#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 -1.24 1.34 3.04 0.00 -1.26 -5.11 121.76 118.53 1xpv s ALA 2 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 1xpv s ALA 2 Cb 0.00 0.73 0.34 0.00 0.00 0.00 0.00 23.12 24.19 1xpv s ALA 2 CO 0.00 -1.03 1.00 -0.51 0.00 0.00 0.00 175.76 175.22 1xpv s LEU 3 N -3.32 -0.39 -0.28 0.00 1.43 -1.26 -4.67 118.68 110.19 1xpv s LEU 3 Ca 0.20 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1xpv s LEU 3 Cb -0.04 -2.33 0.17 0.00 0.03 0.00 0.00 46.19 44.03 1xpv s LEU 3 CO 0.08 -4.89 0.49 -0.89 0.23 0.00 0.00 176.35 171.37 1xpv s THR 4 N -2.56 -0.81 -0.31 5.49 2.01 -0.79 -2.70 115.64 115.98 1xpv s THR 4 Ca 0.70 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 1xpv s THR 4 Cb -0.12 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.48 1xpv s THR 4 CO 0.57 -0.10 0.06 -0.22 -0.69 0.00 0.00 174.62 174.25 1xpv s LEU 5 N 2.69 4.01 0.22 4.42 2.96 -1.10 -1.84 118.68 130.05 1xpv s LEU 5 Ca 0.14 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 52.72 1xpv s LEU 5 Cb -0.14 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 1xpv s LEU 5 CO -0.23 -0.26 1.24 -0.31 -1.32 0.00 0.00 176.35 175.47 1xpv s TYR 6 N 1.39 3.33 -0.23 5.38 2.02 -0.98 -3.39 117.35 124.87 1xpv s TYR 6 Ca -0.01 1.38 -0.27 0.00 -0.37 0.00 0.00 57.07 57.80 1xpv s TYR 6 Cb -0.19 -3.51 0.10 0.00 -0.40 0.00 0.00 41.96 37.96 1xpv s TYR 6 CO 0.01 -1.47 0.88 1.14 -1.57 0.00 0.00 175.55 174.55 1xpv s GLN 7 N -0.57 0.69 0.58 -0.62 -2.07 0.11 -3.59 119.66 114.19 1xpv s GLN 7 Ca 0.53 0.61 -0.05 0.00 -1.82 0.00 0.00 55.36 54.63 1xpv s GLN 7 Cb -0.35 0.33 0.12 0.00 -1.09 0.00 0.00 33.01 32.03 1xpv s GLN 7 CO 0.40 -0.13 0.79 2.89 -1.32 0.00 0.00 175.29 177.93 1xpv n ARG 8 N 1.97 -0.31 -1.60 9.60 1.85 -1.26 -3.76 116.66 123.15 1xpv n ARG 8 Ca -0.13 -1.70 -0.14 0.00 -1.00 0.00 0.00 57.85 54.88 1xpv n ARG 8 Cb 0.56 -0.67 -0.08 0.00 -1.05 0.00 0.00 32.46 31.23 1xpv n ARG 8 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1xpv s ASP 9 N -4.06 3.86 0.54 2.89 1.47 -1.26 -4.52 116.67 115.59 1xpv s ASP 9 Ca 0.49 -0.17 0.00 0.00 1.18 0.00 0.00 52.55 54.05 1xpv s ASP 9 Cb -0.02 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.00 1xpv s ASP 9 CO 0.33 -3.99 0.00 -0.67 0.68 0.00 0.00 175.17 171.52 1xpv n ASP 10 N 18.65 -7.82 -3.78 2.11 2.03 -1.26 -5.09 116.55 121.39 1xpv n ASP 10 Ca 0.46 1.67 0.03 0.00 0.52 0.00 0.00 54.79 57.47 1xpv n ASP 10 Cb 0.44 -4.58 0.01 0.00 -0.72 0.00 0.00 41.12 36.27 1xpv n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xpv n HIS 12 N -0.79 0.00 -0.29 0.00 -0.00 -1.26 -3.29 115.22 109.58 1xpv n HIS 12 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 1xpv n HIS 12 Cb 0.60 -0.91 0.17 0.00 -0.12 0.00 0.00 29.99 29.73 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 -0.42 1.01 -0.15 0.27 5.85 -1.99 0.22 115.31 120.10 1xpv h LEU 13 Ca -0.58 -0.04 -0.23 0.00 0.84 0.00 0.00 57.88 57.86 1xpv h LEU 13 Cb 1.70 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.49 1xpv h LEU 13 CO -0.23 0.75 -0.91 0.00 -0.34 0.00 0.00 178.44 177.72 1xpv h ASP 15 N 0.36 -0.84 -0.04 0.00 1.82 -1.29 0.29 116.42 116.72 1xpv h ASP 15 Ca -0.08 0.10 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1xpv h ASP 15 Cb 1.54 0.33 -0.00 0.00 0.68 0.00 0.00 39.33 41.87 1xpv h ASP 15 CO 0.17 -0.37 0.07 1.56 -1.61 0.00 0.00 179.24 179.06 1xpv h GLN 16 N -0.48 0.00 0.00 0.28 4.20 -1.03 -0.13 115.11 117.96 1xpv h GLN 16 Ca 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1xpv h GLN 16 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1xpv h GLN 16 CO -0.20 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 177.96 1xpv h ALA 17 N 1.89 -0.01 -0.63 3.87 0.00 -0.47 -2.78 119.26 121.14 1xpv h ALA 17 Ca 0.02 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1xpv h ALA 17 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xpv h ALA 17 CO -0.00 -0.11 0.42 0.28 0.00 0.00 0.00 179.25 179.83 1xpv h VAL 18 N -0.79 1.11 0.06 0.00 2.07 0.51 -1.20 116.25 118.02 1xpv h VAL 18 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1xpv h VAL 18 Cb 0.77 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xpv h VAL 18 CO 0.00 0.14 -0.05 -0.08 0.02 0.00 0.00 177.57 177.60 1xpv h GLU 19 N 0.78 -0.12 -0.87 1.57 4.81 -1.09 0.41 114.58 120.09 1xpv h GLU 19 Ca 0.24 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1xpv h GLU 19 Cb 0.01 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 1xpv h GLU 19 CO -0.06 -0.08 0.57 0.00 -0.73 0.00 0.00 179.01 178.71 1xpv h ALA 20 N 0.82 1.44 0.63 2.92 0.00 -1.10 0.58 119.26 124.55 1xpv h ALA 20 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xpv h ALA 20 Cb 0.11 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xpv h ALA 20 CO -0.01 0.49 -0.30 -0.07 0.00 0.00 0.00 179.25 179.36 1xpv h LEU 21 N 1.11 -0.72 -0.69 0.00 3.38 -0.55 0.61 115.31 118.44 1xpv h LEU 21 Ca 0.34 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.37 1xpv h LEU 21 Cb -0.02 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1xpv h LEU 21 CO -0.09 -0.39 0.35 0.00 0.09 0.00 0.00 178.44 178.39 1xpv h ALA 22 N -0.82 0.95 -0.69 1.53 0.00 0.14 0.31 119.26 120.68 1xpv h ALA 22 Ca -0.09 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 22 Cb 0.70 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1xpv h ALA 22 CO 0.14 -0.04 0.39 1.96 0.00 0.00 0.00 179.25 181.70 1xpv h GLN 23 N 0.60 0.70 0.00 0.00 4.20 0.29 0.29 115.11 121.18 1xpv h GLN 23 Ca 0.34 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1xpv h GLN 23 Cb 0.34 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1xpv h GLN 23 CO -0.26 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 1xpv n ALA 24 N -2.35 2.03 -3.57 3.87 0.00 0.19 -4.89 120.51 115.81 1xpv n ALA 24 Ca 0.09 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 1xpv n ALA 24 Cb 0.17 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.77 -7.77 -0.19 0.00 5.12 0.10 -4.86 116.66 107.29 1xpv n ARG 25 Ca 0.05 0.81 -0.01 0.00 -1.93 0.00 0.00 57.85 56.77 1xpv n ARG 25 Cb 0.29 -5.80 0.07 0.00 -1.16 0.00 0.00 32.46 25.86 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 0.99 0.46 0.00 7.54 0.00 -1.65 -3.48 119.26 123.12 1xpv h ALA 26 Ca -0.55 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xpv h ALA 26 Cb 1.36 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1xpv h ALA 26 CO 0.54 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1xpv n GLY 27 N -1.37 0.14 3.93 0.00 0.00 -1.26 -5.06 105.19 101.57 1xpv n GLY 27 Ca 0.07 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.72 3.87 0.26 4.61 0.00 -1.26 -4.99 121.76 122.53 1xpv s ALA 28 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1xpv s ALA 28 Cb 0.00 -1.93 0.05 0.00 0.00 0.00 0.00 23.12 21.24 1xpv s ALA 28 CO 0.00 0.45 0.65 1.97 0.00 0.00 0.00 175.76 178.83 1xpv n PHE 29 N -0.68 -1.82 -4.42 0.00 1.16 -1.26 -4.55 117.46 105.87 1xpv n PHE 29 Ca -0.05 -1.30 -0.34 0.00 -1.87 0.00 0.00 57.45 53.88 1xpv n PHE 29 Cb 0.54 0.65 -0.12 0.00 -1.61 0.00 0.00 39.48 38.94 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 -3.60 3.04 -0.17 2.97 0.08 -1.10 -4.97 117.98 114.22 1xpv s PHE 30 Ca 0.13 -0.17 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 1xpv s PHE 30 Cb -0.03 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 1xpv s PHE 30 CO 0.08 0.10 0.11 -1.12 -0.10 0.00 0.00 175.22 174.28 1xpv s SER 31 N 0.00 6.03 -0.05 1.36 0.01 -1.26 -2.69 113.70 117.10 1xpv s SER 31 Ca 0.01 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.56 1xpv s SER 31 Cb -0.13 -2.02 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 1xpv s SER 31 CO 0.03 0.23 -0.25 -0.69 0.41 0.00 0.00 173.24 172.97 1xpv s VAL 32 N 0.02 2.00 -0.26 3.43 1.01 -1.22 -5.01 120.40 120.37 1xpv s VAL 32 Ca 0.08 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 1xpv s VAL 32 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1xpv s VAL 32 CO -0.00 0.56 0.34 -0.36 0.00 0.00 0.00 175.10 175.63 1xpv s PHE 33 N -0.24 3.26 -0.29 5.22 0.08 -1.25 -0.71 117.98 124.05 1xpv s PHE 33 Ca -0.01 0.38 0.23 0.00 0.12 0.00 0.00 56.93 57.65 1xpv s PHE 33 Cb -0.13 -2.52 0.47 0.00 -0.57 0.00 0.00 43.02 40.27 1xpv s PHE 33 CO 0.03 -0.18 1.65 -0.84 -0.10 0.00 0.00 175.22 175.77 1xpv h ILE 34 N 5.33 0.16 -2.95 0.64 3.07 -1.93 -3.44 117.51 118.40 1xpv h ILE 34 Ca -0.33 -1.12 -0.59 0.00 1.55 0.00 0.00 64.86 64.37 1xpv h ILE 34 Cb 1.17 1.98 0.14 0.00 -0.27 0.00 0.00 36.82 39.84 1xpv h ILE 34 CO 0.64 0.09 -0.04 -0.90 -1.05 0.00 0.00 178.15 176.88 1xpv n ASP 35 N -3.13 0.40 0.00 2.16 5.68 -1.26 -1.58 116.55 118.82 1xpv n ASP 35 Ca 0.03 0.94 0.00 0.00 -0.50 0.00 0.00 54.79 55.26 1xpv n ASP 35 Cb 0.52 -1.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.23 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1xpv n ASP 36 N 0.50 0.00 -4.56 -1.12 2.03 -1.26 -4.86 116.55 107.28 1xpv n ASP 36 Ca 0.11 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.16 1xpv n ASP 36 Cb 0.41 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.76 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 4.99 0.43 1.67 1.01 -0.62 -4.75 116.67 119.40 1xpv s ASP 37 Ca 0.00 -0.47 0.09 0.00 0.71 0.00 0.00 52.55 52.88 1xpv s ASP 37 Cb 0.00 -2.55 0.93 0.00 1.01 0.00 0.00 42.92 42.31 1xpv s ASP 37 CO 0.00 -2.85 2.07 0.00 0.21 0.00 0.00 175.17 174.59 1xpv h ALA 38 N 11.92 1.78 -0.21 5.23 0.00 -1.89 0.43 119.26 136.51 1xpv h ALA 38 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 38 Cb 1.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1xpv h ALA 38 CO 1.18 0.20 0.10 0.00 0.00 0.00 0.00 179.25 180.74 1xpv h ALA 39 N 1.77 0.27 -0.12 0.00 0.00 -1.91 0.46 119.26 119.74 1xpv h ALA 39 Ca 0.14 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1xpv h ALA 39 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xpv h ALA 39 CO -0.03 -0.17 -0.48 -0.07 0.00 0.00 0.00 179.25 178.50 1xpv h LEU 40 N 0.22 0.33 -0.24 0.00 3.38 -1.57 0.93 115.31 118.35 1xpv h LEU 40 Ca 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1xpv h LEU 40 Cb 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xpv h LEU 40 CO -0.01 0.77 0.02 -0.33 0.09 0.00 0.00 178.44 178.98 1xpv h GLU 41 N 0.25 0.42 0.00 1.13 4.39 0.33 0.44 114.58 121.53 1xpv h GLU 41 Ca 0.01 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 1xpv h GLU 41 Cb 0.94 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1xpv h GLU 41 CO 0.08 0.57 -0.57 1.03 -1.16 0.00 0.00 179.01 178.96 1xpv h SER 42 N 0.20 0.00 -0.13 1.42 0.87 0.02 1.46 113.55 117.39 1xpv h SER 42 Ca 0.07 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.49 1xpv h SER 42 Cb 0.37 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1xpv h SER 42 CO 0.01 0.57 -0.49 0.00 -0.53 0.00 0.00 176.83 176.39 1xpv h ALA 43 N 1.43 0.24 0.00 6.23 0.00 -0.55 -3.42 119.26 123.19 1xpv h ALA 43 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xpv h ALA 43 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xpv h ALA 43 CO 0.07 0.41 -0.03 0.66 0.00 0.00 0.00 179.25 180.36 1xpv n TYR 44 N -4.22 0.00 0.00 0.00 4.01 0.15 -4.91 117.16 112.19 1xpv n TYR 44 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1xpv n TYR 44 Cb 0.59 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 2.30 0.30 0.08 2.72 0.00 0.50 -1.03 105.19 110.06 1xpv n GLY 45 Ca -0.00 0.80 -0.06 0.00 0.00 0.00 0.00 46.02 46.76 1xpv n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xpv h LEU 46 N 0.00 0.00 -3.36 0.99 7.12 -1.93 -3.27 115.31 114.86 1xpv h LEU 46 Ca 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 57.69 1xpv h LEU 46 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 39.98 1xpv h LEU 46 CO 0.00 0.92 0.41 0.54 -0.13 0.00 0.00 178.44 180.18 1xpv n ARG 47 N -3.24 1.79 -0.05 1.25 3.00 -0.20 -4.48 116.66 114.74 1xpv n ARG 47 Ca -0.04 -1.63 -0.08 0.00 -0.01 0.00 0.00 57.85 56.09 1xpv n ARG 47 Cb 0.94 -1.64 -0.02 0.00 0.00 0.00 0.00 32.46 31.74 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 0.85 0.84 -0.06 1.55 2.07 -1.78 -3.20 116.25 116.53 1xpv h VAL 48 Ca 0.32 -0.03 -0.66 0.00 0.82 0.00 0.00 66.70 67.15 1xpv h VAL 48 Cb 1.22 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1xpv h VAL 48 CO 0.74 0.01 2.60 -0.81 0.02 0.00 0.00 177.57 180.14 1xpv n PRO 49 N -5.14 2.17 -5.06 1.57 -0.04 -1.24 -3.85 135.00 123.41 1xpv n PRO 49 Ca -0.02 -2.27 -0.32 0.00 -0.04 0.00 0.00 63.50 60.85 1xpv n PRO 49 Cb 0.12 -3.14 -0.15 0.00 -0.04 0.00 0.00 33.50 30.29 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 4.46 2.54 -0.13 0.52 1.01 -1.21 -4.05 120.40 123.54 1xpv s VAL 50 Ca 0.53 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1xpv s VAL 50 Cb 0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1xpv s VAL 50 CO 0.03 0.56 0.02 -0.76 0.00 0.00 0.00 175.10 174.95 1xpv s LEU 51 N -0.14 3.66 0.00 3.92 1.43 -1.24 -2.31 118.68 124.01 1xpv s LEU 51 Ca -0.03 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1xpv s LEU 51 Cb -0.14 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1xpv s LEU 51 CO 0.04 0.28 -0.04 0.00 0.23 0.00 0.00 176.35 176.86 1xpv s ARG 52 N -0.30 0.30 0.22 1.70 1.70 -0.77 -1.26 118.95 120.54 1xpv s ARG 52 Ca 0.07 -0.22 0.07 0.00 -0.47 0.00 0.00 55.73 55.18 1xpv s ARG 52 Cb -0.12 -0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 33.97 1xpv s ARG 52 CO 0.02 0.06 -0.12 -0.51 -1.08 0.00 0.00 175.30 173.67 1xpv s ASP 53 N -0.33 2.56 0.37 -2.89 1.01 0.14 -1.89 116.67 115.64 1xpv s ASP 53 Ca -0.01 -1.06 0.27 0.00 0.71 0.00 0.00 52.55 52.46 1xpv s ASP 53 Cb -0.03 -0.13 0.88 0.00 1.01 0.00 0.00 42.92 44.65 1xpv s ASP 53 CO -0.00 -0.22 1.78 1.55 0.21 0.00 0.00 175.17 178.49 1xpv h PRO 54 N 2.51 0.00 0.00 8.23 0.13 -1.86 -3.28 132.00 137.73 1xpv h PRO 54 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xpv h PRO 54 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xpv h PRO 54 CO 0.63 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.07 1xpv n MET 55 N -2.69 0.00 0.16 0.86 2.81 -1.26 -4.81 117.12 112.18 1xpv n MET 55 Ca 0.03 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.03 1xpv n MET 55 Cb 0.37 -0.31 0.59 0.00 -0.71 0.00 0.00 33.22 33.16 1xpv n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xpv n GLY 56 N 1.26 -0.94 7.00 3.03 0.00 -1.26 -4.95 105.19 109.33 1xpv n GLY 56 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1xpv n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpv n ARG 57 N -2.27 0.00 -4.52 1.61 1.74 -1.24 -4.75 116.66 107.23 1xpv n ARG 57 Ca -0.01 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 1xpv n ARG 57 Cb 0.07 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.40 1xpv n ARG 57 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1xpv s GLU 58 N 0.00 2.52 0.06 5.56 1.03 -1.26 0.23 118.70 126.85 1xpv s GLU 58 Ca 0.00 -0.73 0.06 0.00 0.03 0.00 0.00 54.97 54.33 1xpv s GLU 58 Cb 0.00 -2.47 -0.04 0.00 -0.80 0.00 0.00 34.13 30.82 1xpv s GLU 58 CO 0.00 0.60 -0.10 -1.17 -1.33 0.00 0.00 175.26 173.27 1xpv s LEU 59 N -1.32 3.03 0.96 1.83 2.96 -0.39 -4.97 118.68 120.77 1xpv s LEU 59 Ca 0.16 -0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 1xpv s LEU 59 Cb -0.11 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1xpv s LEU 59 CO 0.06 0.22 0.19 0.47 -1.32 0.00 0.00 176.35 175.98 1xpv n ASP 60 N 1.11 -2.79 0.13 3.68 9.92 -1.26 -3.59 116.55 123.76 1xpv n ASP 60 Ca -0.14 0.31 -0.14 0.00 -0.53 0.00 0.00 54.79 54.29 1xpv n ASP 60 Cb 0.52 -1.13 -0.08 0.00 -0.64 0.00 0.00 41.12 39.79 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 -1.45 -0.29 -2.90 1.24 -0.00 -1.96 -3.41 115.95 107.18 1xpv h TRP 61 Ca -0.44 -0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.88 1xpv h TRP 61 Cb 1.29 0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 30.50 1xpv h TRP 61 CO 0.36 -0.02 0.91 -1.25 -0.00 0.00 0.00 178.44 178.44 1xpv s PRO 62 N -5.19 4.22 0.30 2.65 0.04 -1.26 -4.96 135.00 130.80 1xpv s PRO 62 Ca -0.15 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 1xpv s PRO 62 Cb 0.03 -3.77 0.02 0.00 0.04 0.00 0.00 34.50 30.82 1xpv s PRO 62 CO 0.61 -0.72 0.71 -0.59 0.04 0.00 0.00 177.00 177.05 1xpv s PHE 63 N 3.54 -0.08 0.23 0.56 -0.12 -1.26 -5.10 117.98 115.73 1xpv s PHE 63 Ca 0.55 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 1xpv s PHE 63 Cb -0.22 0.68 0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1xpv s PHE 63 CO 0.15 -1.28 0.14 -0.25 -0.05 0.00 0.00 175.22 173.93 1xpv n ASP 64 N -0.63 1.89 -0.05 1.98 8.00 -1.26 -4.94 116.55 121.54 1xpv n ASP 64 Ca -0.05 -1.81 -0.14 0.00 0.71 0.00 0.00 54.79 53.50 1xpv n ASP 64 Cb 0.59 0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.79 0.00 0.00 2.24 0.00 -1.97 -0.56 119.26 119.77 1xpv h ALA 65 Ca -0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1xpv h ALA 65 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xpv h ALA 65 CO 0.24 -0.04 -0.16 -1.00 0.00 0.00 0.00 179.25 178.29 1xpv h PRO 66 N -0.77 0.00 0.07 0.00 0.13 -1.95 -0.15 132.00 129.32 1xpv h PRO 66 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1xpv h PRO 66 Cb 0.89 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1xpv h PRO 66 CO 0.01 0.16 -1.34 -0.09 -0.23 0.00 0.00 178.00 176.51 1xpv h ARG 67 N 0.00 0.14 0.21 0.86 2.43 -1.96 -1.70 114.38 114.36 1xpv h ARG 67 Ca -0.00 -0.25 -0.32 0.00 -0.81 0.00 0.00 59.98 58.60 1xpv h ARG 67 Cb 0.87 0.09 0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1xpv h ARG 67 CO 0.02 1.02 -1.40 1.25 -1.51 0.00 0.00 179.97 179.35 1xpv h LEU 68 N 0.04 0.82 0.01 3.80 5.85 -0.99 -2.85 115.31 121.99 1xpv h LEU 68 Ca -0.16 -0.84 -0.00 0.00 0.84 0.00 0.00 57.88 57.72 1xpv h LEU 68 Cb 1.93 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1xpv h LEU 68 CO 0.15 1.65 -0.00 -0.09 -0.34 0.00 0.00 178.44 179.81 1xpv h ARG 69 N 0.18 -0.01 -0.47 1.25 9.65 -1.13 -0.80 114.38 123.05 1xpv h ARG 69 Ca -0.23 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 58.77 1xpv h ARG 69 Cb 2.09 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.65 1xpv h ARG 69 CO 0.26 0.44 0.33 0.00 2.80 0.00 0.00 179.97 183.80 1xpv h ALA 70 N 0.53 2.31 -0.02 2.80 0.00 -1.42 0.56 119.26 124.02 1xpv h ALA 70 Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1xpv h ALA 70 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xpv h ALA 70 CO 0.00 -0.43 -0.86 2.35 0.00 0.00 0.00 179.25 180.30 1xpv h TRP 71 N 0.10 0.47 -0.37 0.00 7.01 -1.28 -1.00 115.95 120.87 1xpv h TRP 71 Ca 0.22 -0.24 -0.05 0.00 2.11 0.00 0.00 58.89 60.92 1xpv h TRP 71 Cb 0.75 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 1xpv h TRP 71 CO -0.00 1.04 0.02 -0.07 -2.79 0.00 0.00 178.44 176.64 1xpv h LEU 72 N 0.19 0.63 0.00 0.65 3.38 0.15 -1.55 115.31 118.76 1xpv h LEU 72 Ca -0.05 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1xpv h LEU 72 Cb 1.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1xpv h LEU 72 CO 0.14 0.76 0.00 0.47 0.09 0.00 0.00 178.44 179.91 1xpv n ASP 73 N -4.50 0.00 0.11 -0.43 8.00 0.51 -2.52 116.55 117.72 1xpv n ASP 73 Ca -0.01 -0.08 0.07 0.00 0.71 0.00 0.00 54.79 55.47 1xpv n ASP 73 Cb 0.26 -0.30 0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1xpv n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpv h ALA 74 N 3.31 0.66 -0.99 2.24 0.00 -0.19 -3.35 119.26 120.93 1xpv h ALA 74 Ca 0.00 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.72 1xpv h ALA 74 Cb 0.28 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.99 1xpv h ALA 74 CO 0.00 0.38 -0.44 0.00 0.00 0.00 0.00 179.25 179.19 1xpv n ALA 75 N -2.24 -0.25 -1.53 0.00 0.00 -0.87 -4.45 120.51 111.17 1xpv n ALA 75 Ca -0.02 0.95 -0.29 0.00 0.00 0.00 0.00 53.44 54.08 1xpv n ALA 75 Cb 0.66 -0.36 0.15 0.00 0.00 0.00 0.00 19.45 19.90 1xpv n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xpv s PRO 76 N -5.82 0.90 -0.26 0.00 0.04 -1.26 -4.70 135.00 123.90 1xpv s PRO 76 Ca -0.13 0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.14 1xpv s PRO 76 Cb 0.18 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.96 1xpv s PRO 76 CO 0.68 -2.34 -0.11 -1.01 0.04 0.00 0.00 177.00 174.26 1xpv s HIS 77 N -3.31 3.26 0.00 0.56 3.76 -1.26 -5.06 115.29 113.24 1xpv s HIS 77 Ca 0.65 -2.31 0.00 0.00 -0.15 0.00 0.00 55.06 53.25 1xpv s HIS 77 Cb -0.13 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.63 1xpv s HIS 77 CO 0.53 -0.88 0.15 0.00 -0.85 0.00 0.00 174.74 173.70