 CO 0.73 -0.71 0.45 0.00 0.00 0.00 0.00 179.25 179.72 1xpv h ALA 39 N 1.59 1.11 -0.04 0.00 0.00 -1.93 0.90 119.26 120.89 1xpv h ALA 39 Ca 0.55 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.32 1xpv h ALA 39 Cb 1.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1xpv h ALA 39 CO -0.22 0.10 -0.71 -0.07 0.00 0.00 0.00 179.25 178.35 1xpv h LEU 40 N 0.78 0.28 -0.21 0.00 3.38 -0.02 -0.70 115.31 118.82 1xpv h LEU 40 Ca 0.37 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1xpv h LEU 40 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xpv h LEU 40 CO -0.23 0.90 -0.03 -0.33 0.09 0.00 0.00 178.44 178.84 1xpv h GLU 41 N 0.16 0.40 0.00 1.13 4.39 0.72 0.80 114.58 122.18 1xpv h GLU 41 Ca -0.02 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1xpv h GLU 41 Cb 1.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1xpv h GLU 41 CO 0.11 0.63 -0.49 1.03 -1.16 0.00 0.00 179.01 179.13 1xpv h SER 42 N 0.14 0.00 0.04 1.42 0.87 0.73 1.36 113.55 118.11 1xpv h SER 42 Ca 0.06 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 1xpv h SER 42 Cb 0.47 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1xpv h SER 42 CO 0.02 0.49 -0.65 0.00 -0.53 0.00 0.00 176.83 176.16 1xpv h ALA 43 N 1.51 0.03 -0.19 6.23 0.00 -0.90 -3.43 119.26 122.51 1xpv h ALA 43 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xpv h ALA 43 Cb 0.92 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xpv h ALA 43 CO 0.06 0.35 0.00 0.66 0.00 0.00 0.00 179.25 180.33 1xpv n TYR 44 N -4.20 0.00 0.00 0.00 4.01 0.28 -4.88 117.16 112.37 1xpv n TYR 44 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1xpv n TYR 44 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 1xpv n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xpv n GLY 45 N 1.90 0.24 0.12 2.72 0.00 0.47 -0.11 105.19 110.53 1xpv n GLY 45 Ca 0.00 0.56 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 1xpv n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xpv h LEU 46 N 0.00 0.15 -3.27 0.99 -0.00 -1.93 -3.09 115.31 108.16 1xpv h LEU 46 Ca 0.00 -0.12 -0.30 0.00 -0.00 0.00 0.00 57.88 57.46 1xpv h LEU 46 Cb 0.00 -0.05 -0.15 0.00 -0.00 0.00 0.00 40.66 40.46 1xpv h LEU 46 CO 0.00 0.91 0.39 0.54 -0.00 0.00 0.00 178.44 180.28 1xpv n ARG 47 N -3.65 1.75 -0.19 1.13 1.74 0.84 -4.52 116.66 113.75 1xpv n ARG 47 Ca -0.02 -1.58 -0.01 0.00 -0.77 0.00 0.00 57.85 55.46 1xpv n ARG 47 Cb 0.78 -1.62 0.07 0.00 -1.02 0.00 0.00 32.46 30.66 1xpv n ARG 47 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xpv h VAL 48 N 0.77 0.47 -0.07 1.55 2.07 -1.72 -2.98 116.25 116.34 1xpv h VAL 48 Ca 0.31 -0.02 -0.66 0.00 0.82 0.00 0.00 66.70 67.15 1xpv h VAL 48 Cb 1.38 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1xpv h VAL 48 CO 0.69 0.01 2.59 -0.81 0.02 0.00 0.00 177.57 180.07 1xpv n PRO 49 N -5.34 2.16 -4.53 1.57 -0.04 -1.24 -4.09 135.00 123.49 1xpv n PRO 49 Ca 0.07 -2.27 -0.33 0.00 -0.04 0.00 0.00 63.50 60.93 1xpv n PRO 49 Cb 0.31 -3.15 -0.15 0.00 -0.04 0.00 0.00 33.50 30.48 1xpv n PRO 49 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xpv s VAL 50 N 4.50 2.92 -0.31 0.52 1.01 -1.13 -3.78 120.40 124.14 1xpv s VAL 50 Ca 0.53 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1xpv s VAL 50 Cb 0.13 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1xpv s VAL 50 CO 0.03 0.51 0.50 -0.22 0.00 0.00 0.00 175.10 175.91 1xpv s LEU 51 N 0.73 4.21 0.34 3.92 0.20 -1.19 -2.60 118.68 124.29 1xpv s LEU 51 Ca -0.06 0.19 0.08 0.00 0.69 0.00 0.00 54.13 55.03 1xpv s LEU 51 Cb -0.15 -2.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.97 1xpv s LEU 51 CO 0.02 -0.38 0.11 0.00 -0.29 0.00 0.00 176.35 175.80 1xpv s ARG 52 N 2.33 2.30 0.37 1.98 1.04 -0.84 -0.09 118.95 126.03 1xpv s ARG 52 Ca 0.19 -1.60 0.07 0.00 -1.04 0.00 0.00 55.73 53.36 1xpv s ARG 52 Cb -0.16 -2.11 -0.07 0.00 -2.04 0.00 0.00 34.95 30.57 1xpv s ARG 52 CO 0.12 0.12 -0.02 -0.51 -0.04 0.00 0.00 175.30 174.96 1xpv s ASP 53 N -3.81 3.61 0.21 -2.89 1.11 0.12 -2.83 116.67 112.19 1xpv s ASP 53 Ca 0.37 -1.30 0.08 0.00 0.18 0.00 0.00 52.55 51.88 1xpv s ASP 53 Cb -0.02 -0.34 0.14 0.00 1.07 0.00 0.00 42.92 43.78 1xpv s ASP 53 CO 0.22 -0.38 1.49 1.55 1.18 0.00 0.00 175.17 179.23 1xpv h PRO 54 N 1.92 0.03 -0.53 8.23 0.13 -1.89 -3.16 132.00 136.73 1xpv h PRO 54 Ca -0.43 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1xpv h PRO 54 Cb 1.24 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1xpv h PRO 54 CO 0.76 0.77 0.08 0.00 -0.23 0.00 0.00 178.00 179.38 1xpv h MET 55 N 0.02 0.85 0.00 0.86 -0.00 -1.96 -3.47 114.93 111.23 1xpv h MET 55 Ca -0.01 -0.20 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 1xpv h MET 55 Cb 1.34 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 1xpv h MET 55 CO 0.10 0.80 0.00 0.41 -0.00 0.00 0.00 176.91 178.22 1xpv n GLY 56 N -0.74 0.77 3.36 -3.00 0.00 -1.19 -5.15 105.19 99.23 1xpv n GLY 56 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1xpv n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xpv s ARG 57 N 0.00 1.37 0.09 1.61 1.81 -1.26 -4.95 118.95 117.62 1xpv s ARG 57 Ca 0.00 -1.66 -0.07 0.00 -1.72 0.00 0.00 55.73 52.28 1xpv s ARG 57 Cb 0.00 -0.94 -0.01 0.00 -0.45 0.00 0.00 34.95 33.55 1xpv s ARG 57 CO 0.00 0.05 0.15 -1.21 -0.68 0.00 0.00 175.30 173.62 1xpv s GLU 58 N -3.74 0.84 0.01 3.54 2.02 -1.26 0.13 118.70 120.24 1xpv s GLU 58 Ca 0.25 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1xpv s GLU 58 Cb 0.03 0.32 -0.01 0.00 0.10 0.00 0.00 34.13 34.56 1xpv s GLU 58 CO 0.08 -0.25 -0.08 -1.17 0.02 0.00 0.00 175.26 173.86 1xpv s LEU 59 N -2.89 2.09 0.96 1.80 2.96 0.87 -4.98 118.68 119.49 1xpv s LEU 59 Ca 0.08 -0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 53.60 1xpv s LEU 59 Cb 0.05 -0.32 0.08 0.00 0.50 0.00 0.00 46.19 46.51 1xpv s LEU 59 CO -0.09 0.00 0.59 -0.67 -1.32 0.00 0.00 176.35 174.86 1xpv n ASP 60 N 2.44 -1.48 0.10 3.68 -0.08 -1.26 -3.15 116.55 116.80 1xpv n ASP 60 Ca -0.16 0.31 -0.13 0.00 -1.51 0.00 0.00 54.79 53.30 1xpv n ASP 60 Cb 0.57 -1.26 -0.08 0.00 2.34 0.00 0.00 41.12 42.68 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1xpv h TRP 61 N -1.72 -0.25 -3.21 -0.67 -0.00 -1.93 -3.41 115.95 104.77 1xpv h TRP 61 Ca -0.44 -0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.87 1xpv h TRP 61 Cb 1.29 0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 30.48 1xpv h TRP 61 CO 0.40 0.08 1.04 -1.25 -0.00 0.00 0.00 178.44 178.71 1xpv s PRO 62 N -4.81 3.70 0.29 2.65 0.04 -1.26 -4.94 135.00 130.66 1xpv s PRO 62 Ca -0.15 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 61.93 1xpv s PRO 62 Cb 0.03 -3.98 0.02 0.00 0.04 0.00 0.00 34.50 30.61 1xpv s PRO 62 CO 0.59 -1.41 0.46 1.97 0.04 0.00 0.00 177.00 178.66 1xpv n PHE 63 N 8.42 -1.51 -4.00 0.56 1.16 -1.26 -5.11 117.46 115.71 1xpv n PHE 63 Ca 0.16 -1.76 0.00 0.00 -1.87 0.00 0.00 57.45 53.98 1xpv n PHE 63 Cb 0.47 0.53 0.00 0.00 -1.61 0.00 0.00 39.48 38.88 1xpv n PHE 63 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1xpv n ASP 64 N -1.63 1.68 -0.06 5.98 9.92 -1.26 -4.97 116.55 126.21 1xpv n ASP 64 Ca -0.02 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.11 1xpv n ASP 64 Cb 0.47 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.83 1xpv n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xpv h ALA 65 N 1.00 -0.01 0.00 2.24 0.00 -1.97 -1.35 119.26 119.18 1xpv h ALA 65 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1xpv h ALA 65 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xpv h ALA 65 CO 0.00 -0.04 -0.10 -1.00 0.00 0.00 0.00 179.25 178.10 1xpv h PRO 66 N -0.93 0.00 0.05 0.00 0.13 -1.95 -0.76 132.00 128.54 1xpv h PRO 66 Ca -0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1xpv h PRO 66 Cb 0.86 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1xpv h PRO 66 CO 0.00 0.10 -1.31 -0.09 -0.23 0.00 0.00 178.00 176.48 1xpv h ARG 67 N 0.00 0.11 0.19 0.86 2.43 -1.96 -1.29 114.38 114.72 1xpv h ARG 67 Ca -0.00 -0.19 -0.31 0.00 -0.81 0.00 0.00 59.98 58.67 1xpv h ARG 67 Cb 0.83 0.07 0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1xpv h ARG 67 CO 0.01 0.98 -1.36 1.25 -1.51 0.00 0.00 179.97 179.34 1xpv h LEU 68 N 0.03 0.76 -0.05 3.80 5.85 -1.12 -2.92 115.31 121.66 1xpv h LEU 68 Ca -0.14 -0.78 -0.03 0.00 0.84 0.00 0.00 57.88 57.77 1xpv h LEU 68 Cb 1.91 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1xpv h LEU 68 CO 0.14 1.60 -0.10 -0.09 -0.34 0.00 0.00 178.44 179.65 1xpv h ARG 69 N 0.17 0.16 -0.47 1.25 9.65 -1.24 -2.64 114.38 121.25 1xpv h ARG 69 Ca -0.21 -0.10 0.13 0.00 -1.10 0.00 0.00 59.98 58.70 1xpv h ARG 69 Cb 2.05 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.63 1xpv h ARG 69 CO 0.25 0.69 0.34 0.00 2.80 0.00 0.00 179.97 184.05 1xpv h ALA 70 N 0.47 2.40 -0.36 2.80 0.00 -1.34 0.49 119.26 123.71 1xpv h ALA 70 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1xpv h ALA 70 Cb 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1xpv h ALA 70 CO 0.02 -0.53 -0.38 2.35 0.00 0.00 0.00 179.25 180.72 1xpv h TRP 71 N 0.04 1.01 0.19 0.00 7.01 -1.36 0.74 115.95 123.57 1xpv h TRP 71 Ca 0.22 -0.30 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1xpv h TRP 71 Cb 0.85 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 1xpv h TRP 71 CO -0.00 1.09 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.58 1xpv h LEU 72 N 0.70 -0.22 -0.63 0.65 3.38 0.23 -2.99 115.31 116.44 1xpv h LEU 72 Ca 0.06 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1xpv h LEU 72 Cb 0.95 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1xpv h LEU 72 CO 0.09 0.03 0.17 0.44 0.09 0.00 0.00 178.44 179.25 1xpv h ASP 73 N -0.46 0.95 -1.74 -0.43 5.19 -0.95 -2.15 116.42 116.83 1xpv h ASP 73 Ca -0.03 -0.22 0.52 0.00 -0.62 0.00 0.00 57.03 56.68 1xpv h ASP 73 Cb 0.35 -0.25 -0.09 0.00 0.18 0.00 0.00 39.33 39.53 1xpv h ASP 73 CO 0.04 0.92 1.23 0.00 -3.12 0.00 0.00 179.24 178.31 1xpv h ALA 74 N 1.06 3.53 -1.56 3.45 0.00 0.65 -3.45 119.26 122.93 1xpv h ALA 74 Ca 0.20 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.26 1xpv h ALA 74 Cb 0.33 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xpv h ALA 74 CO -0.00 -2.09 -0.23 0.00 0.00 0.00 0.00 179.25 176.93 1xpv n ALA 75 N -2.81 -2.49 -1.12 0.00 0.00 -0.81 -4.83 120.51 108.45 1xpv n ALA 75 Ca 0.41 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 54.00 1xpv n ALA 75 Cb 1.80 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 20.53 1xpv n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xpv n PRO 76 N -2.22 -0.91 -0.00 0.00 -0.04 -1.26 -5.03 135.00 125.54 1xpv n PRO 76 Ca 0.00 -0.45 -0.04 0.00 -0.04 0.00 0.00 63.50 62.97 1xpv n PRO 76 Cb 0.29 -0.36 -0.01 0.00 -0.04 0.00 0.00 33.50 33.38 1xpv n PRO 76 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xpv n HIS 77 N -2.75 0.00 -0.66 0.54 8.25 -1.26 -5.21 115.22 114.13 1xpv n HIS 77 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1xpv n HIS 77 Cb 0.14 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98