#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpv n ALA 2 N 0.00 0.00 -0.32 3.04 0.00 -1.26 -4.63 120.51 117.33 1xpv n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1xpv n ALA 2 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 1xpv n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xpv s LEU 3 N 0.00 -0.96 -0.25 0.00 1.43 -1.26 -3.98 118.68 113.66 1xpv s LEU 3 Ca 0.00 1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 54.06 1xpv s LEU 3 Cb 0.00 -2.48 0.13 0.00 0.03 0.00 0.00 46.19 43.87 1xpv s LEU 3 CO 0.00 -5.31 0.49 -0.89 0.23 0.00 0.00 176.35 170.87 1xpv s THR 4 N -2.23 -0.78 -0.36 5.49 2.01 0.30 -2.42 115.64 117.66 1xpv s THR 4 Ca 0.68 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.73 1xpv s THR 4 Cb -0.16 -0.84 0.10 0.00 0.01 0.00 0.00 72.50 71.61 1xpv s THR 4 CO 0.60 -0.01 0.10 -0.22 -0.69 0.00 0.00 174.62 174.39 1xpv s LEU 5 N 2.70 4.85 0.23 4.42 2.96 -1.04 0.33 118.68 133.12 1xpv s LEU 5 Ca 0.07 -2.03 -0.30 0.00 -0.22 0.00 0.00 54.13 51.65 1xpv s LEU 5 Cb -0.14 -1.71 -0.10 0.00 0.50 0.00 0.00 46.19 44.75 1xpv s LEU 5 CO -0.17 -0.43 1.44 -0.31 -1.32 0.00 0.00 176.35 175.56 1xpv s TYR 6 N 1.02 3.06 -0.01 5.38 2.02 -1.11 -3.80 117.35 123.91 1xpv s TYR 6 Ca 0.08 1.00 -0.29 0.00 -0.37 0.00 0.00 57.07 57.50 1xpv s TYR 6 Cb -0.21 -3.80 0.10 0.00 -0.40 0.00 0.00 41.96 37.65 1xpv s TYR 6 CO -0.06 -2.65 0.89 1.14 -1.57 0.00 0.00 175.55 173.30 1xpv s GLN 7 N -0.14 0.82 -0.22 -0.62 -2.07 -0.40 -3.74 119.66 113.30 1xpv s GLN 7 Ca 0.60 -0.30 -0.04 0.00 -1.82 0.00 0.00 55.36 53.80 1xpv s GLN 7 Cb -0.41 0.38 0.09 0.00 -1.09 0.00 0.00 33.01 31.98 1xpv s GLN 7 CO 0.41 -0.36 0.19 -0.98 -1.32 0.00 0.00 175.29 173.23 1xpv s ARG 8 N -3.12 0.18 0.21 9.60 1.70 -1.26 -3.84 118.95 122.42 1xpv s ARG 8 Ca 0.05 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 1xpv s ARG 8 Cb -0.01 -1.25 0.00 0.00 -0.57 0.00 0.00 34.95 33.12 1xpv s ARG 8 CO -0.09 -0.77 0.00 -3.47 -1.08 0.00 0.00 175.30 169.89 1xpv n ASP 9 N 5.30 -3.27 -4.66 -2.89 -0.08 -1.26 -4.91 116.55 104.77 1xpv n ASP 9 Ca -0.05 0.62 -0.36 0.00 -1.51 0.00 0.00 54.79 53.48 1xpv n ASP 9 Cb 0.48 -1.19 -0.09 0.00 2.34 0.00 0.00 41.12 42.66 1xpv n ASP 9 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1xpv s ASP 10 N -3.49 6.08 0.08 1.67 1.47 -1.26 -4.88 116.67 116.34 1xpv s ASP 10 Ca 0.00 0.11 0.00 0.00 1.18 0.00 0.00 52.55 53.84 1xpv s ASP 10 Cb 0.00 -2.09 0.00 0.00 -0.34 0.00 0.00 42.92 40.49 1xpv s ASP 10 CO 0.00 0.08 0.00 0.00 0.68 0.00 0.00 175.17 175.93 1xpv n HIS 12 N -2.85 -3.58 -0.29 0.00 8.25 -1.26 -4.86 115.22 110.62 1xpv n HIS 12 Ca 0.00 0.85 0.11 0.00 -0.26 0.00 0.00 57.72 58.42 1xpv n HIS 12 Cb 0.00 2.34 0.25 0.00 1.12 0.00 0.00 29.99 33.70 1xpv n HIS 12 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1xpv h LEU 13 N 0.00 -0.17 -0.34 2.41 5.85 -1.98 1.00 115.31 122.08 1xpv h LEU 13 Ca 0.00 0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 1xpv h LEU 13 Cb 0.00 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1xpv h LEU 13 CO 0.00 -0.19 -0.16 0.00 -0.34 0.00 0.00 178.44 177.75 1xpv h ASP 15 N 0.48 0.46 -0.81 0.00 3.58 0.36 0.19 116.42 120.67 1xpv h ASP 15 Ca 0.07 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1xpv h ASP 15 Cb 0.70 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.71 1xpv h ASP 15 CO 0.05 0.23 0.48 1.56 -2.88 0.00 0.00 179.24 178.68 1xpv h GLN 16 N 0.59 1.11 -0.29 0.28 4.20 0.47 0.31 115.11 121.78 1xpv h GLN 16 Ca 0.40 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 1xpv h GLN 16 Cb 0.50 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1xpv h GLN 16 CO -0.32 0.78 0.07 0.00 -0.67 0.00 0.00 178.83 178.69 1xpv h ALA 17 N 1.41 0.39 -0.66 3.87 0.00 -0.34 -1.49 119.26 122.44 1xpv h ALA 17 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xpv h ALA 17 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1xpv h ALA 17 CO -0.05 0.05 0.18 0.28 0.00 0.00 0.00 179.25 179.71 1xpv h VAL 18 N 0.31 1.25 -0.09 0.00 2.07 -0.30 -2.25 116.25 117.25 1xpv h VAL 18 Ca 0.09 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1xpv h VAL 18 Cb 0.30 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1xpv h VAL 18 CO 0.00 0.34 -0.08 -0.08 0.02 0.00 0.00 177.57 177.78 1xpv h GLU 19 N 0.99 -0.09 -0.93 1.57 4.22 -0.05 0.56 114.58 120.85 1xpv h GLU 19 Ca 0.21 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.75 1xpv h GLU 19 Cb 0.32 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1xpv h GLU 19 CO -0.00 -0.06 0.58 0.00 -2.18 0.00 0.00 179.01 177.34 1xpv h ALA 20 N 0.97 1.33 0.79 2.92 0.00 -1.02 0.54 119.26 124.79 1xpv h ALA 20 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xpv h ALA 20 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xpv h ALA 20 CO -0.14 0.26 -0.43 -0.07 0.00 0.00 0.00 179.25 178.87 1xpv h LEU 21 N 0.99 -1.06 -0.51 0.00 3.38 -0.69 0.59 115.31 118.00 1xpv h LEU 21 Ca 0.43 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.52 1xpv h LEU 21 Cb 0.30 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1xpv h LEU 21 CO -0.22 -0.70 0.17 0.00 0.09 0.00 0.00 178.44 177.78 1xpv h ALA 22 N -0.98 0.62 -0.75 1.53 0.00 -0.36 0.21 119.26 119.53 1xpv h ALA 22 Ca -0.11 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 22 Cb 0.89 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1xpv h ALA 22 CO 0.14 -0.23 0.45 1.96 0.00 0.00 0.00 179.25 181.57 1xpv h GLN 23 N 0.33 0.81 0.00 0.00 4.20 0.34 0.35 115.11 121.15 1xpv h GLN 23 Ca 0.25 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1xpv h GLN 23 Cb 0.29 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1xpv h GLN 23 CO -0.27 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.43 1xpv n ALA 24 N -2.34 1.90 -3.62 3.87 0.00 0.20 -4.87 120.51 115.65 1xpv n ALA 24 Ca 0.10 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 1xpv n ALA 24 Cb 0.16 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.53 -7.49 0.16 0.00 5.12 0.12 -4.82 116.66 108.22 1xpv n ARG 25 Ca 0.05 0.80 -0.14 0.00 -1.93 0.00 0.00 57.85 56.63 1xpv n ARG 25 Cb 0.23 -5.83 -0.07 0.00 -1.16 0.00 0.00 32.46 25.64 1xpv n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xpv h ALA 26 N 1.01 -0.58 0.00 7.54 0.00 -1.62 -3.49 119.26 122.12 1xpv h ALA 26 Ca -0.57 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1xpv h ALA 26 Cb 1.37 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1xpv h ALA 26 CO 0.58 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 179.37 1xpv n GLY 27 N -1.41 0.12 3.89 0.00 0.00 -1.26 -5.04 105.19 101.49 1xpv n GLY 27 Ca -0.08 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.81 3.50 0.11 4.61 0.00 -1.26 -4.97 121.76 121.93 1xpv s ALA 28 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 1xpv s ALA 28 Cb 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1xpv s ALA 28 CO 0.00 0.15 0.24 1.97 0.00 0.00 0.00 175.76 178.12 1xpv n PHE 29 N -1.04 -1.32 -4.26 0.00 1.16 -1.26 -4.62 117.46 106.12 1xpv n PHE 29 Ca 0.00 -0.52 -0.28 0.00 -1.87 0.00 0.00 57.45 54.79 1xpv n PHE 29 Cb 0.54 0.26 -0.09 0.00 -1.61 0.00 0.00 39.48 38.57 1xpv n PHE 29 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1xpv s PHE 30 N -6.74 2.70 0.04 2.97 0.40 -1.01 -4.95 117.98 111.40 1xpv s PHE 30 Ca 0.05 -0.19 0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1xpv s PHE 30 Cb -0.01 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1xpv s PHE 30 CO 0.03 0.49 -0.22 0.45 0.70 0.00 0.00 175.22 176.67 1xpv s SER 31 N -2.68 3.51 -0.02 1.36 0.15 -1.26 -2.50 113.70 112.25 1xpv s SER 31 Ca 0.24 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1xpv s SER 31 Cb -0.09 -0.47 0.02 0.00 -1.71 0.00 0.00 66.02 63.77 1xpv s SER 31 CO 0.15 0.26 -0.01 -0.69 1.20 0.00 0.00 173.24 174.15 1xpv s VAL 32 N -0.86 0.23 -0.13 4.45 1.01 -1.25 -4.98 120.40 118.87 1xpv s VAL 32 Ca 0.13 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1xpv s VAL 32 Cb -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1xpv s VAL 32 CO 0.04 0.13 0.40 -0.36 0.00 0.00 0.00 175.10 175.31 1xpv s PHE 33 N 0.75 3.50 -0.38 5.22 0.08 -1.25 -1.27 117.98 124.62 1xpv s PHE 33 Ca -0.08 0.77 0.23 0.00 0.12 0.00 0.00 56.93 57.98 1xpv s PHE 33 Cb -0.11 -2.46 0.22 0.00 -0.57 0.00 0.00 43.02 40.09 1xpv s PHE 33 CO -0.01 0.21 1.34 -0.84 -0.10 0.00 0.00 175.22 175.82 1xpv h ILE 34 N 4.69 0.00 -3.39 0.64 3.07 -1.91 -3.44 117.51 117.17 1xpv h ILE 34 Ca -0.41 -0.92 -0.57 0.00 1.55 0.00 0.00 64.86 64.51 1xpv h ILE 34 Cb 1.17 1.66 0.12 0.00 -0.27 0.00 0.00 36.82 39.50 1xpv h ILE 34 CO 0.75 0.00 0.46 -0.67 -1.05 0.00 0.00 178.15 177.64 1xpv n ASP 35 N -2.77 2.50 0.00 2.16 -0.08 -1.26 -1.96 116.55 115.13 1xpv n ASP 35 Ca 0.02 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.45 1xpv n ASP 35 Cb 0.52 -1.48 0.00 0.00 2.34 0.00 0.00 41.12 42.51 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1xpv n ASP 36 N 0.48 0.00 -4.56 1.67 -0.08 -1.26 -4.87 116.55 107.94 1xpv n ASP 36 Ca 0.06 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.04 1xpv n ASP 36 Cb 0.38 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.80 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1xpv s ASP 37 N 0.00 5.02 0.38 1.67 1.01 -0.83 -4.77 116.67 119.15 1xpv s ASP 37 Ca 0.00 -0.12 0.06 0.00 0.71 0.00 0.00 52.55 53.19 1xpv s ASP 37 Cb 0.00 -2.54 0.75 0.00 1.01 0.00 0.00 42.92 42.14 1xpv s ASP 37 CO 0.00 -2.73 2.00 0.00 0.21 0.00 0.00 175.17 174.65 1xpv h ALA 38 N 13.33 1.58 -0.24 5.23 0.00 -1.90 0.21 119.26 137.48 1xpv h ALA 38 Ca -0.06 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xpv h ALA 38 Cb 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1xpv h ALA 38 CO 1.19 0.34 0.14 0.00 0.00 0.00 0.00 179.25 180.92 1xpv h ALA 39 N 1.65 0.30 -0.14 0.00 0.00 -1.91 0.80 119.26 119.96 1xpv h ALA 39 Ca 0.15 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 39 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xpv h ALA 39 CO -0.02 -0.26 -0.46 -0.07 0.00 0.00 0.00 179.25 178.44 1xpv h LEU 40 N 0.28 0.38 -0.17 0.00 3.38 -1.64 0.19 115.31 117.73 1xpv h LEU 40 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1xpv h LEU 40 Cb 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xpv h LEU 40 CO -0.05 0.78 0.00 -0.33 0.09 0.00 0.00 178.44 178.94 1xpv h GLU 41 N 0.29 0.30 -0.00 1.13 4.39 0.21 0.37 114.58 121.26 1xpv h GLU 41 Ca 0.02 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 1xpv h GLU 41 Cb 0.92 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1xpv h GLU 41 CO 0.08 0.51 -0.60 1.03 -1.16 0.00 0.00 179.01 178.87 1xpv h SER 42 N 0.05 0.01 -0.06 1.42 0.87 0.70 1.44 113.55 117.99 1xpv h SER 42 Ca 0.05 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.42 1xpv h SER 42 Cb 0.37 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1xpv h SER 42 CO 0.01 0.60 -0.64 0.00 -0.53 0.00 0.00 176.83 176.27 1xpv h ALA 43 N 1.40 0.52 -1.00 6.23 0.00 -0.41 -3.42 119.26 122.57 1xpv h ALA 43 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xpv h ALA 43 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xpv h ALA 43 CO 0.08 0.70 0.00 0.66 0.00 0.00 0.00 179.25 180.69 1xpv n TYR 44 N -3.94 0.00 0.00 0.00 4.01 0.13 -4.92 117.16 112.44 1xpv n TYR 44 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1xpv n TYR 44 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 3.22 0.35 0.09 2.72 0.00 0.49 -1.89 105.19 110.17 1xpv n GLY 45 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 1xpv n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xpv n LEU 46 N 0.00 1.20 -1.80 0.99 7.99 -1.26 -3.96 117.00 120.16 1xpv n LEU 46 Ca 0.00 0.39 -0.15 0.00 -0.01 0.00 0.00 56.01 56.23 1xpv n LEU 46 Cb 0.00 -0.06 0.06 0.00 -0.11 0.00 0.00 43.42 43.30 1xpv n LEU 46 CO 0.00 0.47 1.10 0.54 -1.51 0.00 0.00 177.39 177.99 1xpv n ARG 47 N -3.13 1.75 -0.15 3.23 1.74 -0.79 -4.51 116.66 114.80 1xpv n ARG 47 Ca -0.19 -1.56 -0.03 0.00 -0.77 0.00 0.00 57.85 55.30 1xpv n ARG 47 Cb 1.05 -1.61 0.04 0.00 -1.02 0.00 0.00 32.46 30.92 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 0.82 0.60 -0.29 1.55 2.07 -1.79 -3.14 116.25 116.05 1xpv h VAL 48 Ca 0.30 -0.02 -0.61 0.00 0.82 0.00 0.00 66.70 67.19 1xpv h VAL 48 Cb 1.27 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1xpv h VAL 48 CO 0.69 0.01 2.24 -0.81 0.02 0.00 0.00 177.57 179.73 1xpv n PRO 49 N -5.26 2.27 -4.50 1.57 -0.04 -1.25 -4.12 135.00 123.67 1xpv n PRO 49 Ca 0.04 -2.50 -0.33 0.00 -0.04 0.00 0.00 63.50 60.67 1xpv n PRO 49 Cb 0.25 -3.32 -0.15 0.00 -0.04 0.00 0.00 33.50 30.24 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 5.65 2.78 -0.36 0.52 1.01 -1.19 -3.54 120.40 125.27 1xpv s VAL 50 Ca 0.56 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1xpv s VAL 50 Cb 0.09 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1xpv s VAL 50 CO 0.06 0.51 0.58 -0.22 0.00 0.00 0.00 175.10 176.03 1xpv s LEU 51 N 0.81 4.33 0.12 3.92 2.96 -1.20 -2.75 118.68 126.87 1xpv s LEU 51 Ca -0.05 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1xpv s LEU 51 Cb -0.15 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 1xpv s LEU 51 CO 0.00 -0.56 -0.05 -0.60 -1.32 0.00 0.00 176.35 173.82 1xpv s ARG 52 N 2.57 2.31 0.40 1.98 3.52 0.15 -0.34 118.95 129.54 1xpv s ARG 52 Ca 0.21 -0.99 0.08 0.00 -0.13 0.00 0.00 55.73 54.90 1xpv s ARG 52 Cb -0.15 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 1xpv s ARG 52 CO 0.14 0.50 0.24 -0.51 -0.81 0.00 0.00 175.30 174.87 1xpv s ASP 53 N -2.42 4.70 0.44 -2.12 1.11 -0.22 -0.54 116.67 117.62 1xpv s ASP 53 Ca 0.24 -0.89 0.24 0.00 0.18 0.00 0.00 52.55 52.32 1xpv s ASP 53 Cb -0.11 -0.58 0.71 0.00 1.07 0.00 0.00 42.92 44.02 1xpv s ASP 53 CO 0.16 -0.52 1.74 1.55 1.18 0.00 0.00 175.17 179.28 1xpv h PRO 54 N 1.32 0.00 -0.15 8.23 0.13 -1.82 -3.20 132.00 136.50 1xpv h PRO 54 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 1xpv h PRO 54 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xpv h PRO 54 CO 0.64 0.17 -0.20 0.52 -0.23 0.00 0.00 178.00 178.90 1xpv h MET 55 N 0.00 0.41 0.00 0.86 2.86 -1.93 -3.47 114.93 113.66 1xpv h MET 55 Ca -0.00 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1xpv h MET 55 Cb 0.88 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1xpv h MET 55 CO 0.02 0.81 0.00 0.41 1.06 0.00 0.00 176.91 179.21 1xpv n GLY 56 N 0.28 0.48 3.15 8.32 0.00 -1.21 -5.17 105.19 111.05 1xpv n GLY 56 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 0.78 0.12 1.61 0.52 -1.26 -4.98 118.95 115.74 1xpv s ARG 57 Ca 0.00 -1.09 0.06 0.00 -0.52 0.00 0.00 55.73 54.19 1xpv s ARG 57 Cb 0.00 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.97 1xpv s ARG 57 CO 0.00 0.07 -0.16 -1.21 0.02 0.00 0.00 175.30 174.02 1xpv s GLU 58 N -2.61 1.04 0.05 3.54 2.02 -1.26 -1.05 118.70 120.41 1xpv s GLU 58 Ca 0.03 -1.20 0.07 0.00 0.02 0.00 0.00 54.97 53.89 1xpv s GLU 58 Cb -0.04 -1.02 -0.03 0.00 0.10 0.00 0.00 34.13 33.15 1xpv s GLU 58 CO -0.00 0.21 -0.21 -1.17 0.02 0.00 0.00 175.26 174.11 1xpv s LEU 59 N -2.28 2.17 0.70 1.80 2.96 0.54 -4.98 118.68 119.60 1xpv s LEU 59 Ca 0.08 -0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 1xpv s LEU 59 Cb -0.07 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.66 1xpv s LEU 59 CO 0.04 0.16 1.15 -0.67 -1.32 0.00 0.00 176.35 175.70 1xpv n ASP 60 N 1.82 1.27 0.18 3.68 2.03 -1.26 -3.22 116.55 121.04 1xpv n ASP 60 Ca -0.17 0.73 -0.15 0.00 0.52 0.00 0.00 54.79 55.72 1xpv n ASP 60 Cb 0.53 -1.49 -0.08 0.00 -0.72 0.00 0.00 41.12 39.36 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1xpv h TRP 61 N -0.02 -0.37 -3.17 -0.67 -0.00 -1.93 -3.39 115.95 106.39 1xpv h TRP 61 Ca -0.49 -0.01 -0.56 0.00 -0.00 0.00 0.00 58.89 57.83 1xpv h TRP 61 Cb 1.33 0.12 -0.05 0.00 -0.00 0.00 0.00 29.16 30.56 1xpv h TRP 61 CO 0.41 -0.19 1.09 -1.25 -0.00 0.00 0.00 178.44 178.50 1xpv s PRO 62 N -5.92 3.50 0.20 2.65 0.04 -1.26 -4.94 135.00 129.27 1xpv s PRO 62 Ca -0.15 0.85 -0.00 0.00 0.04 0.00 0.00 61.00 61.74 1xpv s PRO 62 Cb 0.04 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1xpv s PRO 62 CO 0.63 -1.66 0.27 1.97 0.04 0.00 0.00 177.00 178.25 1xpv n PHE 63 N 9.07 -0.97 -4.19 0.56 1.16 -1.26 -5.12 117.46 116.71 1xpv n PHE 63 Ca 0.16 -1.41 -0.09 0.00 -1.87 0.00 0.00 57.45 54.25 1xpv n PHE 63 Cb 0.48 0.31 -0.02 0.00 -1.61 0.00 0.00 39.48 38.64 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 -1.88 1.77 -0.05 5.98 8.00 -1.26 -4.97 116.55 124.13 1xpv n ASP 64 Ca 0.01 -1.66 -0.14 0.00 0.71 0.00 0.00 54.79 53.71 1xpv n ASP 64 Cb 0.34 0.20 -0.12 0.00 -0.02 0.00 0.00 41.12 41.52 1xpv n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpv h ALA 65 N 1.14 0.00 0.00 2.24 0.00 -1.96 -0.90 119.26 119.78 1xpv h ALA 65 Ca -0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1xpv h ALA 65 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xpv h ALA 65 CO 0.18 -0.04 -0.13 -1.00 0.00 0.00 0.00 179.25 178.26 1xpv h PRO 66 N -0.84 0.00 0.06 0.00 0.13 -1.94 -0.35 132.00 129.07 1xpv h PRO 66 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 1xpv h PRO 66 Cb 0.90 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1xpv h PRO 66 CO 0.01 0.13 -1.34 -0.09 -0.23 0.00 0.00 178.00 176.47 1xpv h ARG 67 N 0.00 0.14 0.21 0.86 2.43 -1.96 -2.03 114.38 114.02 1xpv h ARG 67 Ca -0.00 -0.23 -0.32 0.00 -0.81 0.00 0.00 59.98 58.62 1xpv h ARG 67 Cb 0.85 0.09 0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1xpv h ARG 67 CO 0.02 1.00 -1.39 1.25 -1.51 0.00 0.00 179.97 179.33 1xpv h LEU 68 N 0.04 0.81 -0.10 3.80 5.85 -1.05 -2.99 115.31 121.66 1xpv h LEU 68 Ca -0.16 -0.83 -0.03 0.00 0.84 0.00 0.00 57.88 57.70 1xpv h LEU 68 Cb 1.93 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1xpv h LEU 68 CO 0.15 1.65 -0.04 -0.09 -0.34 0.00 0.00 178.44 179.77 1xpv h ARG 69 N 0.18 0.20 -0.61 1.25 1.12 -1.17 -0.46 114.38 114.89 1xpv h ARG 69 Ca -0.23 -0.08 0.13 0.00 -1.11 0.00 0.00 59.98 58.69 1xpv h ARG 69 Cb 2.08 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 32.00 1xpv h ARG 69 CO 0.26 0.53 0.42 0.00 -3.11 0.00 0.00 179.97 178.07 1xpv h ALA 70 N 0.66 2.21 -0.09 2.80 0.00 -1.47 0.86 119.26 124.23 1xpv h ALA 70 Ca 0.02 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1xpv h ALA 70 Cb 0.47 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xpv h ALA 70 CO 0.01 -0.37 -0.88 2.35 0.00 0.00 0.00 179.25 180.36 1xpv h TRP 71 N 0.26 1.07 0.18 0.00 7.01 -1.33 -1.13 115.95 122.01 1xpv h TRP 71 Ca 0.29 -0.52 -0.01 0.00 2.11 0.00 0.00 58.89 60.77 1xpv h TRP 71 Cb 0.79 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 1xpv h TRP 71 CO -0.00 1.35 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.84 1xpv h LEU 72 N 0.48 -0.20 -1.20 0.65 3.38 0.12 -2.74 115.31 115.80 1xpv h LEU 72 Ca -0.08 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1xpv h LEU 72 Cb 1.52 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.27 1xpv h LEU 72 CO 0.18 0.05 0.57 -0.78 0.09 0.00 0.00 178.44 178.54 1xpv h ASP 73 N -0.46 0.85 -0.33 -0.43 3.58 0.50 0.22 116.42 120.34 1xpv h ASP 73 Ca -0.02 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.53 1xpv h ASP 73 Cb 0.36 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1xpv h ASP 73 CO 0.04 0.54 0.54 0.00 -2.88 0.00 0.00 179.24 177.48 1xpv h ALA 74 N 1.53 1.97 -1.85 -0.78 0.00 -0.88 -3.40 119.26 115.85 1xpv h ALA 74 Ca 0.38 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.72 1xpv h ALA 74 Cb 0.24 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 1xpv h ALA 74 CO -0.14 -0.71 -0.61 0.00 0.00 0.00 0.00 179.25 177.79 1xpv s ALA 75 N -4.39 2.79 0.93 0.00 0.00 0.78 -5.09 121.76 116.78 1xpv s ALA 75 Ca -0.03 -2.18 -0.13 0.00 0.00 0.00 0.00 51.96 49.62 1xpv s ALA 75 Cb 0.12 0.37 0.15 0.00 0.00 0.00 0.00 23.12 23.75 1xpv s ALA 75 CO 0.41 -0.19 1.15 -1.25 0.00 0.00 0.00 175.76 175.88 1xpv s PRO 76 N -3.78 1.01 0.31 0.00 0.04 -1.26 -4.88 135.00 126.44 1xpv s PRO 76 Ca 0.35 0.24 0.05 0.00 0.04 0.00 0.00 61.00 61.68 1xpv s PRO 76 Cb 0.09 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1xpv s PRO 76 CO 0.17 -2.28 0.23 -3.38 0.04 0.00 0.00 177.00 171.78 1xpv s HIS 77 N -3.30 1.66 0.00 0.56 -3.43 -1.26 -4.96 115.29 104.55 1xpv s HIS 77 Ca 0.65 -1.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.34 1xpv s HIS 77 Cb -0.14 -0.74 0.00 0.00 -1.43 0.00 0.00 32.58 30.27 1xpv s HIS 77 CO 0.53 -0.76 0.00 0.00 -2.00 0.00 0.00 174.74 172.51