#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 -1.36 0.78 -5.12 0.00 -1.26 -5.03 121.76 109.76 1xpv s ALA 2 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 1xpv s ALA 2 Cb 0.00 0.73 0.14 0.00 0.00 0.00 0.00 23.12 23.99 1xpv s ALA 2 CO 0.00 -1.04 0.91 1.28 0.00 0.00 0.00 175.76 176.91 1xpv n LEU 3 N -0.50 0.00 -3.39 0.00 4.77 -1.26 -3.44 117.00 113.18 1xpv n LEU 3 Ca -0.05 -1.58 -0.03 0.00 -0.03 0.00 0.00 56.01 54.32 1xpv n LEU 3 Cb 0.60 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1xpv n LEU 3 CO 0.17 -1.02 0.09 -0.89 -1.33 0.00 0.00 177.39 174.41 1xpv s THR 4 N -2.79 -0.83 -0.24 -5.08 2.01 -1.00 -2.81 115.64 104.91 1xpv s THR 4 Ca 0.57 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.52 1xpv s THR 4 Cb -0.03 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1xpv s THR 4 CO 0.39 -0.02 0.04 -0.22 -0.69 0.00 0.00 174.62 174.11 1xpv s LEU 5 N 2.73 3.31 0.13 4.42 2.96 -1.06 -2.41 118.68 128.76 1xpv s LEU 5 Ca 0.09 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.47 1xpv s LEU 5 Cb -0.14 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 1xpv s LEU 5 CO -0.18 -0.01 0.94 -0.31 -1.32 0.00 0.00 176.35 175.46 1xpv s TYR 6 N 1.48 3.84 0.32 5.38 2.02 -1.20 -2.93 117.35 126.26 1xpv s TYR 6 Ca 0.06 1.79 0.04 0.00 -0.37 0.00 0.00 57.07 58.58 1xpv s TYR 6 Cb -0.15 -3.01 -0.06 0.00 -0.40 0.00 0.00 41.96 38.33 1xpv s TYR 6 CO 0.02 0.26 0.05 1.14 -1.57 0.00 0.00 175.55 175.45 1xpv s GLN 7 N -0.23 1.64 0.45 -0.62 -2.07 -0.55 -3.67 119.66 114.60 1xpv s GLN 7 Ca 0.45 -1.91 0.01 0.00 -1.82 0.00 0.00 55.36 52.09 1xpv s GLN 7 Cb -0.23 -0.89 -0.00 0.00 -1.09 0.00 0.00 33.01 30.80 1xpv s GLN 7 CO 0.29 -0.17 0.03 2.89 -1.32 0.00 0.00 175.29 177.01 1xpv n ARG 8 N -0.68 0.83 0.11 9.60 1.85 -1.26 -0.72 116.66 126.38 1xpv n ARG 8 Ca -0.02 -3.33 -0.13 0.00 -1.00 0.00 0.00 57.85 53.37 1xpv n ARG 8 Cb 0.66 1.07 -0.06 0.00 -1.05 0.00 0.00 32.46 33.08 1xpv n ARG 8 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1xpv h ASP 9 N 1.19 -0.34 -1.46 2.89 3.58 -1.97 -3.43 116.42 116.87 1xpv h ASP 9 Ca -0.37 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.09 1xpv h ASP 9 Cb 1.15 0.12 0.02 0.00 1.72 0.00 0.00 39.33 42.34 1xpv h ASP 9 CO 0.60 -0.20 0.00 -0.67 -2.88 0.00 0.00 179.24 176.09 1xpv n ASP 10 N -5.25 -1.50 -3.62 2.28 -0.08 -1.26 -5.08 116.55 102.04 1xpv n ASP 10 Ca -0.08 -0.37 -0.03 0.00 -1.51 0.00 0.00 54.79 52.81 1xpv n ASP 10 Cb 0.17 -0.08 -0.05 0.00 2.34 0.00 0.00 41.12 43.50 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 4.96 -2.03 0.07 0.00 -0.00 -1.26 -4.92 115.22 112.03 1xpv n HIS 12 Ca -0.15 0.09 -0.14 0.00 -0.00 0.00 0.00 57.72 57.53 1xpv n HIS 12 Cb 0.53 0.58 -0.05 0.00 -0.00 0.00 0.00 29.99 31.05 1xpv n HIS 12 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1xpv h LEU 13 N 0.00 0.54 -1.19 0.27 5.85 -2.00 -2.96 115.31 115.82 1xpv h LEU 13 Ca 0.00 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1xpv h LEU 13 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1xpv h LEU 13 CO 0.00 1.23 -0.34 0.00 -0.34 0.00 0.00 178.44 178.99 1xpv h ASP 15 N 0.00 -0.78 0.14 0.00 3.32 -1.88 0.17 116.42 117.39 1xpv h ASP 15 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1xpv h ASP 15 Cb 0.74 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1xpv h ASP 15 CO 0.04 -0.50 -0.03 1.56 -1.72 0.00 0.00 179.24 178.59 1xpv h GLN 16 N -1.02 0.00 0.01 3.56 4.20 -1.44 -1.72 115.11 118.69 1xpv h GLN 16 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1xpv h GLN 16 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1xpv h GLN 16 CO 0.16 0.03 -0.00 0.00 -0.67 0.00 0.00 178.83 178.34 1xpv h ALA 17 N 1.97 -0.01 -0.79 3.87 0.00 -0.79 -2.56 119.26 120.96 1xpv h ALA 17 Ca -0.00 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1xpv h ALA 17 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1xpv h ALA 17 CO 0.00 -0.19 0.51 0.28 0.00 0.00 0.00 179.25 179.86 1xpv h VAL 18 N -0.65 1.02 0.10 0.00 2.07 0.02 -1.32 116.25 117.49 1xpv h VAL 18 Ca -0.00 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1xpv h VAL 18 Cb 0.63 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xpv h VAL 18 CO 0.00 0.15 -0.05 -0.08 0.02 0.00 0.00 177.57 177.61 1xpv h GLU 19 N 0.83 -0.13 -0.92 1.57 4.81 -1.30 0.13 114.58 119.56 1xpv h GLU 19 Ca 0.34 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.67 1xpv h GLU 19 Cb 0.27 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 1xpv h GLU 19 CO -0.12 -0.09 0.56 0.00 -0.73 0.00 0.00 179.01 178.63 1xpv h ALA 20 N 0.77 1.31 0.76 2.92 0.00 -0.89 0.64 119.26 124.76 1xpv h ALA 20 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xpv h ALA 20 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xpv h ALA 20 CO 0.02 0.25 -0.41 -0.07 0.00 0.00 0.00 179.25 179.04 1xpv h LEU 21 N 0.97 -0.99 -0.58 0.00 3.38 -0.69 0.52 115.31 117.92 1xpv h LEU 21 Ca 0.43 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.51 1xpv h LEU 21 Cb 0.31 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1xpv h LEU 21 CO -0.22 -0.66 0.26 0.00 0.09 0.00 0.00 178.44 177.91 1xpv h ALA 22 N -0.87 0.75 -0.73 1.53 0.00 -0.39 0.11 119.26 119.66 1xpv h ALA 22 Ca -0.10 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xpv h ALA 22 Cb 0.84 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1xpv h ALA 22 CO 0.14 -0.11 0.43 1.96 0.00 0.00 0.00 179.25 181.67 1xpv h GLN 23 N 0.49 0.79 0.00 0.00 4.20 0.58 0.40 115.11 121.57 1xpv h GLN 23 Ca 0.27 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1xpv h GLN 23 Cb 0.25 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1xpv h GLN 23 CO -0.23 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.46 1xpv n ALA 24 N -2.34 2.50 -4.07 3.87 0.00 0.18 -4.87 120.51 115.79 1xpv n ALA 24 Ca 0.09 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1xpv n ALA 24 Cb 0.15 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.05 -4.35 0.11 0.00 1.74 0.14 -4.72 116.66 108.52 1xpv n ARG 25 Ca 0.20 0.49 -0.17 0.00 -0.77 0.00 0.00 57.85 57.60 1xpv n ARG 25 Cb 0.12 -5.30 -0.10 0.00 -1.02 0.00 0.00 32.46 26.15 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 0.95 -1.00 0.00 7.54 0.00 -1.56 -3.49 119.26 121.70 1xpv h ALA 26 Ca -0.58 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1xpv h ALA 26 Cb 1.38 0.91 0.00 0.00 0.00 0.00 0.00 17.79 20.08 1xpv h ALA 26 CO 0.73 -1.14 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1xpv n GLY 27 N -1.49 0.48 3.94 0.00 0.00 -1.26 -4.85 105.19 102.00 1xpv n GLY 27 Ca -0.09 -1.40 -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 -1.09 3.87 0.30 4.61 0.00 -1.26 -4.96 121.76 123.23 1xpv s ALA 28 Ca 0.00 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1xpv s ALA 28 Cb 0.00 -1.92 0.07 0.00 0.00 0.00 0.00 23.12 21.27 1xpv s ALA 28 CO 0.00 0.43 0.90 -0.59 0.00 0.00 0.00 175.76 176.50 1xpv s PHE 29 N -1.86 0.11 -0.07 0.00 -0.12 -1.26 -4.30 117.98 110.48 1xpv s PHE 29 Ca 0.37 -0.67 0.03 0.00 -0.05 0.00 0.00 56.93 56.60 1xpv s PHE 29 Cb -0.11 0.79 -0.02 0.00 -0.63 0.00 0.00 43.02 43.04 1xpv s PHE 29 CO 0.29 -1.30 -0.14 -0.06 -0.05 0.00 0.00 175.22 173.96 1xpv s PHE 30 N -2.20 2.74 -0.15 3.49 0.40 -1.12 -4.99 117.98 116.15 1xpv s PHE 30 Ca 0.18 -0.26 -0.06 0.00 -0.60 0.00 0.00 56.93 56.19 1xpv s PHE 30 Cb -0.04 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 1xpv s PHE 30 CO 0.09 0.10 0.05 -1.12 0.70 0.00 0.00 175.22 175.04 1xpv s SER 31 N -0.48 5.60 -0.13 1.36 0.01 -1.26 -2.57 113.70 116.24 1xpv s SER 31 Ca 0.06 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1xpv s SER 31 Cb -0.12 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.27 1xpv s SER 31 CO 0.02 0.26 -0.19 -0.69 0.41 0.00 0.00 173.24 173.04 1xpv s VAL 32 N -0.14 1.85 -0.13 3.43 1.01 -1.15 -5.00 120.40 120.27 1xpv s VAL 32 Ca 0.07 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 1xpv s VAL 32 Cb -0.12 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1xpv s VAL 32 CO 0.01 0.51 0.82 -0.36 0.00 0.00 0.00 175.10 176.08 1xpv s PHE 33 N 0.89 3.48 -0.71 5.22 0.40 -1.26 -1.48 117.98 124.51 1xpv s PHE 33 Ca -0.07 1.30 0.26 0.00 -0.60 0.00 0.00 56.93 57.83 1xpv s PHE 33 Cb -0.15 -2.98 0.79 0.00 0.51 0.00 0.00 43.02 41.19 1xpv s PHE 33 CO -0.02 -0.14 1.77 -0.84 0.70 0.00 0.00 175.22 176.69 1xpv h ILE 34 N 5.05 0.00 -3.09 0.64 3.07 -1.27 -3.44 117.51 118.47 1xpv h ILE 34 Ca -0.33 -0.50 -0.58 0.00 1.55 0.00 0.00 64.86 65.00 1xpv h ILE 34 Cb 1.16 1.50 0.11 0.00 -0.27 0.00 0.00 36.82 39.32 1xpv h ILE 34 CO 0.81 0.00 0.37 -0.67 -1.05 0.00 0.00 178.15 177.61 1xpv n ASP 35 N -2.31 2.21 0.00 2.16 2.03 -1.26 -1.73 116.55 117.64 1xpv n ASP 35 Ca 0.05 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.54 1xpv n ASP 35 Cb 0.43 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xpv n ASP 36 N 0.81 0.00 -4.55 1.67 2.03 -1.26 -4.88 116.55 110.37 1xpv n ASP 36 Ca 0.07 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.01 1xpv n ASP 36 Cb 0.36 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1xpv s ASP 37 N 0.00 5.05 0.36 1.67 1.11 -0.71 -4.78 116.67 119.37 1xpv s ASP 37 Ca 0.00 0.41 0.11 0.00 0.18 0.00 0.00 52.55 53.25 1xpv s ASP 37 Cb 0.00 -2.53 0.68 0.00 1.07 0.00 0.00 42.92 42.14 1xpv s ASP 37 CO 0.00 -2.55 1.81 0.00 1.18 0.00 0.00 175.17 175.61 1xpv h ALA 38 N 15.62 1.35 -0.08 5.23 0.00 -1.90 0.54 119.26 140.01 1xpv h ALA 38 Ca -0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1xpv h ALA 38 Cb 1.17 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xpv h ALA 38 CO 1.20 0.48 0.03 0.00 0.00 0.00 0.00 179.25 180.96 1xpv h ALA 39 N 1.58 0.10 -0.12 0.00 0.00 -1.91 0.38 119.26 119.29 1xpv h ALA 39 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1xpv h ALA 39 Cb 0.67 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xpv h ALA 39 CO 0.05 -0.33 -0.43 -0.07 0.00 0.00 0.00 179.25 178.47 1xpv h LEU 40 N -0.02 0.29 -0.20 0.00 3.38 -1.79 0.15 115.31 117.12 1xpv h LEU 40 Ca 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1xpv h LEU 40 Cb 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xpv h LEU 40 CO -0.00 0.69 0.03 -0.33 0.09 0.00 0.00 178.44 178.92 1xpv h GLU 41 N 0.23 0.33 0.00 1.13 4.39 -0.47 0.38 114.58 120.57 1xpv h GLU 41 Ca 0.02 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 1xpv h GLU 41 Cb 0.86 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1xpv h GLU 41 CO 0.07 0.48 -0.56 1.03 -1.16 0.00 0.00 179.01 178.87 1xpv h SER 42 N 0.13 0.00 -0.18 1.42 0.87 -0.13 1.50 113.55 117.16 1xpv h SER 42 Ca 0.06 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 1xpv h SER 42 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1xpv h SER 42 CO 0.00 0.56 -0.41 0.00 -0.53 0.00 0.00 176.83 176.46 1xpv h ALA 43 N 1.44 0.30 0.00 6.23 0.00 -0.43 -3.42 119.26 123.38 1xpv h ALA 43 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xpv h ALA 43 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xpv h ALA 43 CO 0.07 0.40 -0.10 0.66 0.00 0.00 0.00 179.25 180.28 1xpv n TYR 44 N -4.25 0.00 0.00 0.00 4.01 0.13 -4.93 117.16 112.12 1xpv n TYR 44 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1xpv n TYR 44 Cb 0.54 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 2.93 0.26 0.11 2.72 0.00 0.51 -0.73 105.19 110.98 1xpv n GLY 45 Ca -0.01 0.76 -0.01 0.00 0.00 0.00 0.00 46.02 46.76 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 0.00 -3.27 0.99 -0.00 -1.95 -3.26 115.31 107.83 1xpv h LEU 46 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.58 1xpv h LEU 46 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 40.52 1xpv h LEU 46 CO 0.00 0.67 0.38 0.54 -0.00 0.00 0.00 178.44 180.02 1xpv n ARG 47 N -3.18 1.73 -0.04 1.13 3.00 0.09 -4.46 116.66 114.93 1xpv n ARG 47 Ca -0.02 -1.53 -0.09 0.00 -0.01 0.00 0.00 57.85 56.21 1xpv n ARG 47 Cb 0.82 -1.60 -0.03 0.00 0.00 0.00 0.00 32.46 31.66 1xpv n ARG 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xpv h VAL 48 N 0.79 0.87 -0.27 1.55 2.07 -1.77 -3.24 116.25 116.23 1xpv h VAL 48 Ca 0.30 -0.03 -0.61 0.00 0.82 0.00 0.00 66.70 67.18 1xpv h VAL 48 Cb 1.32 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1xpv h VAL 48 CO 0.67 0.01 2.27 -0.81 0.02 0.00 0.00 177.57 179.73 1xpv n PRO 49 N -5.13 2.25 -4.56 1.57 -0.04 -1.24 -3.66 135.00 124.19 1xpv n PRO 49 Ca -0.02 -2.48 -0.31 0.00 -0.04 0.00 0.00 63.50 60.65 1xpv n PRO 49 Cb 0.11 -3.31 -0.17 0.00 -0.04 0.00 0.00 33.50 30.09 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 5.57 1.79 -0.35 0.52 1.01 -1.23 -3.82 120.40 123.89 1xpv s VAL 50 Ca 0.56 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1xpv s VAL 50 Cb 0.09 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 1xpv s VAL 50 CO 0.06 0.50 0.47 -0.22 0.00 0.00 0.00 175.10 175.90 1xpv s LEU 51 N 0.90 4.40 0.33 3.92 2.96 -1.22 -3.25 118.68 126.73 1xpv s LEU 51 Ca -0.07 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.81 1xpv s LEU 51 Cb -0.15 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 1xpv s LEU 51 CO -0.02 -0.44 0.02 0.00 -1.32 0.00 0.00 176.35 174.58 1xpv s ARG 52 N 2.27 2.13 0.38 1.98 1.70 -1.01 0.36 118.95 126.76 1xpv s ARG 52 Ca 0.16 -1.67 0.06 0.00 -0.47 0.00 0.00 55.73 53.81 1xpv s ARG 52 Cb -0.16 -1.99 -0.07 0.00 -0.57 0.00 0.00 34.95 32.16 1xpv s ARG 52 CO 0.13 0.17 0.02 -0.51 -1.08 0.00 0.00 175.30 174.03 1xpv s ASP 53 N -3.72 3.41 0.30 -2.89 1.01 0.55 -2.38 116.67 112.96 1xpv s ASP 53 Ca 0.34 -1.36 0.15 0.00 0.71 0.00 0.00 52.55 52.40 1xpv s ASP 53 Cb -0.02 -0.30 0.37 0.00 1.01 0.00 0.00 42.92 43.99 1xpv s ASP 53 CO 0.20 -0.48 1.59 1.55 0.21 0.00 0.00 175.17 178.23 1xpv h PRO 54 N 1.89 0.00 0.02 8.23 0.13 -1.88 -3.26 132.00 137.14 1xpv h PRO 54 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xpv h PRO 54 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xpv h PRO 54 CO 0.77 0.52 -0.01 0.52 -0.23 0.00 0.00 178.00 179.57 1xpv h MET 55 N 0.00 -0.03 0.00 0.86 2.86 -1.96 -3.47 114.93 113.19 1xpv h MET 55 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xpv h MET 55 Cb 1.15 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1xpv h MET 55 CO 0.07 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.58 1xpv n GLY 56 N -0.68 0.20 3.15 8.32 0.00 -1.23 -5.17 105.19 109.78 1xpv n GLY 56 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.99 118.95 115.72 1xpv s ARG 57 Ca 0.00 -1.30 -0.00 0.00 -0.52 0.00 0.00 55.73 53.91 1xpv s ARG 57 Cb 0.00 -0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 1xpv s ARG 57 CO 0.00 -0.04 0.02 -1.83 0.02 0.00 0.00 175.30 173.47 1xpv s GLU 58 N -3.81 0.87 0.06 3.54 4.04 -1.26 -0.33 118.70 121.81 1xpv s GLU 58 Ca 0.10 -1.39 0.06 0.00 0.04 0.00 0.00 54.97 53.78 1xpv s GLU 58 Cb 0.06 0.13 -0.03 0.00 0.02 0.00 0.00 34.13 34.31 1xpv s GLU 58 CO -0.06 -0.19 -0.17 -1.17 -1.84 0.00 0.00 175.26 171.83 1xpv s LEU 59 N -3.04 2.20 0.67 1.83 2.96 0.16 -4.97 118.68 118.49 1xpv s LEU 59 Ca 0.19 -0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 1xpv s LEU 59 Cb 0.07 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 1xpv s LEU 59 CO -0.01 0.07 1.16 0.47 -1.32 0.00 0.00 176.35 176.71 1xpv n ASP 60 N 1.67 1.40 0.10 3.68 9.92 -1.26 -3.39 116.55 128.67 1xpv n ASP 60 Ca -0.18 0.77 -0.12 0.00 -0.53 0.00 0.00 54.79 54.72 1xpv n ASP 60 Cb 0.54 -1.49 -0.05 0.00 -0.64 0.00 0.00 41.12 39.48 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 1xpv h TRP 61 N 0.23 -0.70 -3.14 1.24 -0.00 -1.98 -3.38 115.95 108.22 1xpv h TRP 61 Ca -0.49 0.02 -0.57 0.00 -0.00 0.00 0.00 58.89 57.85 1xpv h TRP 61 Cb 1.34 0.29 -0.05 0.00 -0.00 0.00 0.00 29.16 30.75 1xpv h TRP 61 CO 0.40 -0.36 1.01 -1.25 -0.00 0.00 0.00 178.44 178.24 1xpv s PRO 62 N -6.06 3.81 0.04 2.65 0.04 -1.26 -4.95 135.00 129.27 1xpv s PRO 62 Ca -0.15 1.21 -0.00 0.00 0.04 0.00 0.00 61.00 62.09 1xpv s PRO 62 Cb 0.08 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1xpv s PRO 62 CO 0.65 -1.25 0.06 1.97 0.04 0.00 0.00 177.00 178.47 1xpv n PHE 63 N 8.02 -0.65 -4.40 0.56 1.16 -1.26 -5.11 117.46 115.78 1xpv n PHE 63 Ca 0.16 -0.25 -0.22 0.00 -1.87 0.00 0.00 57.45 55.27 1xpv n PHE 63 Cb 0.47 0.07 -0.08 0.00 -1.61 0.00 0.00 39.48 38.32 1xpv n PHE 63 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1xpv s ASP 64 N -1.23 2.14 -0.01 5.98 1.01 -1.26 -4.96 116.67 118.34 1xpv s ASP 64 Ca 0.03 -1.68 -0.25 0.00 0.71 0.00 0.00 52.55 51.36 1xpv s ASP 64 Cb -0.00 0.50 -0.19 0.00 1.01 0.00 0.00 42.92 44.24 1xpv s ASP 64 CO 0.02 -0.97 1.32 0.00 0.21 0.00 0.00 175.17 175.75 1xpv h ALA 65 N 2.00 0.03 0.00 5.23 0.00 -1.92 0.76 119.26 125.35 1xpv h ALA 65 Ca -0.32 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1xpv h ALA 65 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1xpv h ALA 65 CO 0.49 -0.24 -0.33 -1.00 0.00 0.00 0.00 179.25 178.17 1xpv h PRO 66 N -0.39 0.00 0.06 0.00 0.13 -1.93 0.17 132.00 130.04 1xpv h PRO 66 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.87 1xpv h PRO 66 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1xpv h PRO 66 CO 0.00 0.33 -1.33 -0.09 -0.23 0.00 0.00 178.00 176.68 1xpv h ARG 67 N 0.00 0.13 0.13 0.86 2.43 -1.94 -1.86 114.38 114.14 1xpv h ARG 67 Ca -0.00 -0.23 -0.28 0.00 -0.81 0.00 0.00 59.98 58.66 1xpv h ARG 67 Cb 1.01 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1xpv h ARG 67 CO 0.04 1.00 -1.23 1.25 -1.51 0.00 0.00 179.97 179.52 1xpv h LEU 68 N 0.04 0.52 -0.02 3.80 5.85 0.61 -3.00 115.31 123.11 1xpv h LEU 68 Ca -0.15 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.02 1xpv h LEU 68 Cb 1.93 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1xpv h LEU 68 CO 0.15 1.40 -0.04 -0.09 -0.34 0.00 0.00 178.44 179.52 1xpv h ARG 69 N 0.11 0.06 -0.55 1.25 9.65 -1.05 -1.85 114.38 122.00 1xpv h ARG 69 Ca -0.15 -0.04 0.16 0.00 -1.10 0.00 0.00 59.98 58.85 1xpv h ARG 69 Cb 1.94 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.50 1xpv h ARG 69 CO 0.21 0.60 0.40 0.00 2.80 0.00 0.00 179.97 183.98 1xpv h ALA 70 N 0.46 2.48 -0.11 2.80 0.00 -1.44 0.35 119.26 123.80 1xpv h ALA 70 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1xpv h ALA 70 Cb 0.60 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xpv h ALA 70 CO 0.01 -0.64 -0.48 2.35 0.00 0.00 0.00 179.25 180.49 1xpv h TRP 71 N 0.03 0.69 0.04 0.00 7.01 -1.37 -2.75 115.95 119.60 1xpv h TRP 71 Ca 0.26 -0.30 0.01 0.00 2.11 0.00 0.00 58.89 60.97 1xpv h TRP 71 Cb 1.02 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 1xpv h TRP 71 CO -0.00 1.07 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.58 1xpv h LEU 72 N 0.12 -0.20 -1.27 0.65 3.38 0.40 -1.24 115.31 117.15 1xpv h LEU 72 Ca -0.03 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1xpv h LEU 72 Cb 1.11 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 1xpv h LEU 72 CO 0.10 -0.11 0.62 -0.78 0.09 0.00 0.00 178.44 178.36 1xpv h ASP 73 N -0.14 0.57 -0.10 -0.43 1.82 -0.70 1.40 116.42 118.84 1xpv h ASP 73 Ca 0.02 0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.76 1xpv h ASP 73 Cb 0.16 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 1xpv h ASP 73 CO -0.05 0.18 0.20 0.00 -1.61 0.00 0.00 179.24 177.96 1xpv h ALA 74 N 1.63 1.50 -1.84 -0.78 0.00 -0.91 -3.41 119.26 115.45 1xpv h ALA 74 Ca 0.55 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.85 1xpv h ALA 74 Cb 1.17 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 1xpv h ALA 74 CO -0.29 -0.25 -0.64 0.00 0.00 0.00 0.00 179.25 178.07 1xpv s ALA 75 N -4.38 3.10 1.03 0.00 0.00 0.48 -5.11 121.76 116.87 1xpv s ALA 75 Ca -0.04 -2.12 -0.04 0.00 0.00 0.00 0.00 51.96 49.76 1xpv s ALA 75 Cb 0.13 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.22 1xpv s ALA 75 CO 0.44 0.01 0.25 -0.35 0.00 0.00 0.00 175.76 176.12 1xpv n PRO 76 N -0.90 -0.86 -2.99 0.00 -0.04 -1.26 -4.67 135.00 124.29 1xpv n PRO 76 Ca -0.05 -0.39 -0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1xpv n PRO 76 Cb 0.64 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 -2.68 -0.01 -0.89 0.54 8.25 -1.26 -4.93 115.22 114.22 1xpv n HIS 77 Ca 0.03 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1xpv n HIS 77 Cb 0.12 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.30 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98