#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 -1.56 3.04 0.00 -1.26 -4.60 120.51 116.12 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 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 1.87 -0.27 0.00 1.43 -1.26 -3.76 118.68 116.68 1xpv s LEU 3 Ca 0.00 0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1xpv s LEU 3 Cb 0.00 -2.48 0.16 0.00 0.03 0.00 0.00 46.19 43.90 1xpv s LEU 3 CO 0.00 -3.21 0.50 -0.89 0.23 0.00 0.00 176.35 172.98 1xpv s THR 4 N -3.48 -0.82 -0.39 5.49 2.01 -0.56 -3.23 115.64 114.67 1xpv s THR 4 Ca 0.71 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 1xpv s THR 4 Cb -0.08 -0.91 0.09 0.00 0.01 0.00 0.00 72.50 71.62 1xpv s THR 4 CO 0.54 -0.05 0.17 -0.22 -0.69 0.00 0.00 174.62 174.37 1xpv s LEU 5 N 2.72 4.96 0.27 4.42 2.96 -1.18 -0.67 118.68 132.15 1xpv s LEU 5 Ca 0.16 -1.80 -0.29 0.00 -0.22 0.00 0.00 54.13 51.97 1xpv s LEU 5 Cb -0.15 -1.83 -0.10 0.00 0.50 0.00 0.00 46.19 44.62 1xpv s LEU 5 CO -0.18 -0.48 1.30 -0.31 -1.32 0.00 0.00 176.35 175.35 1xpv s TYR 6 N 1.20 3.19 0.17 5.38 2.02 -1.11 -3.74 117.35 124.46 1xpv s TYR 6 Ca 0.05 1.33 -0.00 0.00 -0.37 0.00 0.00 57.07 58.08 1xpv s TYR 6 Cb -0.22 -3.62 -0.04 0.00 -0.40 0.00 0.00 41.96 37.68 1xpv s TYR 6 CO -0.03 -1.79 0.06 1.14 -1.57 0.00 0.00 175.55 173.36 1xpv s GLN 7 N -0.95 1.07 0.29 -0.62 -2.07 -0.61 -3.58 119.66 113.18 1xpv s GLN 7 Ca 0.52 -1.53 0.03 0.00 -1.82 0.00 0.00 55.36 52.56 1xpv s GLN 7 Cb -0.38 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.57 1xpv s GLN 7 CO 0.45 -0.26 0.16 -0.98 -1.32 0.00 0.00 175.29 173.34 1xpv s ARG 8 N -4.04 1.53 0.92 9.60 1.70 -1.26 -2.15 118.95 125.25 1xpv s ARG 8 Ca 0.28 -1.86 -0.16 0.00 -0.47 0.00 0.00 55.73 53.52 1xpv s ARG 8 Cb 0.07 -0.04 -0.10 0.00 -0.57 0.00 0.00 34.95 34.31 1xpv s ARG 8 CO 0.05 -0.44 -0.39 -0.25 -1.08 0.00 0.00 175.30 173.20 1xpv n ASP 9 N -0.82 -4.64 -1.46 -2.89 9.92 -1.26 -4.63 116.55 110.76 1xpv n ASP 9 Ca 0.01 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1xpv n ASP 9 Cb 0.65 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1xpv n ASP 10 N 2.10 -7.95 -4.20 -2.24 2.03 -1.26 -4.93 116.55 100.11 1xpv n ASP 10 Ca 0.02 1.35 -0.33 0.00 0.52 0.00 0.00 54.79 56.34 1xpv n ASP 10 Cb 0.54 -4.45 -0.15 0.00 -0.72 0.00 0.00 41.12 36.34 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 4.48 -2.08 -0.10 0.00 -0.00 -1.26 -4.85 115.22 111.41 1xpv n HIS 12 Ca -0.20 0.26 -0.12 0.00 -0.00 0.00 0.00 57.72 57.67 1xpv n HIS 12 Cb 0.51 0.91 -0.03 0.00 -0.00 0.00 0.00 29.99 31.38 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 0.61 -0.56 0.27 5.85 -1.97 -2.46 115.31 117.06 1xpv h LEU 13 Ca 0.00 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.23 1xpv h LEU 13 Cb 0.00 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1xpv h LEU 13 CO 0.00 0.85 -0.53 0.00 -0.34 0.00 0.00 178.44 178.42 1xpv h ASP 15 N 0.00 -0.62 -0.58 0.00 1.82 -1.81 0.64 116.42 115.87 1xpv h ASP 15 Ca -0.01 0.08 0.06 0.00 -0.39 0.00 0.00 57.03 56.77 1xpv h ASP 15 Cb 1.17 0.24 -0.03 0.00 0.68 0.00 0.00 39.33 41.38 1xpv h ASP 15 CO 0.07 -0.30 0.38 1.56 -1.61 0.00 0.00 179.24 179.34 1xpv h GLN 16 N -0.40 0.51 0.03 0.28 4.20 -1.45 -0.98 115.11 117.30 1xpv h GLN 16 Ca 0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xpv h GLN 16 Cb 0.43 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1xpv h GLN 16 CO -0.14 0.34 -0.01 0.00 -0.67 0.00 0.00 178.83 178.35 1xpv h ALA 17 N 1.69 -0.04 -0.70 3.87 0.00 -1.15 -1.68 119.26 121.26 1xpv h ALA 17 Ca 0.25 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1xpv h ALA 17 Cb 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xpv h ALA 17 CO -0.07 -0.45 0.46 0.28 0.00 0.00 0.00 179.25 179.47 1xpv h VAL 18 N -0.17 1.02 -0.15 0.00 2.07 0.04 -0.51 116.25 118.55 1xpv h VAL 18 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xpv h VAL 18 Cb 0.16 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1xpv h VAL 18 CO 0.01 0.13 0.09 -0.08 0.02 0.00 0.00 177.57 177.74 1xpv h GLU 19 N 0.72 0.19 -0.70 1.57 4.22 -0.64 0.32 114.58 120.27 1xpv h GLU 19 Ca 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.70 1xpv h GLU 19 Cb 0.26 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1xpv h GLU 19 CO -0.10 0.13 0.32 0.00 -2.18 0.00 0.00 179.01 177.18 1xpv h ALA 20 N 1.06 1.25 0.52 2.92 0.00 -0.38 0.26 119.26 124.89 1xpv h ALA 20 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xpv h ALA 20 Cb -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.50 1xpv h ALA 20 CO -0.02 0.57 -0.25 -0.07 0.00 0.00 0.00 179.25 179.48 1xpv h LEU 21 N 1.00 -0.59 -0.45 0.00 3.38 -0.45 0.46 115.31 118.66 1xpv h LEU 21 Ca 0.24 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1xpv h LEU 21 Cb 0.13 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1xpv h LEU 21 CO -0.03 -0.32 0.14 0.00 0.09 0.00 0.00 178.44 178.32 1xpv h ALA 22 N -0.45 0.53 -0.40 1.53 0.00 -0.15 0.99 119.26 121.32 1xpv h ALA 22 Ca -0.07 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 22 Cb 0.60 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1xpv h ALA 22 CO 0.12 -0.25 0.22 1.96 0.00 0.00 0.00 179.25 181.29 1xpv h GLN 23 N 0.30 0.43 0.00 0.00 4.20 -0.35 0.18 115.11 119.86 1xpv h GLN 23 Ca 0.22 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1xpv h GLN 23 Cb 0.23 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1xpv h GLN 23 CO -0.24 0.28 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 1xpv n ALA 24 N -2.26 1.46 -3.41 3.87 0.00 0.16 -4.84 120.51 115.49 1xpv n ALA 24 Ca 0.01 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 1xpv n ALA 24 Cb 0.08 -1.25 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 -1.82 -6.79 0.10 0.00 5.12 0.61 -4.81 116.66 109.08 1xpv n ARG 25 Ca 0.02 0.75 -0.13 0.00 -1.93 0.00 0.00 57.85 56.56 1xpv n ARG 25 Cb 0.14 -5.53 -0.08 0.00 -1.16 0.00 0.00 32.46 25.83 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 0.91 -0.91 0.00 7.54 0.00 -1.56 -3.49 119.26 121.74 1xpv h ALA 26 Ca -0.51 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xpv h ALA 26 Cb 1.33 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1xpv h ALA 26 CO 0.50 -1.01 0.00 0.41 0.00 0.00 0.00 179.25 179.16 1xpv n GLY 27 N -1.38 0.32 3.92 0.00 0.00 -1.26 -5.08 105.19 101.71 1xpv n GLY 27 Ca -0.07 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.37 3.74 0.26 4.61 0.00 -1.26 -5.00 121.76 122.75 1xpv s ALA 28 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 1xpv s ALA 28 Cb 0.00 -2.12 0.06 0.00 0.00 0.00 0.00 23.12 21.06 1xpv s ALA 28 CO 0.00 0.34 0.82 1.97 0.00 0.00 0.00 175.76 178.89 1xpv n PHE 29 N -0.82 -1.77 -4.82 0.00 1.16 -1.26 -4.59 117.46 105.37 1xpv n PHE 29 Ca -0.03 -1.42 -0.33 0.00 -1.87 0.00 0.00 57.45 53.80 1xpv n PHE 29 Cb 0.54 0.70 -0.13 0.00 -1.61 0.00 0.00 39.48 38.98 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 -2.66 2.77 -0.11 2.97 0.40 -1.20 -5.00 117.98 115.15 1xpv s PHE 30 Ca 0.17 -0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 56.17 1xpv s PHE 30 Cb -0.04 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1xpv s PHE 30 CO 0.08 0.09 0.11 -1.12 0.70 0.00 0.00 175.22 175.08 1xpv s SER 31 N -0.41 6.16 -0.07 1.36 0.01 -1.26 -3.13 113.70 116.37 1xpv s SER 31 Ca 0.05 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.74 1xpv s SER 31 Cb -0.12 -1.95 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1xpv s SER 31 CO 0.02 0.40 -0.14 -0.69 0.41 0.00 0.00 173.24 173.24 1xpv s VAL 32 N -1.01 1.29 -0.21 3.43 1.01 -1.25 -5.01 120.40 118.65 1xpv s VAL 32 Ca 0.15 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1xpv s VAL 32 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1xpv s VAL 32 CO 0.04 0.39 0.36 -0.36 0.00 0.00 0.00 175.10 175.53 1xpv s PHE 33 N 0.51 3.35 -0.50 5.22 0.08 -1.26 -1.58 117.98 123.81 1xpv s PHE 33 Ca -0.13 0.54 0.24 0.00 0.12 0.00 0.00 56.93 57.70 1xpv s PHE 33 Cb -0.15 -2.50 0.40 0.00 -0.57 0.00 0.00 43.02 40.20 1xpv s PHE 33 CO 0.04 -0.02 1.52 -0.84 -0.10 0.00 0.00 175.22 175.82 1xpv h ILE 34 N 5.07 0.00 -0.32 0.64 3.07 -1.79 -3.41 117.51 120.77 1xpv h ILE 34 Ca -0.36 -0.82 -0.52 0.00 1.55 0.00 0.00 64.86 64.71 1xpv h ILE 34 Cb 1.16 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 39.38 1xpv h ILE 34 CO 0.70 0.00 1.83 -0.67 -1.05 0.00 0.00 178.15 178.97 1xpv n ASP 35 N -2.72 3.21 0.00 2.16 2.03 -1.26 -1.85 116.55 118.12 1xpv n ASP 35 Ca 0.04 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.61 1xpv n ASP 35 Cb 0.50 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1xpv n ASP 36 N 10.46 0.00 -4.15 1.67 5.75 -1.26 -5.05 116.55 123.97 1xpv n ASP 36 Ca 0.48 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.91 1xpv n ASP 36 Cb 0.44 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.40 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1xpv s ASP 37 N 0.00 5.01 0.42 -1.12 1.11 -0.77 -4.95 116.67 116.36 1xpv s ASP 37 Ca 0.00 -1.55 0.09 0.00 0.18 0.00 0.00 52.55 51.28 1xpv s ASP 37 Cb 0.00 -1.75 0.92 0.00 1.07 0.00 0.00 42.92 43.16 1xpv s ASP 37 CO 0.00 -0.35 2.04 0.00 1.18 0.00 0.00 175.17 178.03 1xpv h ALA 38 N 8.00 1.81 -0.53 5.23 0.00 -1.99 -0.34 119.26 131.43 1xpv h ALA 38 Ca -0.18 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1xpv h ALA 38 Cb 1.06 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1xpv h ALA 38 CO 0.58 0.14 0.22 0.00 0.00 0.00 0.00 179.25 180.19 1xpv h ALA 39 N 1.73 0.67 -0.28 0.00 0.00 -1.93 0.82 119.26 120.28 1xpv h ALA 39 Ca 0.19 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1xpv h ALA 39 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xpv h ALA 39 CO -0.05 -0.16 -0.46 -0.07 0.00 0.00 0.00 179.25 178.52 1xpv h LEU 40 N 0.42 0.80 -0.46 0.00 3.38 -1.52 -0.17 115.31 117.76 1xpv h LEU 40 Ca 0.25 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1xpv h LEU 40 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xpv h LEU 40 CO -0.23 1.13 0.24 -0.33 0.09 0.00 0.00 178.44 179.34 1xpv h GLU 41 N 0.59 0.65 -0.27 1.13 4.39 0.21 0.73 114.58 122.01 1xpv h GLU 41 Ca 0.04 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 1xpv h GLU 41 Cb 1.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1xpv h GLU 41 CO 0.10 0.53 -0.39 1.03 -1.16 0.00 0.00 179.01 179.12 1xpv h SER 42 N 0.60 0.66 -0.04 1.42 0.87 0.69 1.48 113.55 119.24 1xpv h SER 42 Ca 0.16 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1xpv h SER 42 Cb 0.08 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1xpv h SER 42 CO -0.02 0.98 -0.01 0.00 -0.53 0.00 0.00 176.83 177.24 1xpv h ALA 43 N 1.05 0.05 -0.58 6.23 0.00 -0.59 -3.41 119.26 122.02 1xpv h ALA 43 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xpv h ALA 43 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xpv h ALA 43 CO 0.08 -0.23 0.00 0.66 0.00 0.00 0.00 179.25 179.76 1xpv n TYR 44 N -4.84 0.00 0.00 0.00 4.01 0.25 -4.89 117.16 111.68 1xpv n TYR 44 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1xpv n TYR 44 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.75 0.41 0.07 2.72 0.00 0.51 -1.19 105.19 109.46 1xpv n GLY 45 Ca 0.00 0.75 -0.09 0.00 0.00 0.00 0.00 46.02 46.69 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 0.05 -3.40 0.99 -0.00 -1.92 -3.28 115.31 107.74 1xpv h LEU 46 Ca 0.00 -0.06 -0.33 0.00 -0.00 0.00 0.00 57.88 57.48 1xpv h LEU 46 Cb 0.00 -0.01 -0.16 0.00 -0.00 0.00 0.00 40.66 40.49 1xpv h LEU 46 CO 0.00 1.05 0.43 0.54 -0.00 0.00 0.00 178.44 180.46 1xpv n ARG 47 N -3.26 1.83 -0.12 1.13 3.00 -0.33 -4.53 116.66 114.37 1xpv n ARG 47 Ca -0.07 -1.69 -0.05 0.00 -0.01 0.00 0.00 57.85 56.03 1xpv n ARG 47 Cb 0.99 -1.66 0.02 0.00 0.00 0.00 0.00 32.46 31.81 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 0.87 0.62 -0.23 1.55 2.07 -1.77 -3.14 116.25 116.21 1xpv h VAL 48 Ca 0.32 -0.01 -0.62 0.00 0.82 0.00 0.00 66.70 67.22 1xpv h VAL 48 Cb 1.19 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1xpv h VAL 48 CO 0.77 0.00 2.33 -0.81 0.02 0.00 0.00 177.57 179.89 1xpv n PRO 49 N -5.28 2.24 -4.67 1.57 -0.04 -1.24 -3.98 135.00 123.60 1xpv n PRO 49 Ca 0.02 -2.44 -0.33 0.00 -0.04 0.00 0.00 63.50 60.71 1xpv n PRO 49 Cb 0.22 -3.28 -0.16 0.00 -0.04 0.00 0.00 33.50 30.25 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 5.36 2.43 -0.26 0.52 1.01 -1.19 -3.88 120.40 124.39 1xpv s VAL 50 Ca 0.56 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1xpv s VAL 50 Cb 0.10 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1xpv s VAL 50 CO 0.05 0.53 0.48 -0.22 0.00 0.00 0.00 175.10 175.94 1xpv s LEU 51 N 0.73 4.05 0.12 3.92 0.20 -1.22 -2.76 118.68 123.72 1xpv s LEU 51 Ca -0.08 0.47 0.08 0.00 0.69 0.00 0.00 54.13 55.29 1xpv s LEU 51 Cb -0.16 -2.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.96 1xpv s LEU 51 CO 0.01 -0.26 -0.15 -0.60 -0.29 0.00 0.00 176.35 175.06 1xpv s ARG 52 N 2.22 1.89 0.33 1.98 3.52 0.15 -0.10 118.95 128.94 1xpv s ARG 52 Ca 0.20 -1.15 0.09 0.00 -0.13 0.00 0.00 55.73 54.74 1xpv s ARG 52 Cb -0.16 -2.17 -0.05 0.00 -1.56 0.00 0.00 34.95 31.01 1xpv s ARG 52 CO 0.09 0.48 -0.02 0.16 -0.81 0.00 0.00 175.30 175.21 1xpv s ASP 53 N -2.23 4.10 0.46 -2.12 -4.77 -0.19 -1.49 116.67 110.43 1xpv s ASP 53 Ca 0.19 -0.99 0.26 0.00 -3.30 0.00 0.00 52.55 48.71 1xpv s ASP 53 Cb -0.11 -0.51 0.76 0.00 -1.09 0.00 0.00 42.92 41.97 1xpv s ASP 53 CO 0.12 -0.19 1.76 1.55 0.70 0.00 0.00 175.17 179.10 1xpv h PRO 54 N 1.88 0.00 -0.66 2.11 0.13 -1.81 -3.15 132.00 130.50 1xpv h PRO 54 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1xpv h PRO 54 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1xpv h PRO 54 CO 0.66 0.11 0.14 0.52 -0.23 0.00 0.00 178.00 179.20 1xpv h MET 55 N 0.00 1.07 0.00 0.86 2.86 -1.93 -3.47 114.93 114.32 1xpv h MET 55 Ca -0.00 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1xpv h MET 55 Cb 0.84 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1xpv h MET 55 CO 0.01 0.97 0.00 0.41 1.06 0.00 0.00 176.91 179.36 1xpv n GLY 56 N -0.62 0.83 3.24 8.32 0.00 -1.19 -5.16 105.19 110.61 1xpv n GLY 56 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 1.08 0.13 1.61 0.52 -1.26 -5.01 118.95 116.02 1xpv s ARG 57 Ca 0.00 -1.38 0.01 0.00 -0.52 0.00 0.00 55.73 53.84 1xpv s ARG 57 Cb 0.00 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.73 1xpv s ARG 57 CO 0.00 -0.35 -0.02 -1.21 0.02 0.00 0.00 175.30 173.74 1xpv s GLU 58 N -4.04 0.92 0.03 3.54 2.02 -1.26 -1.02 118.70 118.89 1xpv s GLU 58 Ca 0.24 -1.41 0.07 0.00 0.02 0.00 0.00 54.97 53.89 1xpv s GLU 58 Cb 0.06 -0.12 -0.02 0.00 0.10 0.00 0.00 34.13 34.14 1xpv s GLU 58 CO 0.03 -0.10 -0.21 -1.17 0.02 0.00 0.00 175.26 173.83 1xpv s LEU 59 N -3.08 2.14 0.62 1.80 2.96 0.85 -4.99 118.68 118.98 1xpv s LEU 59 Ca 0.18 -0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 53.40 1xpv s LEU 59 Cb 0.06 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 1xpv s LEU 59 CO -0.01 0.19 1.22 -0.67 -1.32 0.00 0.00 176.35 175.75 1xpv n ASP 60 N 2.00 1.82 0.16 3.68 2.03 -1.26 -3.38 116.55 121.60 1xpv n ASP 60 Ca -0.17 0.85 -0.14 0.00 0.52 0.00 0.00 54.79 55.85 1xpv n ASP 60 Cb 0.53 -1.51 -0.07 0.00 -0.72 0.00 0.00 41.12 39.35 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 0.66 -0.53 -3.21 -0.67 -0.00 -1.96 -3.39 115.95 106.85 1xpv h TRP 61 Ca -0.50 0.00 -0.57 0.00 -0.00 0.00 0.00 58.89 57.82 1xpv h TRP 61 Cb 1.34 0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 30.65 1xpv h TRP 61 CO 0.41 -0.30 1.04 -1.25 -0.00 0.00 0.00 178.44 178.34 1xpv s PRO 62 N -6.10 3.68 0.12 2.65 0.04 -1.26 -4.94 135.00 129.18 1xpv s PRO 62 Ca -0.15 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 1xpv s PRO 62 Cb 0.06 -3.98 0.01 0.00 0.04 0.00 0.00 34.50 30.63 1xpv s PRO 62 CO 0.65 -1.42 0.18 1.97 0.04 0.00 0.00 177.00 178.41 1xpv n PHE 63 N 8.46 -0.89 -4.16 0.56 1.16 -1.26 -5.12 117.46 116.20 1xpv n PHE 63 Ca 0.16 -0.73 -0.08 0.00 -1.87 0.00 0.00 57.45 54.94 1xpv n PHE 63 Cb 0.47 0.20 -0.02 0.00 -1.61 0.00 0.00 39.48 38.53 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 -1.81 1.46 -0.05 5.98 8.00 -1.26 -4.98 116.55 123.89 1xpv n ASP 64 Ca -0.00 -1.60 -0.14 0.00 0.71 0.00 0.00 54.79 53.76 1xpv n ASP 64 Cb 0.19 0.22 -0.12 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.15 0.00 0.00 2.24 0.00 -1.96 -1.19 119.26 119.50 1xpv h ALA 65 Ca -0.10 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1xpv h ALA 65 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xpv h ALA 65 CO 0.16 -0.06 -0.33 -1.00 0.00 0.00 0.00 179.25 178.02 1xpv h PRO 66 N -0.84 0.00 0.04 0.00 0.13 -1.94 -0.98 132.00 128.41 1xpv h PRO 66 Ca -0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1xpv h PRO 66 Cb 0.87 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1xpv h PRO 66 CO 0.00 0.33 -1.07 -0.09 -0.23 0.00 0.00 178.00 176.94 1xpv h ARG 67 N 0.00 0.09 0.18 0.86 2.43 -1.96 -1.46 114.38 114.52 1xpv h ARG 67 Ca -0.00 -0.15 -0.31 0.00 -0.81 0.00 0.00 59.98 58.71 1xpv h ARG 67 Cb 1.00 0.05 0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1xpv h ARG 67 CO 0.04 1.07 -1.35 1.25 -1.51 0.00 0.00 179.97 179.47 1xpv h LEU 68 N 0.02 0.72 0.02 3.80 5.85 -1.10 -2.93 115.31 121.69 1xpv h LEU 68 Ca -0.05 -0.74 -0.00 0.00 0.84 0.00 0.00 57.88 57.93 1xpv h LEU 68 Cb 1.82 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1xpv h LEU 68 CO 0.15 1.57 -0.01 -0.09 -0.34 0.00 0.00 178.44 179.72 1xpv h ARG 69 N 0.15 -0.03 -0.59 1.25 9.65 -1.24 -0.51 114.38 123.06 1xpv h ARG 69 Ca -0.20 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 58.82 1xpv h ARG 69 Cb 2.04 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.60 1xpv h ARG 69 CO 0.24 0.39 0.41 0.00 2.80 0.00 0.00 179.97 183.82 1xpv h ALA 70 N 0.51 2.30 -0.03 2.80 0.00 -1.38 0.62 119.26 124.08 1xpv h ALA 70 Ca -0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1xpv h ALA 70 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xpv h ALA 70 CO 0.00 -0.46 -0.87 2.35 0.00 0.00 0.00 179.25 180.28 1xpv h TRP 71 N 0.19 0.63 0.10 0.00 7.01 -1.30 -2.85 115.95 119.73 1xpv h TRP 71 Ca 0.28 -0.32 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 1xpv h TRP 71 Cb 0.86 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.84 1xpv h TRP 71 CO -0.00 1.12 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.65 1xpv h LEU 72 N 0.27 -0.12 -1.94 0.65 3.38 0.17 -2.49 115.31 115.23 1xpv h LEU 72 Ca -0.06 -0.25 0.23 0.00 0.09 0.00 0.00 57.88 57.88 1xpv h LEU 72 Cb 1.49 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.23 1xpv h LEU 72 CO 0.15 0.19 0.57 -0.78 0.09 0.00 0.00 178.44 178.67 1xpv h ASP 73 N -0.44 0.05 -0.46 -0.43 1.82 -0.23 0.71 116.42 117.44 1xpv h ASP 73 Ca -0.01 0.00 0.13 0.00 -0.39 0.00 0.00 57.03 56.76 1xpv h ASP 73 Cb 0.36 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1xpv h ASP 73 CO 0.02 0.02 0.48 0.00 -1.61 0.00 0.00 179.24 178.15 1xpv h ALA 74 N 1.60 2.19 -2.07 -0.78 0.00 -1.19 -3.41 119.26 115.61 1xpv h ALA 74 Ca 0.39 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.80 1xpv h ALA 74 Cb 1.47 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.16 1xpv h ALA 74 CO -0.02 -0.72 -0.66 0.00 0.00 0.00 0.00 179.25 177.85 1xpv s ALA 75 N -4.63 2.32 1.08 0.00 0.00 0.25 -5.12 121.76 115.65 1xpv s ALA 75 Ca -0.04 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 49.81 1xpv s ALA 75 Cb 0.16 0.29 0.24 0.00 0.00 0.00 0.00 23.12 23.81 1xpv s ALA 75 CO 0.56 -0.13 1.22 -1.25 0.00 0.00 0.00 175.76 176.16 1xpv s PRO 76 N -3.77 -0.31 0.32 0.00 0.04 -1.26 -4.90 135.00 125.13 1xpv s PRO 76 Ca 0.31 -0.26 0.05 0.00 0.04 0.00 0.00 61.00 61.14 1xpv s PRO 76 Cb 0.05 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.84 1xpv s PRO 76 CO 0.12 -3.07 0.22 -3.38 0.04 0.00 0.00 177.00 170.93 1xpv s HIS 77 N -3.47 1.66 0.00 0.56 -3.43 -1.26 -4.99 115.29 104.36 1xpv s HIS 77 Ca 0.73 -1.54 0.00 0.00 -0.80 0.00 0.00 55.06 53.45 1xpv s HIS 77 Cb -0.06 -0.77 0.00 0.00 -1.43 0.00 0.00 32.58 30.32 1xpv s HIS 77 CO 0.54 -0.72 0.00 0.00 -2.00 0.00 0.00 174.74 172.56