#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 2.43 0.75 3.04 0.00 -1.26 -5.07 121.76 121.64 1xpv s ALA 2 Ca 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 51.96 49.93 1xpv s ALA 2 Cb 0.00 0.35 0.13 0.00 0.00 0.00 0.00 23.12 23.61 1xpv s ALA 2 CO 0.00 -0.16 0.89 1.28 0.00 0.00 0.00 175.76 177.76 1xpv n LEU 3 N -0.66 0.00 -3.48 0.00 4.77 -1.26 -4.13 117.00 112.24 1xpv n LEU 3 Ca -0.04 -1.62 -0.04 0.00 -0.03 0.00 0.00 56.01 54.28 1xpv n LEU 3 Cb 0.65 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1xpv n LEU 3 CO 0.42 -0.99 0.11 -0.89 -1.33 0.00 0.00 177.39 174.70 1xpv s THR 4 N -2.71 -0.82 -0.34 -5.08 2.01 -1.19 -2.76 115.64 104.75 1xpv s THR 4 Ca 0.56 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.55 1xpv s THR 4 Cb -0.03 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.67 1xpv s THR 4 CO 0.38 -0.00 0.10 -0.22 -0.69 0.00 0.00 174.62 174.18 1xpv s LEU 5 N 2.74 4.34 0.08 4.42 2.96 -1.19 -2.04 118.68 129.99 1xpv s LEU 5 Ca 0.05 -1.26 -0.31 0.00 -0.22 0.00 0.00 54.13 52.39 1xpv s LEU 5 Cb -0.13 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.65 1xpv s LEU 5 CO -0.17 -0.34 1.39 -0.31 -1.32 0.00 0.00 176.35 175.59 1xpv s TYR 6 N 1.35 3.13 -0.13 5.38 2.02 -1.14 -3.59 117.35 124.38 1xpv s TYR 6 Ca -0.02 0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 57.31 1xpv s TYR 6 Cb -0.20 -3.67 0.12 0.00 -0.40 0.00 0.00 41.96 37.82 1xpv s TYR 6 CO 0.01 -2.36 0.98 1.14 -1.57 0.00 0.00 175.55 173.75 1xpv s GLN 7 N 1.47 0.64 -0.18 -0.62 -2.07 -0.52 -3.49 119.66 114.90 1xpv s GLN 7 Ca 0.64 0.06 0.01 0.00 -1.82 0.00 0.00 55.36 54.25 1xpv s GLN 7 Cb -0.35 0.30 0.03 0.00 -1.09 0.00 0.00 33.01 31.90 1xpv s GLN 7 CO 0.29 -0.22 -0.12 0.50 -1.32 0.00 0.00 175.29 174.43 1xpv s ARG 8 N -1.53 2.13 0.30 9.60 3.52 -1.26 -3.76 118.95 127.96 1xpv s ARG 8 Ca -0.00 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1xpv s ARG 8 Cb -0.01 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1xpv s ARG 8 CO -0.00 -0.35 0.00 -3.47 -0.81 0.00 0.00 175.30 170.67 1xpv n ASP 9 N 4.72 -5.95 -4.67 -2.12 -0.08 -1.26 -4.76 116.55 102.44 1xpv n ASP 9 Ca -0.16 0.62 -0.38 0.00 -1.51 0.00 0.00 54.79 53.36 1xpv n ASP 9 Cb 0.48 -3.15 -0.07 0.00 2.34 0.00 0.00 41.12 40.72 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 -6.24 6.47 0.26 1.67 -1.08 -1.26 -5.02 116.67 111.46 1xpv s ASP 10 Ca 0.00 0.56 0.02 0.00 -0.52 0.00 0.00 52.55 52.60 1xpv s ASP 10 Cb 0.00 -2.24 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 1xpv s ASP 10 CO 0.00 -0.08 0.17 0.00 0.52 0.00 0.00 175.17 175.77 1xpv h HIS 12 N 2.41 -0.13 -0.98 0.00 3.86 -1.97 -0.63 115.15 117.71 1xpv h HIS 12 Ca -0.33 -0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.09 1xpv h HIS 12 Cb 1.25 0.04 -0.11 0.00 1.06 0.00 0.00 27.41 29.64 1xpv h HIS 12 CO 0.82 0.38 0.56 1.25 0.86 0.00 0.00 177.93 181.80 1xpv h LEU 13 N -0.87 0.67 -0.36 2.43 6.46 -1.99 0.67 115.31 122.32 1xpv h LEU 13 Ca -0.01 0.12 -0.17 0.00 -0.12 0.00 0.00 57.88 57.69 1xpv h LEU 13 Cb 0.56 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1xpv h LEU 13 CO 0.02 0.18 -0.44 0.00 -0.62 0.00 0.00 178.44 177.57 1xpv h ASP 15 N 0.74 0.82 -0.06 0.00 1.82 0.18 0.99 116.42 120.90 1xpv h ASP 15 Ca 0.04 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.64 1xpv h ASP 15 Cb 1.05 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1xpv h ASP 15 CO 0.11 0.53 -0.08 1.56 -1.61 0.00 0.00 179.24 179.74 1xpv h GLN 16 N 0.93 0.33 0.02 0.28 4.20 -0.17 -0.08 115.11 120.62 1xpv h GLN 16 Ca 0.35 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1xpv h GLN 16 Cb 0.20 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1xpv h GLN 16 CO -0.12 0.43 -0.01 0.00 -0.67 0.00 0.00 178.83 178.46 1xpv h ALA 17 N 1.60 -0.02 -0.62 3.87 0.00 -0.65 -2.56 119.26 120.87 1xpv h ALA 17 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xpv h ALA 17 Cb 0.35 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1xpv h ALA 17 CO 0.02 -0.26 0.41 0.28 0.00 0.00 0.00 179.25 179.70 1xpv h VAL 18 N -0.52 1.03 -0.01 0.00 2.07 -0.93 -1.61 116.25 116.28 1xpv h VAL 18 Ca -0.00 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1xpv h VAL 18 Cb 0.50 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1xpv h VAL 18 CO 0.00 0.12 -0.03 -0.08 0.02 0.00 0.00 177.57 177.60 1xpv h GLU 19 N 0.66 -0.05 -0.99 1.57 4.22 -0.88 0.56 114.58 119.66 1xpv h GLU 19 Ca 0.26 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.76 1xpv h GLU 19 Cb 0.21 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1xpv h GLU 19 CO -0.08 -0.03 0.65 0.00 -2.18 0.00 0.00 179.01 177.37 1xpv h ALA 20 N 0.96 1.35 0.67 2.92 0.00 -0.91 0.26 119.26 124.51 1xpv h ALA 20 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xpv h ALA 20 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xpv h ALA 20 CO -0.04 0.49 -0.36 -0.07 0.00 0.00 0.00 179.25 179.27 1xpv h LEU 21 N 1.21 -0.87 -0.75 0.00 3.38 -0.62 0.17 115.31 117.84 1xpv h LEU 21 Ca 0.41 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.52 1xpv h LEU 21 Cb 0.08 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1xpv h LEU 21 CO -0.15 -0.59 0.38 0.00 0.09 0.00 0.00 178.44 178.18 1xpv h ALA 22 N -0.65 1.05 -0.26 1.53 0.00 -0.43 0.23 119.26 120.73 1xpv h ALA 22 Ca -0.09 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xpv h ALA 22 Cb 0.75 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1xpv h ALA 22 CO 0.12 -0.02 0.02 1.96 0.00 0.00 0.00 179.25 181.33 1xpv h GLN 23 N 0.64 0.10 0.00 0.00 4.20 -0.08 0.21 115.11 120.18 1xpv h GLN 23 Ca 0.37 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1xpv h GLN 23 Cb 0.39 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1xpv h GLN 23 CO -0.27 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 177.95 1xpv n ALA 24 N -2.37 1.66 -3.24 3.87 0.00 0.57 -4.87 120.51 116.13 1xpv n ALA 24 Ca -0.01 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 1xpv n ALA 24 Cb 0.13 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.14 -5.67 -0.04 0.00 1.74 0.74 -4.91 116.66 106.38 1xpv n ARG 25 Ca 0.02 0.66 -0.11 0.00 -0.77 0.00 0.00 57.85 57.65 1xpv n ARG 25 Cb 0.22 -5.13 -0.08 0.00 -1.02 0.00 0.00 32.46 26.46 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 0.79 -0.75 0.00 7.54 0.00 -1.63 -3.49 119.26 121.72 1xpv h ALA 26 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xpv h ALA 26 Cb 1.29 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1xpv h ALA 26 CO 0.43 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 179.18 1xpv n GLY 27 N -1.31 0.37 3.93 0.00 0.00 -1.26 -5.08 105.19 101.84 1xpv n GLY 27 Ca -0.04 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.29 3.87 0.28 4.61 0.00 -1.26 -5.00 121.76 122.96 1xpv s ALA 28 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 1xpv s ALA 28 Cb 0.00 -1.94 0.05 0.00 0.00 0.00 0.00 23.12 21.23 1xpv s ALA 28 CO 0.00 0.46 0.66 1.97 0.00 0.00 0.00 175.76 178.85 1xpv n PHE 29 N -0.64 -1.91 -4.98 0.00 1.16 -1.26 -4.35 117.46 105.48 1xpv n PHE 29 Ca -0.05 -1.38 -0.32 0.00 -1.87 0.00 0.00 57.45 53.83 1xpv n PHE 29 Cb 0.54 0.69 -0.14 0.00 -1.61 0.00 0.00 39.48 38.96 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 -3.48 2.56 0.09 2.97 0.08 -1.11 -4.96 117.98 114.12 1xpv s PHE 30 Ca 0.14 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 1xpv s PHE 30 Cb -0.04 -1.56 -0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1xpv s PHE 30 CO 0.08 0.13 0.43 0.45 -0.10 0.00 0.00 175.22 176.21 1xpv s SER 31 N -0.82 6.70 -0.04 1.36 0.15 -1.26 -3.18 113.70 116.60 1xpv s SER 31 Ca 0.12 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1xpv s SER 31 Cb -0.10 -2.21 0.02 0.00 -1.71 0.00 0.00 66.02 62.02 1xpv s SER 31 CO 0.01 0.17 -0.02 -0.69 1.20 0.00 0.00 173.24 173.91 1xpv s VAL 32 N -1.38 0.33 -0.30 4.45 1.01 -1.24 -4.99 120.40 118.29 1xpv s VAL 32 Ca 0.33 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.18 1xpv s VAL 32 Cb -0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1xpv s VAL 32 CO 0.18 0.19 0.37 -0.36 0.00 0.00 0.00 175.10 175.47 1xpv s PHE 33 N 1.11 3.23 -0.23 5.22 0.40 -1.25 -1.44 117.98 125.02 1xpv s PHE 33 Ca -0.08 0.23 0.27 0.00 -0.60 0.00 0.00 56.93 56.75 1xpv s PHE 33 Cb -0.14 -2.61 1.18 0.00 0.51 0.00 0.00 43.02 41.96 1xpv s PHE 33 CO -0.01 -0.31 1.82 -0.84 0.70 0.00 0.00 175.22 176.57 1xpv h ILE 34 N 5.45 0.00 -2.27 0.64 3.07 -1.94 -3.45 117.51 119.01 1xpv h ILE 34 Ca -0.31 -0.27 -0.45 0.00 1.55 0.00 0.00 64.86 65.37 1xpv h ILE 34 Cb 1.16 1.06 0.24 0.00 -0.27 0.00 0.00 36.82 39.01 1xpv h ILE 34 CO 0.66 0.00 -1.12 -0.90 -1.05 0.00 0.00 178.15 175.74 1xpv n ASP 35 N -2.52 -2.38 -4.26 2.16 5.75 -1.26 -2.74 116.55 111.31 1xpv n ASP 35 Ca 0.01 -0.13 -0.36 0.00 -0.01 0.00 0.00 54.79 54.30 1xpv n ASP 35 Cb 0.22 -0.94 -0.04 0.00 -1.03 0.00 0.00 41.12 39.33 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 -1.62 -2.55 -3.12 -1.12 8.00 -1.26 -4.87 116.55 110.02 1xpv n ASP 36 Ca 0.00 -1.06 0.04 0.00 0.71 0.00 0.00 54.79 54.48 1xpv n ASP 36 Cb 0.63 -2.54 -0.00 0.00 -0.02 0.00 0.00 41.12 39.19 1xpv n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xpv s ASP 37 N -3.45 -1.02 0.26 -2.24 -1.08 -1.11 -5.02 116.67 103.01 1xpv s ASP 37 Ca 0.65 -0.03 0.02 0.00 -0.52 0.00 0.00 52.55 52.67 1xpv s ASP 37 Cb -0.36 1.56 0.35 0.00 -1.46 0.00 0.00 42.92 43.01 1xpv s ASP 37 CO 0.94 -0.17 1.67 0.00 0.52 0.00 0.00 175.17 178.13 1xpv h ALA 38 N 7.31 1.01 -0.13 3.66 0.00 -1.89 -0.92 119.26 128.30 1xpv h ALA 38 Ca -0.04 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.50 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 0.03 0.60 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 1xpv h ALA 39 N 1.25 0.07 -0.54 0.00 0.00 -1.95 0.79 119.26 118.88 1xpv h ALA 39 Ca 0.04 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1xpv h ALA 39 Cb 0.80 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1xpv h ALA 39 CO 0.06 -0.50 -0.05 -0.07 0.00 0.00 0.00 179.25 178.70 1xpv h LEU 40 N -0.03 0.95 -0.31 0.00 3.38 -1.81 0.17 115.31 117.66 1xpv h LEU 40 Ca 0.07 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xpv h LEU 40 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1xpv h LEU 40 CO -0.15 1.03 0.18 -0.33 0.09 0.00 0.00 178.44 179.27 1xpv h GLU 41 N 0.88 0.42 -0.01 1.13 4.39 -0.33 1.08 114.58 122.14 1xpv h GLU 41 Ca 0.15 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 1xpv h GLU 41 Cb 0.58 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1xpv h GLU 41 CO 0.03 0.33 -0.51 1.03 -1.16 0.00 0.00 179.01 178.74 1xpv h SER 42 N 0.39 0.04 -0.07 1.42 0.87 0.78 1.14 113.55 118.12 1xpv h SER 42 Ca 0.11 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1xpv h SER 42 Cb 0.02 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1xpv h SER 42 CO -0.02 0.54 -0.49 0.00 -0.53 0.00 0.00 176.83 176.33 1xpv h ALA 43 N 1.47 0.16 -0.45 6.23 0.00 -0.00 -3.43 119.26 123.23 1xpv h ALA 43 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xpv h ALA 43 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1xpv h ALA 43 CO 0.07 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.31 1xpv n TYR 44 N -4.27 0.00 0.00 0.00 4.01 0.37 -4.92 117.16 112.35 1xpv n TYR 44 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1xpv n TYR 44 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 2.61 0.23 0.19 2.72 0.00 0.39 -0.97 105.19 110.35 1xpv n GLY 45 Ca 0.00 0.65 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 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 0.53 -3.32 0.99 -0.00 -1.94 -2.96 115.31 108.61 1xpv h LEU 46 Ca 0.00 -0.31 -0.32 0.00 -0.00 0.00 0.00 57.88 57.25 1xpv h LEU 46 Cb 0.00 -0.15 -0.16 0.00 -0.00 0.00 0.00 40.66 40.35 1xpv h LEU 46 CO 0.00 1.03 0.41 0.54 -0.00 0.00 0.00 178.44 180.42 1xpv n ARG 47 N -3.90 1.79 -0.12 1.13 3.00 -0.15 -4.52 116.66 113.89 1xpv n ARG 47 Ca -0.04 -1.67 -0.05 0.00 -0.01 0.00 0.00 57.85 56.08 1xpv n ARG 47 Cb 0.65 -1.66 0.02 0.00 0.00 0.00 0.00 32.46 31.47 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 0.79 0.53 -0.27 1.55 2.07 -1.71 -3.12 116.25 116.09 1xpv h VAL 48 Ca 0.33 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 67.24 1xpv h VAL 48 Cb 1.39 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1xpv h VAL 48 CO 0.73 0.00 2.27 -0.81 0.02 0.00 0.00 177.57 179.78 1xpv n PRO 49 N -5.34 2.25 -4.52 1.57 -0.04 -1.23 -4.11 135.00 123.59 1xpv n PRO 49 Ca 0.03 -2.48 -0.33 0.00 -0.04 0.00 0.00 63.50 60.67 1xpv n PRO 49 Cb 0.25 -3.31 -0.15 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 5.55 2.79 -0.37 0.52 1.01 -1.18 -3.70 120.40 125.03 1xpv s VAL 50 Ca 0.56 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 1xpv s VAL 50 Cb 0.09 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1xpv s VAL 50 CO 0.06 0.51 0.70 -0.22 0.00 0.00 0.00 175.10 176.14 1xpv s LEU 51 N 0.78 4.22 0.36 3.92 2.96 -1.18 -2.86 118.68 126.87 1xpv s LEU 51 Ca -0.05 0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.14 1xpv s LEU 51 Cb -0.15 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 1xpv s LEU 51 CO 0.01 -0.67 0.16 0.00 -1.32 0.00 0.00 176.35 174.53 1xpv s ARG 52 N 2.88 2.35 0.21 1.98 1.70 -0.87 -0.41 118.95 126.79 1xpv s ARG 52 Ca 0.27 -1.60 0.04 0.00 -0.47 0.00 0.00 55.73 53.97 1xpv s ARG 52 Cb -0.14 -2.15 -0.05 0.00 -0.57 0.00 0.00 34.95 32.04 1xpv s ARG 52 CO 0.16 0.06 -0.04 0.16 -1.08 0.00 0.00 175.30 174.55 1xpv s ASP 53 N -3.87 1.91 0.46 -2.89 -4.77 -0.53 -3.19 116.67 103.79 1xpv s ASP 53 Ca 0.39 -1.15 0.28 0.00 -3.30 0.00 0.00 52.55 48.77 1xpv s ASP 53 Cb -0.01 -0.01 0.87 0.00 -1.09 0.00 0.00 42.92 42.67 1xpv s ASP 53 CO 0.23 -0.43 1.79 1.55 0.70 0.00 0.00 175.17 179.01 1xpv h PRO 54 N 2.56 0.00 -0.44 2.11 0.13 -1.90 -3.15 132.00 131.31 1xpv h PRO 54 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 1xpv h PRO 54 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1xpv h PRO 54 CO 0.64 0.00 -0.12 0.52 -0.23 0.00 0.00 178.00 178.81 1xpv h MET 55 N 0.00 0.86 0.00 0.86 2.86 -1.93 -3.47 114.93 114.11 1xpv h MET 55 Ca 0.00 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1xpv h MET 55 Cb 0.73 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1xpv h MET 55 CO 0.00 0.98 0.00 0.41 1.06 0.00 0.00 176.91 179.36 1xpv n GLY 56 N -0.19 0.75 3.13 8.32 0.00 -1.19 -5.17 105.19 110.85 1xpv n GLY 56 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 0.69 0.14 1.61 0.52 -1.26 -5.01 118.95 115.64 1xpv s ARG 57 Ca 0.00 -1.10 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1xpv s ARG 57 Cb 0.00 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 1xpv s ARG 57 CO 0.00 -0.17 -0.03 -1.21 0.02 0.00 0.00 175.30 173.91 1xpv s GLU 58 N -3.82 0.97 0.03 3.54 2.02 -1.26 -1.45 118.70 118.74 1xpv s GLU 58 Ca 0.05 -1.44 0.03 0.00 0.02 0.00 0.00 54.97 53.64 1xpv s GLU 58 Cb 0.06 -0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.06 1xpv s GLU 58 CO -0.10 -0.08 -0.09 -1.17 0.02 0.00 0.00 175.26 173.84 1xpv s LEU 59 N -3.11 2.16 0.95 1.80 2.96 0.45 -4.98 118.68 118.91 1xpv s LEU 59 Ca 0.18 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 1xpv s LEU 59 Cb 0.06 -0.32 0.13 0.00 0.50 0.00 0.00 46.19 46.56 1xpv s LEU 59 CO -0.00 -0.06 0.94 -0.67 -1.32 0.00 0.00 176.35 175.25 1xpv n ASP 60 N 2.04 -0.42 0.14 3.68 -0.08 -1.26 -3.12 116.55 117.52 1xpv n ASP 60 Ca -0.18 0.35 -0.13 0.00 -1.51 0.00 0.00 54.79 53.31 1xpv n ASP 60 Cb 0.56 -1.39 -0.08 0.00 2.34 0.00 0.00 41.12 42.55 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1xpv h TRP 61 N -1.88 -0.34 -3.04 -0.67 -0.00 -1.93 -3.42 115.95 104.66 1xpv h TRP 61 Ca -0.45 -0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.87 1xpv h TRP 61 Cb 1.28 0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 30.51 1xpv h TRP 61 CO 0.45 -0.01 0.97 -1.25 -0.00 0.00 0.00 178.44 178.61 1xpv s PRO 62 N -4.62 3.98 0.09 2.65 0.04 -1.26 -4.96 135.00 130.93 1xpv s PRO 62 Ca -0.14 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 1xpv s PRO 62 Cb 0.02 -3.87 0.01 0.00 0.04 0.00 0.00 34.50 30.70 1xpv s PRO 62 CO 0.55 -1.03 0.15 1.97 0.04 0.00 0.00 177.00 178.68 1xpv n PHE 63 N 7.45 -0.91 -4.18 0.56 1.16 -1.26 -5.12 117.46 115.16 1xpv n PHE 63 Ca 0.15 -0.54 -0.09 0.00 -1.87 0.00 0.00 57.45 55.10 1xpv n PHE 63 Cb 0.46 0.17 -0.02 0.00 -1.61 0.00 0.00 39.48 38.48 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 -1.71 1.54 -0.05 5.98 8.00 -1.26 -4.98 116.55 124.08 1xpv n ASP 64 Ca -0.01 -1.68 -0.14 0.00 0.71 0.00 0.00 54.79 53.67 1xpv n ASP 64 Cb 0.15 0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.37 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 1.16 0.00 0.00 2.24 0.00 -1.98 -0.81 119.26 119.88 1xpv h ALA 65 Ca -0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1xpv h ALA 65 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xpv h ALA 65 CO 0.18 -0.05 -0.12 -1.00 0.00 0.00 0.00 179.25 178.25 1xpv h PRO 66 N -0.82 0.00 0.06 0.00 0.13 -1.96 -0.38 132.00 129.03 1xpv h PRO 66 Ca -0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 1xpv h PRO 66 Cb 0.88 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1xpv h PRO 66 CO 0.01 0.12 -1.33 -0.09 -0.23 0.00 0.00 178.00 176.48 1xpv h ARG 67 N 0.00 0.13 0.21 0.86 2.43 -1.96 -2.08 114.38 113.97 1xpv h ARG 67 Ca -0.00 -0.22 -0.32 0.00 -0.81 0.00 0.00 59.98 58.62 1xpv h ARG 67 Cb 0.84 0.08 0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1xpv h ARG 67 CO 0.02 1.00 -1.40 1.25 -1.51 0.00 0.00 179.97 179.32 1xpv h LEU 68 N 0.04 0.82 -0.06 3.80 5.85 -1.03 -2.99 115.31 121.74 1xpv h LEU 68 Ca -0.15 -0.84 -0.01 0.00 0.84 0.00 0.00 57.88 57.71 1xpv h LEU 68 Cb 1.93 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1xpv h LEU 68 CO 0.15 1.65 -0.01 -0.09 -0.34 0.00 0.00 178.44 179.80 1xpv h ARG 69 N 0.17 0.11 -0.66 1.25 9.65 -1.17 -0.39 114.38 123.34 1xpv h ARG 69 Ca -0.23 -0.04 0.14 0.00 -1.10 0.00 0.00 59.98 58.75 1xpv h ARG 69 Cb 2.09 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 30.63 1xpv h ARG 69 CO 0.26 0.45 0.45 0.00 2.80 0.00 0.00 179.97 183.93 1xpv h ALA 70 N 0.66 2.22 -0.07 2.80 0.00 -1.48 0.46 119.26 123.85 1xpv h ALA 70 Ca 0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1xpv h ALA 70 Cb 0.41 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xpv h ALA 70 CO 0.01 -0.40 -0.85 2.35 0.00 0.00 0.00 179.25 180.36 1xpv h TRP 71 N 0.29 0.82 -0.60 0.00 7.01 -1.33 -1.98 115.95 120.16 1xpv h TRP 71 Ca 0.32 -0.40 -0.00 0.00 2.11 0.00 0.00 58.89 60.92 1xpv h TRP 71 Cb 0.86 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 1xpv h TRP 71 CO -0.00 1.21 0.37 -0.07 -2.79 0.00 0.00 178.44 177.15 1xpv h LEU 72 N 0.37 0.72 0.00 0.65 3.38 0.15 0.12 115.31 120.71 1xpv h LEU 72 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1xpv h LEU 72 Cb 1.47 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1xpv h LEU 72 CO 0.16 0.56 0.00 0.47 0.09 0.00 0.00 178.44 179.72 1xpv n ASP 73 N -4.62 0.00 0.10 -0.43 8.00 0.40 -2.17 116.55 117.83 1xpv n ASP 73 Ca 0.04 0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.73 1xpv n ASP 73 Cb 0.05 -0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 40.80 1xpv n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpv n ALA 74 N -1.34 2.48 -0.07 2.24 0.00 0.30 -4.12 120.51 120.00 1xpv n ALA 74 Ca 0.10 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1xpv n ALA 74 Cb 0.22 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1xpv n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpv h ALA 75 N 1.96 -0.27 -2.46 0.00 0.00 -0.74 -3.40 119.26 114.35 1xpv h ALA 75 Ca -0.01 0.07 -0.46 0.00 0.00 0.00 0.00 54.91 54.51 1xpv h ALA 75 Cb 1.04 0.67 0.13 0.00 0.00 0.00 0.00 17.79 19.63 1xpv h ALA 75 CO 0.00 -0.76 0.30 -1.25 0.00 0.00 0.00 179.25 177.54 1xpv s PRO 76 N -5.99 1.07 0.00 0.00 0.04 -1.26 -3.92 135.00 124.93 1xpv s PRO 76 Ca -0.15 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1xpv s PRO 76 Cb 0.12 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1xpv s PRO 76 CO 0.67 -2.24 0.00 1.58 0.04 0.00 0.00 177.00 177.05 1xpv n HIS 77 N -3.79 0.00 0.00 0.56 -0.00 -1.26 -5.04 115.22 105.69 1xpv n HIS 77 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 1xpv n HIS 77 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34