#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 -0.29 3.17 0.00 -1.26 -4.96 120.51 117.17 1xpv n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1xpv n ALA 2 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1xpv n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xpv n LEU 3 N 0.00 -0.60 -3.30 0.00 4.77 -1.26 -4.69 117.00 111.91 1xpv n LEU 3 Ca 0.00 -0.74 -0.07 0.00 -0.03 0.00 0.00 56.01 55.16 1xpv n LEU 3 Cb 0.00 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 1xpv n LEU 3 CO 0.00 -4.33 -0.03 -0.89 -1.33 0.00 0.00 177.39 170.81 1xpv s THR 4 N -2.14 -0.67 -0.44 -5.08 2.01 -0.89 -2.99 115.64 105.45 1xpv s THR 4 Ca 0.63 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 1xpv s THR 4 Cb -0.13 -0.91 0.07 0.00 0.01 0.00 0.00 72.50 71.54 1xpv s THR 4 CO 0.55 -0.17 0.33 -0.22 -0.69 0.00 0.00 174.62 174.41 1xpv s LEU 5 N 2.59 5.36 0.35 4.42 2.96 -1.17 -1.94 118.68 131.24 1xpv s LEU 5 Ca 0.12 -1.34 -0.28 0.00 -0.22 0.00 0.00 54.13 52.40 1xpv s LEU 5 Cb -0.14 -2.10 -0.11 0.00 0.50 0.00 0.00 46.19 44.35 1xpv s LEU 5 CO -0.22 -0.58 1.40 -0.31 -1.32 0.00 0.00 176.35 175.32 1xpv s TYR 6 N 1.56 2.83 -0.11 5.38 2.02 -0.57 -3.73 117.35 124.73 1xpv s TYR 6 Ca 0.04 1.28 -0.30 0.00 -0.37 0.00 0.00 57.07 57.71 1xpv s TYR 6 Cb -0.23 -3.85 0.12 0.00 -0.40 0.00 0.00 41.96 37.60 1xpv s TYR 6 CO 0.05 -2.44 0.96 1.14 -1.57 0.00 0.00 175.55 173.70 1xpv s GLN 7 N -1.86 0.67 -0.14 -0.62 -2.07 -0.13 -3.66 119.66 111.85 1xpv s GLN 7 Ca 0.51 -0.01 -0.03 0.00 -1.82 0.00 0.00 55.36 54.01 1xpv s GLN 7 Cb -0.43 0.31 0.05 0.00 -1.09 0.00 0.00 33.01 31.85 1xpv s GLN 7 CO 0.57 -0.24 0.05 -0.98 -1.32 0.00 0.00 175.29 173.36 1xpv s ARG 8 N -1.86 0.37 1.89 9.60 1.70 -1.26 -3.83 118.95 125.56 1xpv s ARG 8 Ca 0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.19 1xpv s ARG 8 Cb -0.01 -1.53 0.00 0.00 -0.57 0.00 0.00 34.95 32.84 1xpv s ARG 8 CO -0.02 -0.52 0.00 -3.47 -1.08 0.00 0.00 175.30 170.21 1xpv n ASP 9 N 5.18 -0.29 -3.91 -2.89 -0.08 -1.26 -4.77 116.55 108.52 1xpv n ASP 9 Ca -0.07 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.92 1xpv n ASP 9 Cb 0.49 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.79 1xpv n ASP 9 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1xpv s ASP 10 N -4.00 3.28 0.00 1.67 1.11 -1.26 -5.06 116.67 112.41 1xpv s ASP 10 Ca 0.00 -0.89 0.00 0.00 0.18 0.00 0.00 52.55 51.84 1xpv s ASP 10 Cb 0.00 -1.03 0.00 0.00 1.07 0.00 0.00 42.92 42.96 1xpv s ASP 10 CO 0.00 -0.21 0.00 0.00 1.18 0.00 0.00 175.17 176.14 1xpv n HIS 12 N 0.00 0.00 -0.35 0.00 8.25 -1.26 -3.95 115.22 117.91 1xpv n HIS 12 Ca 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.72 1xpv n HIS 12 Cb 0.00 -0.50 0.51 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.34 0.46 0.01 2.41 5.85 -1.99 1.00 115.31 122.72 1xpv h LEU 13 Ca -0.33 0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.41 1xpv h LEU 13 Cb 1.36 0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.52 1xpv h LEU 13 CO -0.16 -0.12 -0.56 0.00 -0.34 0.00 0.00 178.44 177.27 1xpv h ASP 15 N -0.21 -0.72 -0.42 0.00 3.32 0.56 0.58 116.42 119.53 1xpv h ASP 15 Ca -0.07 0.15 0.09 0.00 0.02 0.00 0.00 57.03 57.21 1xpv h ASP 15 Cb 1.29 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 41.18 1xpv h ASP 15 CO 0.11 -0.25 0.29 1.56 -1.72 0.00 0.00 179.24 179.23 1xpv h GLN 16 N -0.18 0.19 0.04 3.56 4.20 0.13 0.80 115.11 123.85 1xpv h GLN 16 Ca 0.16 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xpv h GLN 16 Cb 0.44 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1xpv h GLN 16 CO -0.43 0.12 -0.02 0.00 -0.67 0.00 0.00 178.83 177.83 1xpv h ALA 17 N 1.78 -0.06 -0.55 3.87 0.00 -0.09 -1.91 119.26 122.31 1xpv h ALA 17 Ca 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xpv h ALA 17 Cb 0.52 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1xpv h ALA 17 CO -0.03 -0.24 0.22 0.28 0.00 0.00 0.00 179.25 179.47 1xpv h VAL 18 N -0.64 1.20 0.09 0.00 2.07 0.86 -1.61 116.25 118.21 1xpv h VAL 18 Ca -0.01 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1xpv h VAL 18 Cb 0.57 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1xpv h VAL 18 CO 0.01 0.25 -0.05 -0.08 0.02 0.00 0.00 177.57 177.72 1xpv h GLU 19 N 0.79 -0.13 -0.98 1.57 4.22 0.60 0.25 114.58 120.90 1xpv h GLU 19 Ca 0.19 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.69 1xpv h GLU 19 Cb 0.16 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1xpv h GLU 19 CO -0.02 -0.08 0.64 0.00 -2.18 0.00 0.00 179.01 177.37 1xpv h ALA 20 N 0.79 1.40 0.83 2.92 0.00 -0.97 0.76 119.26 124.98 1xpv h ALA 20 Ca -0.01 -0.03 -0.04 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 17.58 1xpv h ALA 20 CO 0.01 0.48 -0.40 -0.07 0.00 0.00 0.00 179.25 179.27 1xpv h LEU 21 N 1.19 -0.95 -0.73 0.00 3.38 -0.68 0.20 115.31 117.72 1xpv h LEU 21 Ca 0.41 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.49 1xpv h LEU 21 Cb 0.10 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1xpv h LEU 21 CO -0.14 -0.62 0.39 0.00 0.09 0.00 0.00 178.44 178.15 1xpv h ALA 22 N -1.15 1.02 -0.91 1.53 0.00 -0.16 0.33 119.26 119.91 1xpv h ALA 22 Ca -0.11 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xpv h ALA 22 Cb 0.87 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1xpv h ALA 22 CO 0.19 0.00 0.58 1.96 0.00 0.00 0.00 179.25 181.99 1xpv h GLN 23 N 0.66 1.07 0.00 0.00 4.20 0.70 0.25 115.11 121.99 1xpv h GLN 23 Ca 0.35 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1xpv h GLN 23 Cb 0.34 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1xpv h GLN 23 CO -0.25 0.71 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 1xpv n ALA 24 N -2.35 2.23 -3.66 3.87 0.00 0.69 -4.90 120.51 116.39 1xpv n ALA 24 Ca 0.13 -0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 1xpv n ALA 24 Cb 0.13 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.59 -7.49 -0.36 0.00 5.12 0.97 -4.85 116.66 108.47 1xpv n ARG 25 Ca 0.06 0.78 0.10 0.00 -1.93 0.00 0.00 57.85 56.87 1xpv n ARG 25 Cb 0.33 -5.81 0.28 0.00 -1.16 0.00 0.00 32.46 26.10 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 1.01 1.60 0.00 7.54 0.00 -1.67 -3.48 119.26 124.26 1xpv h ALA 26 Ca -0.57 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xpv h ALA 26 Cb 1.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xpv h ALA 26 CO 0.58 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1xpv n GLY 27 N -1.34 0.03 3.93 0.00 0.00 -1.26 -5.04 105.19 101.52 1xpv n GLY 27 Ca 0.21 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.96 3.79 0.32 4.61 0.00 -1.26 -4.96 121.76 122.30 1xpv s ALA 28 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1xpv s ALA 28 Cb 0.00 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 21.14 1xpv s ALA 28 CO 0.00 0.32 0.61 1.97 0.00 0.00 0.00 175.76 178.66 1xpv n PHE 29 N -0.94 -1.98 -4.67 0.00 1.16 -1.26 -4.57 117.46 105.20 1xpv n PHE 29 Ca -0.05 -1.63 -0.30 0.00 -1.87 0.00 0.00 57.45 53.60 1xpv n PHE 29 Cb 0.54 0.71 -0.13 0.00 -1.61 0.00 0.00 39.48 39.00 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 -3.33 2.47 -0.04 2.97 0.40 -1.16 -4.97 117.98 114.32 1xpv s PHE 30 Ca 0.15 -0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 1xpv s PHE 30 Cb -0.03 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 1xpv s PHE 30 CO 0.11 0.24 0.25 -1.12 0.70 0.00 0.00 175.22 175.40 1xpv s SER 31 N -1.50 6.53 -0.00 1.36 0.01 -1.26 -3.06 113.70 115.77 1xpv s SER 31 Ca 0.14 0.62 0.01 0.00 1.31 0.00 0.00 55.95 58.03 1xpv s SER 31 Cb -0.10 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1xpv s SER 31 CO 0.05 0.33 -0.02 -0.69 0.41 0.00 0.00 173.24 173.32 1xpv s VAL 32 N -1.15 0.17 -0.18 3.43 1.01 -1.24 -4.99 120.40 117.45 1xpv s VAL 32 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1xpv s VAL 32 Cb -0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1xpv s VAL 32 CO 0.11 0.06 0.03 -0.36 0.00 0.00 0.00 175.10 174.94 1xpv s PHE 33 N 0.07 3.15 -2.12 5.22 0.40 -1.25 -0.96 117.98 122.50 1xpv s PHE 33 Ca -0.00 -0.11 0.31 0.00 -0.60 0.00 0.00 56.93 56.53 1xpv s PHE 33 Cb -0.02 -2.05 1.66 0.00 0.51 0.00 0.00 43.02 43.11 1xpv s PHE 33 CO -0.00 0.04 2.09 0.44 0.70 0.00 0.00 175.22 178.48 1xpv n ILE 34 N 3.67 0.00 -1.22 0.64 -5.35 -1.26 -4.04 119.36 111.80 1xpv n ILE 34 Ca -0.17 -0.07 -0.19 0.00 -0.27 0.00 0.00 62.75 62.05 1xpv n ILE 34 Cb 0.52 -0.22 -0.10 0.00 -1.74 0.00 0.00 39.64 38.10 1xpv n ILE 34 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1xpv n ASP 35 N -0.69 5.90 -1.13 7.28 2.03 -1.26 -3.32 116.55 125.36 1xpv n ASP 35 Ca 0.22 -2.86 -0.04 0.00 0.52 0.00 0.00 54.79 52.64 1xpv n ASP 35 Cb 0.18 -1.30 -0.01 0.00 -0.72 0.00 0.00 41.12 39.26 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 1.58 -0.67 0.00 1.67 2.03 -1.26 -5.07 116.55 114.84 1xpv n ASP 36 Ca 0.44 -1.33 0.00 0.00 0.52 0.00 0.00 54.79 54.42 1xpv n ASP 36 Cb 0.71 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 1xpv n ASP 36 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xpv n ASP 37 N -0.22 0.00 -0.28 1.67 -0.08 -1.21 -5.01 116.55 111.42 1xpv n ASP 37 Ca -0.15 0.00 0.29 0.00 -1.51 0.00 0.00 54.79 53.42 1xpv n ASP 37 Cb 0.57 0.00 0.66 0.00 2.34 0.00 0.00 41.12 44.69 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 2.74 -0.89 -1.67 0.00 -1.98 0.92 119.26 118.39 1xpv h ALA 38 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 38 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1xpv h ALA 38 CO 0.00 -1.08 0.58 0.00 0.00 0.00 0.00 179.25 178.75 1xpv h ALA 39 N 1.52 1.17 -0.01 0.00 0.00 -1.94 0.73 119.26 120.72 1xpv h ALA 39 Ca 0.53 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.22 1xpv h ALA 39 Cb 1.84 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1xpv h ALA 39 CO -0.10 0.44 -0.80 -0.07 0.00 0.00 0.00 179.25 178.72 1xpv h LEU 40 N 1.13 0.21 -0.23 0.00 3.38 0.49 -0.36 115.31 119.94 1xpv h LEU 40 Ca 0.35 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1xpv h LEU 40 Cb -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xpv h LEU 40 CO -0.11 0.93 -0.09 -0.33 0.09 0.00 0.00 178.44 178.93 1xpv h GLU 41 N 0.10 0.46 0.00 1.13 4.39 0.22 0.29 114.58 121.18 1xpv h GLU 41 Ca -0.03 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.35 1xpv h GLU 41 Cb 1.40 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 1xpv h GLU 41 CO 0.12 0.72 -0.58 1.03 -1.16 0.00 0.00 179.01 179.14 1xpv h SER 42 N 0.18 0.00 0.10 1.42 0.87 0.41 1.43 113.55 117.96 1xpv h SER 42 Ca 0.05 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.40 1xpv h SER 42 Cb 0.57 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1xpv h SER 42 CO 0.03 0.58 -0.83 0.00 -0.53 0.00 0.00 176.83 176.08 1xpv h ALA 43 N 1.42 0.39 -0.80 6.23 0.00 -0.89 -3.42 119.26 122.18 1xpv h ALA 43 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1xpv h ALA 43 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xpv h ALA 43 CO 0.08 0.74 0.00 0.66 0.00 0.00 0.00 179.25 180.72 1xpv n TYR 44 N -3.85 0.00 0.00 0.00 4.01 0.10 -4.91 117.16 112.51 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 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 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 2.95 0.32 0.08 2.72 0.00 0.49 -1.57 105.19 110.18 1xpv n GLY 45 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 0.57 -2.00 0.99 7.99 -1.26 -4.10 117.00 119.19 1xpv n LEU 46 Ca 0.00 0.25 -0.21 0.00 -0.01 0.00 0.00 56.01 56.03 1xpv n LEU 46 Cb 0.00 0.12 0.05 0.00 -0.11 0.00 0.00 43.42 43.48 1xpv n LEU 46 CO 0.00 0.15 1.27 0.54 -1.51 0.00 0.00 177.39 177.84 1xpv n ARG 47 N -2.74 2.03 -0.21 3.23 1.74 -0.61 -4.52 116.66 115.58 1xpv n ARG 47 Ca -0.12 -2.02 -0.02 0.00 -0.77 0.00 0.00 57.85 54.92 1xpv n ARG 47 Cb 0.82 -1.79 0.09 0.00 -1.02 0.00 0.00 32.46 30.56 1xpv n ARG 47 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xpv h VAL 48 N 0.98 0.94 0.00 1.55 2.07 -1.80 -3.07 116.25 116.91 1xpv h VAL 48 Ca 0.38 -0.21 -0.57 0.00 0.82 0.00 0.00 66.70 67.12 1xpv h VAL 48 Cb 0.95 0.28 0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1xpv h VAL 48 CO 0.97 0.11 2.99 -0.81 0.02 0.00 0.00 177.57 180.86 1xpv n PRO 49 N -4.84 2.55 -4.67 1.57 -0.04 -1.24 -3.72 135.00 124.62 1xpv n PRO 49 Ca 0.08 -1.93 -0.34 0.00 -0.04 0.00 0.00 63.50 61.27 1xpv n PRO 49 Cb 0.18 -2.78 -0.12 0.00 -0.04 0.00 0.00 33.50 30.74 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 3.33 3.54 -0.16 0.52 1.01 -1.16 -4.03 120.40 123.45 1xpv s VAL 50 Ca 0.53 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 1xpv s VAL 50 Cb 0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1xpv s VAL 50 CO -0.02 0.58 -0.00 -0.76 0.00 0.00 0.00 175.10 174.90 1xpv s LEU 51 N -0.59 3.46 0.13 3.92 1.43 -1.23 -1.51 118.68 124.28 1xpv s LEU 51 Ca 0.09 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1xpv s LEU 51 Cb -0.12 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1xpv s LEU 51 CO 0.02 0.19 -0.15 0.00 0.23 0.00 0.00 176.35 176.64 1xpv s ARG 52 N 0.25 1.06 0.36 1.70 1.70 -0.82 0.22 118.95 123.42 1xpv s ARG 52 Ca -0.00 -1.26 0.09 0.00 -0.47 0.00 0.00 55.73 54.09 1xpv s ARG 52 Cb -0.13 -0.98 -0.07 0.00 -0.57 0.00 0.00 34.95 33.20 1xpv s ARG 52 CO 0.02 0.19 -0.07 0.16 -1.08 0.00 0.00 175.30 174.52 1xpv s ASP 53 N -2.45 3.75 0.49 -2.89 1.47 0.50 -2.09 116.67 115.44 1xpv s ASP 53 Ca 0.10 -1.24 0.28 0.00 1.18 0.00 0.00 52.55 52.86 1xpv s ASP 53 Cb -0.05 -0.36 0.85 0.00 -0.34 0.00 0.00 42.92 43.02 1xpv s ASP 53 CO 0.04 -0.27 1.79 1.55 0.68 0.00 0.00 175.17 178.96 1xpv h PRO 54 N 1.97 0.00 -0.34 2.11 0.13 -1.87 -3.08 132.00 130.91 1xpv h PRO 54 Ca -0.42 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1xpv h PRO 54 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1xpv h PRO 54 CO 0.73 0.02 0.13 0.52 -0.23 0.00 0.00 178.00 179.17 1xpv h MET 55 N 0.00 0.48 0.00 0.86 2.86 -1.95 -3.46 114.93 113.72 1xpv h MET 55 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1xpv h MET 55 Cb 0.77 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1xpv h MET 55 CO 0.00 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.79 1xpv n GLY 56 N -1.21 1.38 3.18 8.32 0.00 -1.16 -5.03 105.19 110.67 1xpv n GLY 56 Ca 0.02 0.00 -0.11 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 -0.07 1.07 0.22 1.61 0.52 -1.25 -5.01 118.95 116.04 1xpv s ARG 57 Ca 0.00 -1.54 -0.01 0.00 -0.52 0.00 0.00 55.73 53.66 1xpv s ARG 57 Cb 0.00 0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.66 1xpv s ARG 57 CO 0.00 -0.32 0.19 -1.83 0.02 0.00 0.00 175.30 173.36 1xpv s GLU 58 N -4.10 1.30 0.04 3.54 4.04 -1.26 -0.37 118.70 121.89 1xpv s GLU 58 Ca 0.31 -1.63 0.07 0.00 0.04 0.00 0.00 54.97 53.76 1xpv s GLU 58 Cb 0.07 0.30 -0.02 0.00 0.02 0.00 0.00 34.13 34.50 1xpv s GLU 58 CO 0.07 -0.45 -0.21 -1.17 -1.84 0.00 0.00 175.26 171.66 1xpv s LEU 59 N -3.17 2.15 0.24 1.83 0.20 0.13 -4.97 118.68 115.10 1xpv s LEU 59 Ca 0.37 -0.51 -0.30 0.00 0.69 0.00 0.00 54.13 54.39 1xpv s LEU 59 Cb 0.06 -1.00 -0.10 0.00 -0.43 0.00 0.00 46.19 44.71 1xpv s LEU 59 CO 0.13 0.18 1.49 -0.62 -0.29 0.00 0.00 176.35 177.24 1xpv s ASP 60 N -1.09 6.59 0.23 3.68 2.15 -1.26 -3.52 116.67 123.45 1xpv s ASP 60 Ca 0.08 2.70 -0.16 0.00 0.43 0.00 0.00 52.55 55.61 1xpv s ASP 60 Cb -0.09 -2.62 0.26 0.00 -0.30 0.00 0.00 42.92 40.17 1xpv s ASP 60 CO 0.01 -0.76 1.58 -0.25 -0.17 0.00 0.00 175.17 175.58 1xpv h TRP 61 N 5.36 -0.79 -2.47 -5.34 -0.00 -1.95 -3.29 115.95 107.48 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 1.22 0.47 -0.06 0.00 -0.00 0.00 0.00 29.16 30.79 1xpv h TRP 61 CO 0.61 -0.38 1.17 -1.25 -0.00 0.00 0.00 178.44 178.58 1xpv s PRO 62 N -6.08 3.09 0.25 2.65 0.04 -1.26 -4.93 135.00 128.76 1xpv s PRO 62 Ca -0.14 0.37 0.02 0.00 0.04 0.00 0.00 61.00 61.29 1xpv s PRO 62 Cb 0.20 -4.21 -0.01 0.00 0.04 0.00 0.00 34.50 30.52 1xpv s PRO 62 CO 0.73 -2.21 0.29 1.97 0.04 0.00 0.00 177.00 177.82 1xpv n PHE 63 N 10.45 -0.90 -4.18 0.56 1.16 -1.24 -5.13 117.46 118.19 1xpv n PHE 63 Ca 0.13 -1.88 -0.08 0.00 -1.87 0.00 0.00 57.45 53.75 1xpv n PHE 63 Cb 0.50 0.32 -0.02 0.00 -1.61 0.00 0.00 39.48 38.67 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 -1.89 1.79 -0.05 5.98 8.00 -1.26 -4.98 116.55 124.13 1xpv n ASP 64 Ca 0.03 -1.61 -0.14 0.00 0.71 0.00 0.00 54.79 53.78 1xpv n ASP 64 Cb 0.44 0.18 -0.12 0.00 -0.02 0.00 0.00 41.12 41.60 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 1.12 -0.00 0.00 2.24 0.00 -1.96 -1.47 119.26 119.19 1xpv h ALA 65 Ca -0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1xpv h ALA 65 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xpv h ALA 65 CO 0.17 -0.07 -0.47 -1.00 0.00 0.00 0.00 179.25 177.88 1xpv h PRO 66 N -0.85 0.00 0.01 0.00 0.13 -1.94 -1.18 132.00 128.17 1xpv h PRO 66 Ca -0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1xpv h PRO 66 Cb 0.85 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1xpv h PRO 66 CO 0.00 0.47 -0.91 -0.09 -0.23 0.00 0.00 178.00 177.24 1xpv h ARG 67 N 0.00 0.07 0.21 0.86 2.43 -1.96 -0.23 114.38 115.75 1xpv h ARG 67 Ca -0.00 -0.08 -0.32 0.00 -0.81 0.00 0.00 59.98 58.76 1xpv h ARG 67 Cb 1.11 0.03 0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1xpv h ARG 67 CO 0.06 0.92 -1.39 1.25 -1.51 0.00 0.00 179.97 179.31 1xpv h LEU 68 N 0.03 0.85 0.02 3.80 5.85 -1.15 -2.81 115.31 121.90 1xpv h LEU 68 Ca -0.03 -0.89 -0.00 0.00 0.84 0.00 0.00 57.88 57.80 1xpv h LEU 68 Cb 1.58 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1xpv h LEU 68 CO 0.13 1.68 -0.01 -0.09 -0.34 0.00 0.00 178.44 179.80 1xpv h ARG 69 N 0.17 -0.03 -0.57 1.25 9.65 -1.25 -1.28 114.38 122.31 1xpv h ARG 69 Ca -0.23 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 58.77 1xpv h ARG 69 Cb 2.08 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.63 1xpv h ARG 69 CO 0.26 0.41 0.39 0.00 2.80 0.00 0.00 179.97 183.83 1xpv h ALA 70 N 0.48 2.24 -0.21 2.80 0.00 -1.15 0.43 119.26 123.86 1xpv h ALA 70 Ca -0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1xpv h ALA 70 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xpv h ALA 70 CO 0.01 -0.39 -0.62 2.35 0.00 0.00 0.00 179.25 180.59 1xpv h TRP 71 N 0.21 0.93 0.28 0.00 7.01 -1.29 0.64 115.95 123.73 1xpv h TRP 71 Ca 0.27 -0.36 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 1xpv h TRP 71 Cb 0.78 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 1xpv h TRP 71 CO -0.00 1.15 -0.14 -0.07 -2.79 0.00 0.00 178.44 176.60 1xpv h LEU 72 N 0.53 -0.32 -0.66 0.65 3.38 0.94 -2.86 115.31 116.96 1xpv h LEU 72 Ca -0.01 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1xpv h LEU 72 Cb 1.21 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1xpv h LEU 72 CO 0.13 -0.14 -0.12 -0.78 0.09 0.00 0.00 178.44 177.62 1xpv h ASP 73 N -0.49 0.92 -1.38 -0.43 3.58 -0.82 -2.63 116.42 115.17 1xpv h ASP 73 Ca -0.04 -0.30 0.46 0.00 0.42 0.00 0.00 57.03 57.58 1xpv h ASP 73 Cb 0.37 -0.25 -0.13 0.00 1.72 0.00 0.00 39.33 41.04 1xpv h ASP 73 CO 0.06 1.04 0.89 0.00 -2.88 0.00 0.00 179.24 178.36 1xpv h ALA 74 N 1.04 2.84 -6.89 -0.78 0.00 0.52 -3.44 119.26 112.54 1xpv h ALA 74 Ca 0.13 0.11 -0.56 0.00 0.00 0.00 0.00 54.91 54.60 1xpv h ALA 74 Cb 0.65 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xpv h ALA 74 CO 0.05 -1.49 -1.05 0.00 0.00 0.00 0.00 179.25 176.75 1xpv n ALA 75 N -2.54 -2.69 -1.53 0.00 0.00 -0.99 -4.90 120.51 107.85 1xpv n ALA 75 Ca 0.39 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1xpv n ALA 75 Cb 1.52 -1.73 0.14 0.00 0.00 0.00 0.00 19.45 19.38 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 -6.40 0.99 0.19 0.00 0.04 -1.26 -5.02 135.00 123.54 1xpv s PRO 76 Ca 0.28 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1xpv s PRO 76 Cb -0.16 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1xpv s PRO 76 CO 0.93 -2.29 0.00 1.58 0.04 0.00 0.00 177.00 177.27 1xpv n HIS 77 N -3.82 -1.65 -0.92 0.56 -0.00 -1.26 -4.94 115.22 103.19 1xpv n HIS 77 Ca 0.07 0.29 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1xpv n HIS 77 Cb 0.59 0.51 0.00 0.00 -0.12 0.00 0.00 29.99 30.97 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80