#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 -1.66 3.04 0.00 -1.26 -4.98 120.51 115.65 1xpv n ALA 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1xpv n ALA 2 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1xpv n ALA 2 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1xpv n LEU 3 N 0.00 0.00 -3.74 0.00 -0.00 -1.26 -4.14 117.00 107.86 1xpv n LEU 3 Ca 0.00 -0.84 -0.12 0.00 -0.00 0.00 0.00 56.01 55.05 1xpv n LEU 3 Cb 0.00 -0.51 -0.11 0.00 -0.00 0.00 0.00 43.42 42.80 1xpv n LEU 3 CO 0.00 -0.96 0.01 -0.89 -0.00 0.00 0.00 177.39 175.55 1xpv s THR 4 N -2.37 -0.01 -0.30 1.47 2.01 0.93 -1.59 115.64 115.79 1xpv s THR 4 Ca 0.39 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.45 1xpv s THR 4 Cb -0.01 -0.50 0.08 0.00 0.01 0.00 0.00 72.50 72.08 1xpv s THR 4 CO 0.27 0.01 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.99 1xpv s LEU 5 N 0.50 3.78 0.31 4.42 2.96 -0.56 -0.50 118.68 129.59 1xpv s LEU 5 Ca -0.03 -1.74 -0.29 0.00 -0.22 0.00 0.00 54.13 51.86 1xpv s LEU 5 Cb -0.04 -1.45 -0.10 0.00 0.50 0.00 0.00 46.19 45.09 1xpv s LEU 5 CO -0.03 -0.31 1.42 -0.31 -1.32 0.00 0.00 176.35 175.81 1xpv s TYR 6 N 1.11 2.91 0.22 5.38 2.02 -0.88 -3.63 117.35 124.48 1xpv s TYR 6 Ca 0.03 1.16 -0.05 0.00 -0.37 0.00 0.00 57.07 57.84 1xpv s TYR 6 Cb -0.19 -3.84 -0.03 0.00 -0.40 0.00 0.00 41.96 37.50 1xpv s TYR 6 CO -0.09 -2.56 0.25 1.14 -1.57 0.00 0.00 175.55 172.73 1xpv s GLN 7 N -1.23 1.32 0.31 -0.62 -2.07 -0.31 -3.50 119.66 113.57 1xpv s GLN 7 Ca 0.55 -1.49 -0.14 0.00 -1.82 0.00 0.00 55.36 52.45 1xpv s GLN 7 Cb -0.43 0.34 0.02 0.00 -1.09 0.00 0.00 33.01 31.85 1xpv s GLN 7 CO 0.51 -0.48 0.62 0.50 -1.32 0.00 0.00 175.29 175.12 1xpv s ARG 8 N -4.11 1.85 0.34 9.60 3.00 -1.26 -2.19 118.95 126.18 1xpv s ARG 8 Ca 0.33 -1.31 0.13 0.00 -1.00 0.00 0.00 55.73 53.87 1xpv s ARG 8 Cb 0.04 0.54 1.08 0.00 0.00 0.00 0.00 34.95 36.62 1xpv s ARG 8 CO 0.11 -0.82 1.59 0.22 0.00 0.00 0.00 175.30 176.40 1xpv h ASP 9 N 2.10 0.07 -1.45 -2.12 1.82 -2.01 -3.38 116.42 111.45 1xpv h ASP 9 Ca -0.26 0.25 -0.70 0.00 -0.39 0.00 0.00 57.03 55.93 1xpv h ASP 9 Cb 1.25 0.32 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1xpv h ASP 9 CO 0.34 -0.35 1.09 -0.67 -1.61 0.00 0.00 179.24 178.03 1xpv n ASP 10 N -5.30 2.45 -3.67 2.28 -0.08 -1.26 -4.93 116.55 106.03 1xpv n ASP 10 Ca 0.31 0.87 -0.13 0.00 -1.51 0.00 0.00 54.79 54.33 1xpv n ASP 10 Cb 1.04 -1.20 0.06 0.00 2.34 0.00 0.00 41.12 43.36 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 -2.05 0.00 -0.20 0.00 8.25 -1.26 -4.20 115.22 115.76 1xpv n HIS 12 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1xpv n HIS 12 Cb 0.36 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.58 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 0.22 0.00 2.41 5.85 -1.99 1.28 115.31 123.08 1xpv h LEU 13 Ca 0.00 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1xpv h LEU 13 Cb 0.00 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.10 1xpv h LEU 13 CO 0.00 0.13 -0.53 0.00 -0.34 0.00 0.00 178.44 177.70 1xpv h ASP 15 N -0.19 -0.71 -0.02 0.00 5.19 -1.64 0.43 116.42 119.47 1xpv h ASP 15 Ca -0.07 0.14 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1xpv h ASP 15 Cb 1.26 0.35 -0.00 0.00 0.18 0.00 0.00 39.33 41.11 1xpv h ASP 15 CO 0.10 -0.25 0.02 1.56 -3.12 0.00 0.00 179.24 177.55 1xpv h GLN 16 N -0.20 0.00 0.02 3.56 4.20 0.15 0.16 115.11 123.00 1xpv h GLN 16 Ca 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xpv h GLN 16 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1xpv h GLN 16 CO -0.40 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 177.75 1xpv h ALA 17 N 1.99 -0.03 -0.86 3.87 0.00 -0.00 -2.01 119.26 122.21 1xpv h ALA 17 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xpv h ALA 17 Cb 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1xpv h ALA 17 CO -0.00 -0.28 0.49 0.28 0.00 0.00 0.00 179.25 179.74 1xpv h VAL 18 N -0.51 1.25 -0.09 0.00 2.07 0.31 -1.74 116.25 117.53 1xpv h VAL 18 Ca -0.00 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1xpv h VAL 18 Cb 0.49 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1xpv h VAL 18 CO 0.00 0.27 -0.09 -0.08 0.02 0.00 0.00 177.57 177.69 1xpv h GLU 19 N 1.19 -0.11 -0.88 1.57 4.22 -0.66 0.12 114.58 120.03 1xpv h GLU 19 Ca 0.30 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.81 1xpv h GLU 19 Cb 0.00 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1xpv h GLU 19 CO -0.05 -0.07 0.58 0.00 -2.18 0.00 0.00 179.01 177.28 1xpv h ALA 20 N 0.95 1.51 0.65 2.92 0.00 -0.94 0.25 119.26 124.61 1xpv h ALA 20 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xpv h ALA 20 Cb 0.21 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xpv h ALA 20 CO -0.16 0.36 -0.31 -0.07 0.00 0.00 0.00 179.25 179.07 1xpv h LEU 21 N 1.02 -0.74 -0.51 0.00 3.38 -0.35 0.33 115.31 118.44 1xpv h LEU 21 Ca 0.37 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.43 1xpv h LEU 21 Cb 0.16 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1xpv h LEU 21 CO -0.13 -0.51 0.17 0.00 0.09 0.00 0.00 178.44 178.06 1xpv h ALA 22 N -0.57 0.62 -0.77 1.53 0.00 -0.26 0.13 119.26 119.94 1xpv h ALA 22 Ca -0.09 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1xpv h ALA 22 Cb 0.68 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1xpv h ALA 22 CO 0.15 -0.23 0.46 1.96 0.00 0.00 0.00 179.25 181.59 1xpv h GLN 23 N 0.34 0.83 0.00 0.00 4.20 -0.27 0.44 115.11 120.65 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 0.28 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xpv h GLN 23 CO -0.27 0.55 0.00 0.00 -0.67 0.00 0.00 178.83 178.45 1xpv n ALA 24 N -2.35 2.43 -3.99 3.87 0.00 0.12 -4.86 120.51 115.73 1xpv n ALA 24 Ca 0.10 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1xpv n ALA 24 Cb 0.16 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.09 -4.55 -0.01 0.00 1.74 0.15 -4.78 116.66 108.13 1xpv n ARG 25 Ca 0.18 0.51 -0.03 0.00 -0.77 0.00 0.00 57.85 57.74 1xpv n ARG 25 Cb 0.13 -5.34 -0.02 0.00 -1.02 0.00 0.00 32.46 26.20 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 -0.51 0.00 7.54 0.00 -1.56 -3.49 119.26 122.20 1xpv h ALA 26 Ca -0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1xpv h ALA 26 Cb 1.37 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1xpv h ALA 26 CO 0.70 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1xpv n GLY 27 N -1.09 0.40 3.90 0.00 0.00 -1.26 -5.08 105.19 102.07 1xpv n GLY 27 Ca -0.01 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.25 3.63 0.04 4.61 0.00 -1.26 -5.02 121.76 122.51 1xpv s ALA 28 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1xpv s ALA 28 Cb 0.00 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.84 1xpv s ALA 28 CO 0.00 0.29 0.16 1.97 0.00 0.00 0.00 175.76 178.18 1xpv n PHE 29 N -0.82 -0.83 -4.32 0.00 1.16 -1.26 -4.69 117.46 106.70 1xpv n PHE 29 Ca -0.02 -0.23 -0.27 0.00 -1.87 0.00 0.00 57.45 55.06 1xpv n PHE 29 Cb 0.54 0.11 -0.10 0.00 -1.61 0.00 0.00 39.48 38.42 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 -5.98 2.54 -0.02 2.97 0.40 -0.62 -4.97 117.98 112.31 1xpv s PHE 30 Ca 0.03 -0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 1xpv s PHE 30 Cb -0.01 -1.26 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 1xpv s PHE 30 CO 0.01 0.49 -0.21 -1.12 0.70 0.00 0.00 175.22 175.09 1xpv s SER 31 N -2.66 2.42 -0.02 1.36 0.01 -1.26 -1.49 113.70 112.07 1xpv s SER 31 Ca 0.23 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.14 1xpv s SER 31 Cb -0.09 -0.27 -0.00 0.00 0.21 0.00 0.00 66.02 65.87 1xpv s SER 31 CO 0.13 0.25 -0.09 -0.69 0.41 0.00 0.00 173.24 173.26 1xpv s VAL 32 N -0.48 0.71 -0.31 3.43 1.01 -1.24 -4.96 120.40 118.56 1xpv s VAL 32 Ca 0.08 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1xpv s VAL 32 Cb -0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1xpv s VAL 32 CO -0.01 0.22 0.19 -0.36 0.00 0.00 0.00 175.10 175.13 1xpv s PHE 33 N 0.01 3.20 -0.60 5.22 0.08 -1.26 -1.16 117.98 123.47 1xpv s PHE 33 Ca -0.00 -0.26 0.22 0.00 0.12 0.00 0.00 56.93 57.01 1xpv s PHE 33 Cb -0.06 -2.39 0.91 0.00 -0.57 0.00 0.00 43.02 40.90 1xpv s PHE 33 CO -0.00 -0.34 1.67 0.44 -0.10 0.00 0.00 175.22 176.89 1xpv n ILE 34 N 5.04 0.83 -0.87 0.64 -5.35 -0.93 -4.81 119.36 113.92 1xpv n ILE 34 Ca -0.14 0.20 -0.35 0.00 -0.27 0.00 0.00 62.75 62.20 1xpv n ILE 34 Cb 0.50 -1.08 0.09 0.00 -1.74 0.00 0.00 39.64 37.41 1xpv n ILE 34 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1xpv n ASP 35 N -2.09 -3.52 -4.03 7.28 5.68 -1.26 -2.67 116.55 115.94 1xpv n ASP 35 Ca 0.03 0.16 -0.29 0.00 -0.50 0.00 0.00 54.79 54.19 1xpv n ASP 35 Cb 0.23 -0.93 -0.03 0.00 -1.14 0.00 0.00 41.12 39.25 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 0.77 -0.74 -3.10 -1.12 2.03 -1.26 -4.91 116.55 108.22 1xpv n ASP 36 Ca 0.02 -1.10 0.05 0.00 0.52 0.00 0.00 54.79 54.27 1xpv n ASP 36 Cb 0.59 -2.60 0.00 0.00 -0.72 0.00 0.00 41.12 38.38 1xpv n ASP 36 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xpv s ASP 37 N -4.23 -0.59 0.27 1.67 -1.08 -1.09 -5.02 116.67 106.60 1xpv s ASP 37 Ca 0.08 0.01 0.03 0.00 -0.52 0.00 0.00 52.55 52.15 1xpv s ASP 37 Cb -0.04 1.26 0.36 0.00 -1.46 0.00 0.00 42.92 43.05 1xpv s ASP 37 CO 0.92 -0.10 1.67 0.00 0.52 0.00 0.00 175.17 178.18 1xpv h ALA 38 N 7.08 1.02 -0.14 3.66 0.00 -1.91 -0.85 119.26 128.12 1xpv h ALA 38 Ca -0.07 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1xpv h ALA 38 Cb 1.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1xpv h ALA 38 CO -0.06 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.76 1xpv h ALA 39 N 1.26 0.10 -0.53 0.00 0.00 -1.95 0.82 119.26 118.95 1xpv h ALA 39 Ca 0.04 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1xpv h ALA 39 Cb 0.80 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xpv h ALA 39 CO 0.06 -0.48 -0.08 -0.07 0.00 0.00 0.00 179.25 178.68 1xpv h LEU 40 N 0.01 0.97 -0.47 0.00 3.38 -1.82 0.26 115.31 117.64 1xpv h LEU 40 Ca 0.07 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1xpv h LEU 40 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1xpv h LEU 40 CO -0.14 1.07 0.27 -0.33 0.09 0.00 0.00 178.44 179.40 1xpv h GLU 41 N 0.87 0.65 0.00 1.13 4.39 -0.36 1.34 114.58 122.60 1xpv h GLU 41 Ca 0.14 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 1xpv h GLU 41 Cb 0.63 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1xpv h GLU 41 CO 0.04 0.49 -0.59 1.03 -1.16 0.00 0.00 179.01 178.83 1xpv h SER 42 N 0.62 0.00 -0.00 1.42 0.87 0.84 1.46 113.55 118.76 1xpv h SER 42 Ca 0.17 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.56 1xpv h SER 42 Cb 0.02 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1xpv h SER 42 CO -0.03 0.59 -0.64 0.00 -0.53 0.00 0.00 176.83 176.22 1xpv h ALA 43 N 1.41 0.08 0.00 6.23 0.00 0.21 -3.43 119.26 123.76 1xpv h ALA 43 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1xpv h ALA 43 Cb 1.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xpv h ALA 43 CO 0.08 0.38 -0.22 0.66 0.00 0.00 0.00 179.25 180.15 1xpv n TYR 44 N -4.18 0.00 0.00 0.00 4.01 0.45 -4.91 117.16 112.53 1xpv n TYR 44 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1xpv n TYR 44 Cb 0.69 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 2.70 0.27 0.14 2.72 0.00 0.50 0.51 105.19 112.03 1xpv n GLY 45 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.28 0.99 7.12 -1.94 -2.94 115.31 115.26 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 -0.17 0.00 -0.53 0.00 0.00 40.66 39.96 1xpv h LEU 46 CO 0.00 0.58 0.41 0.54 -0.13 0.00 0.00 178.44 179.84 1xpv n ARG 47 N -3.64 1.78 0.00 1.25 3.00 0.18 -4.45 116.66 114.79 1xpv n ARG 47 Ca -0.01 -1.71 -0.10 0.00 -0.01 0.00 0.00 57.85 56.02 1xpv n ARG 47 Cb 0.63 -1.67 -0.05 0.00 0.00 0.00 0.00 32.46 31.36 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 0.73 0.92 0.00 1.55 2.07 -1.69 -3.14 116.25 116.69 1xpv h VAL 48 Ca 0.34 -0.00 -0.58 0.00 0.82 0.00 0.00 66.70 67.28 1xpv h VAL 48 Cb 1.57 0.91 0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1xpv h VAL 48 CO 0.72 0.00 2.96 -0.81 0.02 0.00 0.00 177.57 180.46 1xpv n PRO 49 N -5.13 2.51 -4.36 1.57 -0.04 -1.23 -3.72 135.00 124.60 1xpv n PRO 49 Ca -0.05 -1.96 -0.34 0.00 -0.04 0.00 0.00 63.50 61.12 1xpv n PRO 49 Cb 0.07 -2.81 -0.12 0.00 -0.04 0.00 0.00 33.50 30.60 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 3.42 4.00 -0.24 0.52 1.01 -1.19 -3.82 120.40 124.10 1xpv s VAL 50 Ca 0.53 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 1xpv s VAL 50 Cb 0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1xpv s VAL 50 CO -0.02 0.49 0.32 -0.22 0.00 0.00 0.00 175.10 175.68 1xpv s LEU 51 N 0.35 4.10 0.06 3.92 0.20 -1.23 -2.06 118.68 124.02 1xpv s LEU 51 Ca -0.03 0.32 0.08 0.00 0.69 0.00 0.00 54.13 55.18 1xpv s LEU 51 Cb -0.14 -2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 43.22 1xpv s LEU 51 CO 0.03 -0.08 -0.21 -0.60 -0.29 0.00 0.00 176.35 175.20 1xpv s ARG 52 N 1.55 1.32 0.33 1.98 3.52 0.35 -0.00 118.95 127.98 1xpv s ARG 52 Ca 0.14 -1.01 0.09 0.00 -0.13 0.00 0.00 55.73 54.82 1xpv s ARG 52 Cb -0.15 -1.48 -0.05 0.00 -1.56 0.00 0.00 34.95 31.71 1xpv s ARG 52 CO 0.08 0.37 0.05 0.16 -0.81 0.00 0.00 175.30 175.14 1xpv s ASP 53 N -1.40 4.39 0.34 -2.12 1.47 0.47 -0.05 116.67 119.77 1xpv s ASP 53 Ca 0.07 -0.86 0.26 0.00 1.18 0.00 0.00 52.55 53.20 1xpv s ASP 53 Cb -0.09 -0.64 0.89 0.00 -0.34 0.00 0.00 42.92 42.73 1xpv s ASP 53 CO 0.03 -0.21 1.77 1.55 0.68 0.00 0.00 175.17 178.99 1xpv h PRO 54 N 1.75 0.00 0.00 2.11 0.13 -1.88 -3.00 132.00 131.12 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 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1xpv h PRO 54 CO 0.64 0.00 -0.34 0.52 -0.23 0.00 0.00 178.00 178.59 1xpv h MET 55 N 0.00 0.00 0.00 0.86 2.86 -1.95 -3.46 114.93 113.24 1xpv h MET 55 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xpv h MET 55 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1xpv h MET 55 CO 0.00 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.72 1xpv n GLY 56 N -0.46 0.90 3.16 8.32 0.00 -1.13 -5.15 105.19 110.83 1xpv n GLY 56 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.21 0.70 0.24 1.61 0.52 -1.25 -5.01 118.95 115.96 1xpv s ARG 57 Ca 0.00 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 1xpv s ARG 57 Cb 0.00 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 1xpv s ARG 57 CO 0.00 -0.20 0.07 -1.21 0.02 0.00 0.00 175.30 173.99 1xpv s GLU 58 N -3.09 1.34 0.05 3.54 2.02 -1.26 -0.39 118.70 120.91 1xpv s GLU 58 Ca -0.01 -1.71 0.06 0.00 0.02 0.00 0.00 54.97 53.32 1xpv s GLU 58 Cb 0.02 -0.26 -0.02 0.00 0.10 0.00 0.00 34.13 33.96 1xpv s GLU 58 CO -0.07 -0.26 -0.16 -1.17 0.02 0.00 0.00 175.26 173.63 1xpv s LEU 59 N -3.28 2.20 0.24 1.80 2.96 0.99 -4.98 118.68 118.61 1xpv s LEU 59 Ca 0.35 -0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 1xpv s LEU 59 Cb 0.07 -0.68 -0.10 0.00 0.50 0.00 0.00 46.19 45.98 1xpv s LEU 59 CO 0.12 0.04 1.51 -1.81 -1.32 0.00 0.00 176.35 174.89 1xpv s ASP 60 N -1.30 6.56 0.21 3.68 1.11 -1.26 -3.47 116.67 122.20 1xpv s ASP 60 Ca 0.02 2.74 -0.18 0.00 0.18 0.00 0.00 52.55 55.31 1xpv s ASP 60 Cb -0.09 -2.62 0.20 0.00 1.07 0.00 0.00 42.92 41.49 1xpv s ASP 60 CO 0.02 -0.79 1.58 -0.25 1.18 0.00 0.00 175.17 176.91 1xpv h TRP 61 N 5.39 -0.87 -2.30 4.23 -0.00 -1.94 -3.28 115.95 117.18 1xpv h TRP 61 Ca -0.45 0.08 -0.53 0.00 -0.00 0.00 0.00 58.89 57.99 1xpv h TRP 61 Cb 1.21 0.49 -0.06 0.00 -0.00 0.00 0.00 29.16 30.81 1xpv h TRP 61 CO 0.61 -0.38 1.19 -1.25 -0.00 0.00 0.00 178.44 178.61 1xpv s PRO 62 N -6.04 2.99 0.05 2.65 0.04 -1.26 -4.92 135.00 128.51 1xpv s PRO 62 Ca -0.14 0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.17 1xpv s PRO 62 Cb 0.19 -4.25 -0.00 0.00 0.04 0.00 0.00 34.50 30.47 1xpv s PRO 62 CO 0.71 -2.34 0.04 1.97 0.04 0.00 0.00 177.00 177.42 1xpv n PHE 63 N 10.79 -0.14 -4.13 0.56 1.16 -1.24 -5.13 117.46 119.33 1xpv n PHE 63 Ca 0.12 -0.40 -0.06 0.00 -1.87 0.00 0.00 57.45 55.24 1xpv n PHE 63 Cb 0.50 0.04 -0.02 0.00 -1.61 0.00 0.00 39.48 38.40 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 -2.77 1.52 -0.05 5.98 8.00 -1.26 -4.97 116.55 122.99 1xpv n ASP 64 Ca 0.01 -1.47 -0.14 0.00 0.71 0.00 0.00 54.79 53.90 1xpv n ASP 64 Cb 0.09 0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.96 -0.86 119.26 119.78 1xpv h ALA 65 Ca -0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1xpv h ALA 65 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xpv h ALA 65 CO 0.13 -0.07 -0.14 -1.00 0.00 0.00 0.00 179.25 178.16 1xpv h PRO 66 N -0.86 0.00 0.03 0.00 0.13 -1.94 -0.83 132.00 128.53 1xpv h PRO 66 Ca -0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 1xpv h PRO 66 Cb 0.85 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 1xpv h PRO 66 CO 0.00 0.14 -1.28 -0.09 -0.23 0.00 0.00 178.00 176.54 1xpv h ARG 67 N 0.00 0.06 0.22 0.86 2.43 -1.96 -2.22 114.38 113.78 1xpv h ARG 67 Ca -0.00 -0.11 -0.33 0.00 -0.81 0.00 0.00 59.98 58.73 1xpv h ARG 67 Cb 0.85 0.04 0.04 0.00 -0.42 0.00 0.00 29.97 30.48 1xpv h ARG 67 CO 0.02 0.92 -1.42 1.25 -1.51 0.00 0.00 179.97 179.22 1xpv h LEU 68 N 0.02 0.86 -0.18 3.80 5.85 -1.03 -2.89 115.31 121.74 1xpv h LEU 68 Ca -0.12 -0.89 -0.04 0.00 0.84 0.00 0.00 57.88 57.67 1xpv h LEU 68 Cb 1.89 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1xpv h LEU 68 CO 0.13 1.69 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.80 1xpv h ARG 69 N 0.18 0.33 -0.24 1.25 1.12 -1.25 -1.41 114.38 114.36 1xpv h ARG 69 Ca -0.24 -0.12 0.05 0.00 -1.11 0.00 0.00 59.98 58.56 1xpv h ARG 69 Cb 2.11 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 32.03 1xpv h ARG 69 CO 0.27 0.58 0.17 0.00 -3.11 0.00 0.00 179.97 177.87 1xpv h ALA 70 N 0.74 2.08 -0.08 2.80 0.00 -1.50 0.37 119.26 123.67 1xpv h ALA 70 Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1xpv h ALA 70 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xpv h ALA 70 CO 0.01 -0.13 -0.67 2.35 0.00 0.00 0.00 179.25 180.82 1xpv h TRP 71 N 0.12 0.42 0.00 0.00 7.01 -1.24 -2.08 115.95 120.18 1xpv h TRP 71 Ca 0.11 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 1xpv h TRP 71 Cb 0.28 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1xpv h TRP 71 CO -0.00 0.89 -0.00 -0.07 -2.79 0.00 0.00 178.44 176.47 1xpv h LEU 72 N 0.22 -0.00 -1.77 0.65 3.38 0.64 -2.93 115.31 115.51 1xpv h LEU 72 Ca -0.02 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.58 1xpv h LEU 72 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1xpv h LEU 72 CO 0.11 0.49 0.38 0.44 0.09 0.00 0.00 178.44 179.94 1xpv h ASP 73 N -0.49 0.23 -0.35 -0.43 5.19 -0.54 0.36 116.42 120.39 1xpv h ASP 73 Ca -0.00 0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.52 1xpv h ASP 73 Cb 0.49 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1xpv h ASP 73 CO 0.00 0.13 0.43 0.00 -3.12 0.00 0.00 179.24 176.68 1xpv h ALA 74 N 1.73 2.00 -3.29 3.45 0.00 -1.17 -3.21 119.26 118.77 1xpv h ALA 74 Ca 0.26 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.54 1xpv h ALA 74 Cb 0.69 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.10 1xpv h ALA 74 CO -0.05 -0.61 -0.72 0.00 0.00 0.00 0.00 179.25 177.87 1xpv s ALA 75 N -4.54 2.38 0.94 0.00 0.00 0.13 -5.11 121.76 115.57 1xpv s ALA 75 Ca -0.04 -2.45 -0.13 0.00 0.00 0.00 0.00 51.96 49.34 1xpv s ALA 75 Cb 0.14 -1.88 0.16 0.00 0.00 0.00 0.00 23.12 21.54 1xpv s ALA 75 CO 0.50 -1.85 1.15 -1.25 0.00 0.00 0.00 175.76 174.32 1xpv s PRO 76 N 0.73 0.87 0.00 0.00 0.04 -1.21 -4.92 135.00 130.51 1xpv s PRO 76 Ca 0.14 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1xpv s PRO 76 Cb -0.21 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1xpv s PRO 76 CO -0.09 -2.36 0.00 1.58 0.04 0.00 0.00 177.00 176.17 1xpv n HIS 77 N -3.86 0.00 -0.00 0.56 -0.00 -1.26 -5.09 115.22 105.57 1xpv n HIS 77 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1xpv n HIS 77 Cb 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80