#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 3.76 0.42 3.04 0.00 -1.25 -4.15 121.76 123.58 1xpv s ALA 2 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1xpv s ALA 2 Cb 0.00 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 1xpv s ALA 2 CO 0.00 0.44 0.01 1.28 0.00 0.00 0.00 175.76 177.49 1xpv n LEU 3 N 2.41 0.00 -3.61 0.00 4.77 -1.23 -4.37 117.00 114.96 1xpv n LEU 3 Ca -0.17 -2.67 -0.27 0.00 -0.03 0.00 0.00 56.01 52.88 1xpv n LEU 3 Cb 0.53 0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 41.80 1xpv n LEU 3 CO 0.35 -0.38 -0.33 -0.89 -1.33 0.00 0.00 177.39 174.80 1xpv s THR 4 N -2.56 0.02 -0.42 -5.08 2.01 0.16 0.14 115.64 109.91 1xpv s THR 4 Ca 0.01 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 1xpv s THR 4 Cb 0.00 -0.79 0.10 0.00 0.01 0.00 0.00 72.50 71.82 1xpv s THR 4 CO 0.01 -0.42 0.23 -0.22 -0.69 0.00 0.00 174.62 173.53 1xpv s LEU 5 N 2.08 5.20 0.41 4.42 2.96 -1.09 0.69 118.68 133.35 1xpv s LEU 5 Ca 0.04 -1.77 -0.26 0.00 -0.22 0.00 0.00 54.13 51.92 1xpv s LEU 5 Cb -0.16 -1.91 -0.08 0.00 0.50 0.00 0.00 46.19 44.54 1xpv s LEU 5 CO -0.18 -0.55 1.29 -0.31 -1.32 0.00 0.00 176.35 175.28 1xpv s TYR 6 N 1.29 2.82 -0.20 5.38 2.02 -1.03 -3.71 117.35 123.91 1xpv s TYR 6 Ca 0.05 1.43 -0.30 0.00 -0.37 0.00 0.00 57.07 57.87 1xpv s TYR 6 Cb -0.23 -3.64 0.15 0.00 -0.40 0.00 0.00 41.96 37.84 1xpv s TYR 6 CO -0.01 -2.03 1.15 1.14 -1.57 0.00 0.00 175.55 174.23 1xpv s GLN 7 N -2.29 0.38 -0.27 -0.62 -2.07 -0.14 -3.62 119.66 111.02 1xpv s GLN 7 Ca 0.58 0.04 -0.02 0.00 -1.82 0.00 0.00 55.36 54.14 1xpv s GLN 7 Cb -0.37 0.18 0.09 0.00 -1.09 0.00 0.00 33.01 31.82 1xpv s GLN 7 CO 0.47 -0.13 0.09 -0.98 -1.32 0.00 0.00 175.29 173.42 1xpv s ARG 8 N -1.35 0.59 -0.25 9.60 1.04 -1.26 -3.86 118.95 123.46 1xpv s ARG 8 Ca 0.04 -0.78 -0.00 0.00 -1.04 0.00 0.00 55.73 53.94 1xpv s ARG 8 Cb -0.01 -1.85 0.00 0.00 -2.04 0.00 0.00 34.95 31.06 1xpv s ARG 8 CO -0.03 -0.90 0.00 -3.47 -0.04 0.00 0.00 175.30 170.86 1xpv n ASP 9 N 4.99 -6.72 -4.64 -2.89 -0.08 -1.26 -4.87 116.55 101.07 1xpv n ASP 9 Ca -0.05 1.16 -0.43 0.00 -1.51 0.00 0.00 54.79 53.96 1xpv n ASP 9 Cb 0.43 -4.49 -0.02 0.00 2.34 0.00 0.00 41.12 39.38 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xpv s ASP 10 N -1.29 6.68 -0.15 1.67 2.15 -1.26 -4.83 116.67 119.63 1xpv s ASP 10 Ca -0.00 1.66 -0.04 0.00 0.43 0.00 0.00 52.55 54.60 1xpv s ASP 10 Cb 0.00 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1xpv s ASP 10 CO 0.63 -1.00 -0.17 0.00 -0.17 0.00 0.00 175.17 174.46 1xpv n HIS 12 N -3.35 -3.87 -0.31 0.00 -0.00 -1.26 -4.84 115.22 101.59 1xpv n HIS 12 Ca -0.28 1.03 0.17 0.00 0.46 0.00 0.00 57.72 59.10 1xpv n HIS 12 Cb 0.74 2.74 0.35 0.00 -0.12 0.00 0.00 29.99 33.71 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 0.15 -0.26 0.27 5.85 -1.96 1.34 115.31 120.69 1xpv h LEU 13 Ca 0.00 0.20 -0.20 0.00 0.84 0.00 0.00 57.88 58.72 1xpv h LEU 13 Cb 0.00 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1xpv h LEU 13 CO 0.00 -0.16 -0.66 0.00 -0.34 0.00 0.00 178.44 177.27 1xpv h ASP 15 N 0.57 0.73 -0.56 0.00 3.58 0.12 0.12 116.42 120.98 1xpv h ASP 15 Ca -0.02 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 1xpv h ASP 15 Cb 1.27 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 1xpv h ASP 15 CO 0.14 0.38 -0.00 1.56 -2.88 0.00 0.00 179.24 178.44 1xpv h GLN 16 N 0.78 1.02 -0.06 0.28 4.20 -0.10 -0.93 115.11 120.30 1xpv h GLN 16 Ca 0.45 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1xpv h GLN 16 Cb 0.61 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1xpv h GLN 16 CO -0.21 1.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.96 1xpv h ALA 17 N 1.05 0.05 -0.48 3.87 0.00 -0.62 -0.25 119.26 122.88 1xpv h ALA 17 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xpv h ALA 17 Cb 0.55 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xpv h ALA 17 CO 0.03 -0.47 0.25 0.28 0.00 0.00 0.00 179.25 179.33 1xpv h VAL 18 N 0.02 1.16 0.02 0.00 2.07 -1.09 -1.59 116.25 116.83 1xpv h VAL 18 Ca 0.03 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1xpv h VAL 18 Cb 0.03 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1xpv h VAL 18 CO -0.05 0.18 -0.01 -0.08 0.02 0.00 0.00 177.57 177.63 1xpv h GLU 19 N 0.67 -0.02 -0.89 1.57 4.22 -0.12 0.31 114.58 120.31 1xpv h GLU 19 Ca 0.17 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.64 1xpv h GLU 19 Cb 0.04 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1xpv h GLU 19 CO -0.03 -0.01 0.58 0.00 -2.18 0.00 0.00 179.01 177.38 1xpv h ALA 20 N 0.94 1.43 0.76 2.92 0.00 -0.56 0.72 119.26 125.47 1xpv h ALA 20 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xpv h ALA 20 Cb 0.03 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.51 1xpv h ALA 20 CO 0.00 0.49 -0.36 -0.07 0.00 0.00 0.00 179.25 179.31 1xpv h LEU 21 N 1.12 -0.86 -0.75 0.00 3.38 -0.68 0.11 115.31 117.64 1xpv h LEU 21 Ca 0.35 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.43 1xpv h LEU 21 Cb -0.00 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1xpv h LEU 21 CO -0.10 -0.51 0.39 0.00 0.09 0.00 0.00 178.44 178.31 1xpv h ALA 22 N -1.14 1.05 -0.12 1.53 0.00 -0.10 0.14 119.26 120.63 1xpv h ALA 22 Ca -0.10 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xpv h ALA 22 Cb 0.80 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1xpv h ALA 22 CO 0.17 -0.00 -0.08 1.96 0.00 0.00 0.00 179.25 181.30 1xpv h GLN 23 N 0.66 -0.07 0.00 0.00 4.20 0.56 0.20 115.11 120.66 1xpv h GLN 23 Ca 0.37 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1xpv h GLN 23 Cb 0.37 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1xpv h GLN 23 CO -0.26 -0.05 0.00 0.00 -0.67 0.00 0.00 178.83 177.85 1xpv n ALA 24 N -2.39 1.51 -3.19 3.87 0.00 0.39 -4.85 120.51 115.84 1xpv n ALA 24 Ca -0.04 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 1xpv n ALA 24 Cb 0.14 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.05 -5.45 0.02 0.00 1.74 0.69 -4.89 116.66 106.73 1xpv n ARG 25 Ca 0.02 0.66 -0.14 0.00 -0.77 0.00 0.00 57.85 57.61 1xpv n ARG 25 Cb 0.17 -5.11 -0.09 0.00 -1.02 0.00 0.00 32.46 26.41 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 0.78 -0.88 0.00 7.54 0.00 -1.61 -3.49 119.26 121.60 1xpv h ALA 26 Ca -0.43 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xpv h ALA 26 Cb 1.28 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1xpv h ALA 26 CO 0.43 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1xpv n GLY 27 N -1.40 0.43 3.94 0.00 0.00 -1.26 -5.02 105.19 101.88 1xpv n GLY 27 Ca -0.06 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.16 3.91 0.32 4.61 0.00 -1.26 -4.97 121.76 123.21 1xpv s ALA 28 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 1xpv s ALA 28 Cb 0.00 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.31 1xpv s ALA 28 CO 0.00 0.51 0.88 1.97 0.00 0.00 0.00 175.76 179.12 1xpv n PHE 29 N -0.56 -2.01 -4.60 0.00 1.16 -1.26 -3.57 117.46 106.62 1xpv n PHE 29 Ca -0.06 -1.65 -0.32 0.00 -1.87 0.00 0.00 57.45 53.55 1xpv n PHE 29 Cb 0.54 0.82 -0.11 0.00 -1.61 0.00 0.00 39.48 39.11 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 -2.13 2.81 -0.07 2.97 0.08 0.12 -4.83 117.98 116.93 1xpv s PHE 30 Ca 0.18 -0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.11 1xpv s PHE 30 Cb -0.04 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1xpv s PHE 30 CO 0.10 0.31 0.11 0.45 -0.10 0.00 0.00 175.22 176.08 1xpv s SER 31 N -1.20 6.00 -0.04 1.36 0.15 -1.26 -2.69 113.70 116.03 1xpv s SER 31 Ca 0.15 0.31 0.03 0.00 0.70 0.00 0.00 55.95 57.14 1xpv s SER 31 Cb -0.11 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1xpv s SER 31 CO 0.05 0.35 -0.11 -0.69 1.20 0.00 0.00 173.24 174.03 1xpv s VAL 32 N -1.08 0.99 -0.16 4.45 1.01 -1.24 -4.99 120.40 119.38 1xpv s VAL 32 Ca 0.18 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1xpv s VAL 32 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1xpv s VAL 32 CO 0.08 0.31 0.13 -0.36 0.00 0.00 0.00 175.10 175.25 1xpv s PHE 33 N 0.28 3.49 -0.58 5.22 0.08 -1.25 -0.97 117.98 124.24 1xpv s PHE 33 Ca -0.06 0.41 0.24 0.00 0.12 0.00 0.00 56.93 57.64 1xpv s PHE 33 Cb -0.11 -2.03 0.27 0.00 -0.57 0.00 0.00 43.02 40.58 1xpv s PHE 33 CO 0.01 0.51 1.26 -0.84 -0.10 0.00 0.00 175.22 176.07 1xpv h ILE 34 N 4.32 0.00 -2.68 0.64 3.07 -1.94 -3.47 117.51 117.45 1xpv h ILE 34 Ca -0.48 -0.56 -0.48 0.00 1.55 0.00 0.00 64.86 64.89 1xpv h ILE 34 Cb 1.19 1.11 0.23 0.00 -0.27 0.00 0.00 36.82 39.08 1xpv h ILE 34 CO 0.66 0.00 -0.90 -0.90 -1.05 0.00 0.00 178.15 175.96 1xpv n ASP 35 N -2.18 -2.27 -4.06 2.16 5.75 -1.26 -3.23 116.55 111.47 1xpv n ASP 35 Ca 0.03 0.02 -0.43 0.00 -0.01 0.00 0.00 54.79 54.39 1xpv n ASP 35 Cb 0.45 -1.04 0.01 0.00 -1.03 0.00 0.00 41.12 39.51 1xpv n ASP 35 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1xpv n ASP 36 N -1.65 -3.71 0.00 -1.12 8.00 -1.26 -4.88 116.55 111.92 1xpv n ASP 36 Ca 0.03 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1xpv n ASP 36 Cb 0.59 -1.88 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 1xpv n ASP 36 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xpv n ASP 37 N -2.29 0.00 -0.16 -2.24 -0.08 -1.20 -5.02 116.55 105.55 1xpv n ASP 37 Ca -0.13 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.16 1xpv n ASP 37 Cb 0.58 0.00 0.29 0.00 2.34 0.00 0.00 41.12 44.33 1xpv n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xpv h ALA 38 N 0.00 1.52 -0.68 -1.67 0.00 -1.90 -1.33 119.26 115.20 1xpv h ALA 38 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1xpv h ALA 38 Cb 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.43 1xpv h ALA 38 CO 0.00 0.44 0.18 0.00 0.00 0.00 0.00 179.25 179.87 1xpv h ALA 39 N 1.58 0.86 -0.02 0.00 0.00 -1.95 1.10 119.26 120.82 1xpv h ALA 39 Ca 0.24 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 1xpv h ALA 39 Cb -0.09 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xpv h ALA 39 CO -0.05 -0.30 -0.60 -0.07 0.00 0.00 0.00 179.25 178.24 1xpv h LEU 40 N 0.30 0.09 -0.03 0.00 3.38 -1.56 0.93 115.31 118.42 1xpv h LEU 40 Ca 0.37 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1xpv h LEU 40 Cb 0.58 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xpv h LEU 40 CO -0.44 0.66 -0.01 -0.33 0.09 0.00 0.00 178.44 178.42 1xpv h GLU 41 N 0.06 0.06 0.00 1.13 5.08 0.86 0.24 114.58 122.01 1xpv h GLU 41 Ca -0.01 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1xpv h GLU 41 Cb 1.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1xpv h GLU 41 CO 0.08 0.40 -0.54 1.03 -1.00 0.00 0.00 179.01 178.98 1xpv h SER 42 N -0.29 0.00 -0.20 1.42 0.87 0.10 1.39 113.55 116.84 1xpv h SER 42 Ca 0.01 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1xpv h SER 42 Cb 0.38 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1xpv h SER 42 CO 0.00 0.54 -0.26 0.00 -0.53 0.00 0.00 176.83 176.59 1xpv h ALA 43 N 1.46 0.30 0.00 6.23 0.00 -0.68 -3.43 119.26 123.15 1xpv h ALA 43 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xpv h ALA 43 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xpv h ALA 43 CO 0.07 0.29 -0.06 0.66 0.00 0.00 0.00 179.25 180.20 1xpv n TYR 44 N -4.38 0.00 0.00 0.00 4.01 0.82 -4.92 117.16 112.69 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 0.44 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 3.15 0.36 0.07 2.72 0.00 0.48 -1.10 105.19 110.86 1xpv n GLY 45 Ca -0.01 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.48 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 0.38 -2.01 0.99 7.99 -1.26 -4.16 117.00 118.93 1xpv n LEU 46 Ca 0.00 0.16 -0.22 0.00 -0.01 0.00 0.00 56.01 55.94 1xpv n LEU 46 Cb 0.00 0.08 0.06 0.00 -0.11 0.00 0.00 43.42 43.45 1xpv n LEU 46 CO 0.00 0.07 1.27 0.54 -1.51 0.00 0.00 177.39 177.76 1xpv n ARG 47 N -2.57 2.07 -0.13 3.23 3.00 -0.26 -4.46 116.66 117.55 1xpv n ARG 47 Ca -0.09 -2.13 -0.10 0.00 -0.01 0.00 0.00 57.85 55.53 1xpv n ARG 47 Cb 0.72 -1.83 -0.01 0.00 0.00 0.00 0.00 32.46 31.33 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 0.96 1.22 0.00 1.55 2.07 -1.79 -3.23 116.25 117.03 1xpv h VAL 48 Ca 0.40 -0.75 -0.52 0.00 0.82 0.00 0.00 66.70 66.65 1xpv h VAL 48 Cb 1.03 1.00 0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1xpv h VAL 48 CO 1.01 0.26 3.12 -0.81 0.02 0.00 0.00 177.57 181.16 1xpv n PRO 49 N -4.60 2.73 -4.11 1.57 -0.04 -1.24 -3.64 135.00 125.68 1xpv n PRO 49 Ca -0.01 -1.81 -0.35 0.00 -0.04 0.00 0.00 63.50 61.29 1xpv n PRO 49 Cb 0.20 -2.64 -0.13 0.00 -0.04 0.00 0.00 33.50 30.89 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 2.98 3.79 -0.28 0.52 1.01 -1.22 -3.78 120.40 123.41 1xpv s VAL 50 Ca 0.53 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 1xpv s VAL 50 Cb 0.14 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1xpv s VAL 50 CO -0.04 0.44 0.78 -0.22 0.00 0.00 0.00 175.10 176.05 1xpv s LEU 51 N 1.01 4.08 0.09 3.92 0.20 -1.20 -2.48 118.68 124.31 1xpv s LEU 51 Ca 0.01 0.76 0.06 0.00 0.69 0.00 0.00 54.13 55.65 1xpv s LEU 51 Cb -0.14 -3.07 -0.04 0.00 -0.43 0.00 0.00 46.19 42.51 1xpv s LEU 51 CO 0.01 -0.56 -0.08 -0.60 -0.29 0.00 0.00 176.35 174.84 1xpv s ARG 52 N 2.86 2.27 0.32 1.98 3.52 0.22 -1.25 118.95 128.86 1xpv s ARG 52 Ca 0.32 -0.94 0.10 0.00 -0.13 0.00 0.00 55.73 55.08 1xpv s ARG 52 Cb -0.15 -2.38 -0.06 0.00 -1.56 0.00 0.00 34.95 30.81 1xpv s ARG 52 CO 0.11 0.53 -0.08 0.16 -0.81 0.00 0.00 175.30 175.21 1xpv s ASP 53 N -2.09 3.92 0.44 -2.12 -4.77 -0.88 -0.67 116.67 110.50 1xpv s ASP 53 Ca 0.21 -1.04 0.25 0.00 -3.30 0.00 0.00 52.55 48.68 1xpv s ASP 53 Cb -0.11 -0.44 0.73 0.00 -1.09 0.00 0.00 42.92 42.00 1xpv s ASP 53 CO 0.13 -0.13 1.74 1.55 0.70 0.00 0.00 175.17 179.16 1xpv h PRO 54 N 2.00 0.00 -0.38 2.11 0.13 -1.90 -3.19 132.00 130.77 1xpv h PRO 54 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1xpv h PRO 54 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1xpv h PRO 54 CO 0.66 0.15 0.11 0.52 -0.23 0.00 0.00 178.00 179.21 1xpv h MET 55 N 0.00 0.59 0.00 0.86 2.86 -1.95 -3.47 114.93 113.82 1xpv h MET 55 Ca -0.00 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1xpv h MET 55 Cb 0.87 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1xpv h MET 55 CO 0.02 0.61 0.00 0.41 1.06 0.00 0.00 176.91 179.01 1xpv n GLY 56 N -0.62 0.69 3.13 8.32 0.00 -1.20 -5.14 105.19 110.36 1xpv n GLY 56 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.73 0.02 1.61 0.52 -1.26 -5.02 118.95 115.55 1xpv s ARG 57 Ca 0.00 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 53.99 1xpv s ARG 57 Cb 0.00 0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.70 1xpv s ARG 57 CO 0.00 -0.18 -0.07 -1.21 0.02 0.00 0.00 175.30 173.87 1xpv s GLU 58 N -3.94 0.48 0.02 3.54 2.02 -1.26 -2.07 118.70 117.49 1xpv s GLU 58 Ca 0.11 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.69 1xpv s GLU 58 Cb 0.07 -0.35 -0.03 0.00 0.10 0.00 0.00 34.13 33.92 1xpv s GLU 58 CO -0.07 0.08 -0.20 -1.17 0.02 0.00 0.00 175.26 173.92 1xpv s LEU 59 N -0.87 2.48 0.98 1.80 2.96 -0.38 -5.01 118.68 120.63 1xpv s LEU 59 Ca -0.04 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.30 1xpv s LEU 59 Cb -0.06 -1.46 0.06 0.00 0.50 0.00 0.00 46.19 45.23 1xpv s LEU 59 CO 0.00 0.28 0.39 -0.90 -1.32 0.00 0.00 176.35 174.80 1xpv n ASP 60 N 1.80 -2.01 0.11 3.68 5.68 -1.26 -3.23 116.55 121.32 1xpv n ASP 60 Ca -0.16 0.26 -0.12 0.00 -0.50 0.00 0.00 54.79 54.26 1xpv n ASP 60 Cb 0.52 -1.18 -0.08 0.00 -1.14 0.00 0.00 41.12 39.24 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 1xpv h TRP 61 N -1.68 -0.30 -3.05 2.11 -0.00 -1.96 -3.42 115.95 107.64 1xpv h TRP 61 Ca -0.45 -0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.86 1xpv h TRP 61 Cb 1.29 0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 30.51 1xpv h TRP 61 CO 0.36 0.07 0.98 -1.25 -0.00 0.00 0.00 178.44 178.60 1xpv s PRO 62 N -3.98 3.96 0.12 2.65 0.04 -1.26 -4.95 135.00 131.58 1xpv s PRO 62 Ca -0.13 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.26 1xpv s PRO 62 Cb 0.01 -3.87 0.01 0.00 0.04 0.00 0.00 34.50 30.69 1xpv s PRO 62 CO 0.49 -1.06 0.20 1.97 0.04 0.00 0.00 177.00 178.65 1xpv n PHE 63 N 7.52 -1.07 -4.15 0.56 1.16 -1.26 -5.12 117.46 115.10 1xpv n PHE 63 Ca 0.15 -0.69 -0.07 0.00 -1.87 0.00 0.00 57.45 54.97 1xpv n PHE 63 Cb 0.46 0.23 -0.02 0.00 -1.61 0.00 0.00 39.48 38.55 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 -1.61 1.67 -0.05 5.98 8.00 -1.26 -4.97 116.55 124.30 1xpv n ASP 64 Ca -0.01 -1.52 -0.14 0.00 0.71 0.00 0.00 54.79 53.83 1xpv n ASP 64 Cb 0.19 0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 41.33 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 1.11 0.00 0.00 2.24 0.00 -1.97 -0.92 119.26 119.73 1xpv h ALA 65 Ca -0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1xpv h ALA 65 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xpv h ALA 65 CO 0.14 -0.05 -0.14 -1.00 0.00 0.00 0.00 179.25 178.20 1xpv h PRO 66 N -0.84 0.00 0.04 0.00 0.13 -1.96 -0.64 132.00 128.74 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 0.89 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1xpv h PRO 66 CO 0.01 0.14 -1.30 -0.09 -0.23 0.00 0.00 178.00 176.53 1xpv h ARG 67 N 0.00 0.09 0.20 0.86 2.43 -1.96 -1.18 114.38 114.83 1xpv h ARG 67 Ca -0.00 -0.16 -0.32 0.00 -0.81 0.00 0.00 59.98 58.69 1xpv h ARG 67 Cb 0.86 0.06 0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1xpv h ARG 67 CO 0.02 0.95 -1.39 1.25 -1.51 0.00 0.00 179.97 179.29 1xpv h LEU 68 N 0.03 0.79 -0.02 3.80 5.85 -1.05 -2.92 115.31 121.78 1xpv h LEU 68 Ca -0.14 -0.81 -0.02 0.00 0.84 0.00 0.00 57.88 57.75 1xpv h LEU 68 Cb 1.90 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1xpv h LEU 68 CO 0.14 1.63 -0.06 -0.09 -0.34 0.00 0.00 178.44 179.72 1xpv h ARG 69 N 0.17 0.08 -0.51 1.25 9.65 -1.22 -2.55 114.38 121.26 1xpv h ARG 69 Ca -0.22 -0.05 0.15 0.00 -1.10 0.00 0.00 59.98 58.75 1xpv h ARG 69 Cb 2.08 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.65 1xpv h ARG 69 CO 0.26 0.65 0.37 0.00 2.80 0.00 0.00 179.97 184.05 1xpv h ALA 70 N 0.43 2.48 -0.23 2.80 0.00 -1.33 0.63 119.26 124.03 1xpv h ALA 70 Ca -0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1xpv h ALA 70 Cb 0.65 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xpv h ALA 70 CO 0.01 -0.63 -0.54 2.35 0.00 0.00 0.00 179.25 180.44 1xpv h TRP 71 N 0.00 0.87 -0.02 0.00 7.01 -1.38 0.89 115.95 123.32 1xpv h TRP 71 Ca 0.24 -0.31 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 1xpv h TRP 71 Cb 0.97 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.86 1xpv h TRP 71 CO 0.00 1.08 0.00 -0.07 -2.79 0.00 0.00 178.44 176.66 1xpv h LEU 72 N 0.53 0.04 -0.69 0.65 3.38 0.55 -3.00 115.31 116.78 1xpv h LEU 72 Ca 0.01 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 1xpv h LEU 72 Cb 1.11 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1xpv h LEU 72 CO 0.11 0.33 -0.34 -0.78 0.09 0.00 0.00 178.44 177.85 1xpv h ASP 73 N -0.26 0.67 -1.63 -0.43 3.58 -0.77 -2.80 116.42 114.79 1xpv h ASP 73 Ca 0.01 -0.27 0.52 0.00 0.42 0.00 0.00 57.03 57.70 1xpv h ASP 73 Cb 0.31 -0.19 -0.11 0.00 1.72 0.00 0.00 39.33 41.06 1xpv h ASP 73 CO 0.00 0.95 1.11 0.00 -2.88 0.00 0.00 179.24 178.42 1xpv h ALA 74 N 1.09 3.27 -3.03 -0.78 0.00 0.98 -3.46 119.26 117.33 1xpv h ALA 74 Ca 0.06 0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.32 1xpv h ALA 74 Cb 0.84 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1xpv h ALA 74 CO 0.07 -1.91 -0.86 0.00 0.00 0.00 0.00 179.25 176.55 1xpv n ALA 75 N -2.69 -3.45 -1.52 0.00 0.00 -1.06 -4.88 120.51 106.91 1xpv n ALA 75 Ca 0.42 0.65 -0.30 0.00 0.00 0.00 0.00 53.44 54.21 1xpv n ALA 75 Cb 1.75 -1.33 0.20 0.00 0.00 0.00 0.00 19.45 20.07 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 -3.67 -0.13 0.00 0.00 0.04 -1.26 -5.02 135.00 124.95 1xpv s PRO 76 Ca 0.00 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1xpv s PRO 76 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1xpv s PRO 76 CO 0.00 -2.96 0.00 1.58 0.04 0.00 0.00 177.00 175.66 1xpv n HIS 77 N -4.20 -1.57 -0.43 0.56 -0.00 -1.26 -5.23 115.22 103.09 1xpv n HIS 77 Ca 0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.31 1xpv n HIS 77 Cb 0.59 0.47 0.00 0.00 -0.12 0.00 0.00 29.99 30.93 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80