#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 3.64 0.34 3.04 0.00 -1.26 -4.84 121.76 122.69 1xpv s ALA 2 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1xpv s ALA 2 Cb 0.00 -2.44 0.05 0.00 0.00 0.00 0.00 23.12 20.73 1xpv s ALA 2 CO 0.00 0.35 0.41 1.28 0.00 0.00 0.00 175.76 177.80 1xpv n LEU 3 N 2.37 0.00 -3.41 0.00 4.77 -1.26 -4.63 117.00 114.83 1xpv n LEU 3 Ca -0.12 -1.58 -0.16 0.00 -0.03 0.00 0.00 56.01 54.13 1xpv n LEU 3 Cb 0.52 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1xpv n LEU 3 CO 0.39 -0.58 -0.16 -0.89 -1.33 0.00 0.00 177.39 174.83 1xpv s THR 4 N -1.31 -0.43 -0.32 -5.08 2.01 -0.56 -1.16 115.64 108.79 1xpv s THR 4 Ca 0.31 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1xpv s THR 4 Cb -0.02 -0.86 0.06 0.00 0.01 0.00 0.00 72.50 71.69 1xpv s THR 4 CO 0.20 -0.31 0.04 -0.22 -0.69 0.00 0.00 174.62 173.64 1xpv s LEU 5 N 2.39 4.20 0.27 4.42 2.96 -1.19 -1.51 118.68 130.22 1xpv s LEU 5 Ca 0.09 -1.48 -0.30 0.00 -0.22 0.00 0.00 54.13 52.23 1xpv s LEU 5 Cb -0.15 -1.72 -0.10 0.00 0.50 0.00 0.00 46.19 44.72 1xpv s LEU 5 CO -0.23 -0.32 1.42 -0.31 -1.32 0.00 0.00 176.35 175.59 1xpv s TYR 6 N 1.20 3.01 0.16 5.38 2.02 -1.06 -3.79 117.35 124.27 1xpv s TYR 6 Ca -0.02 1.09 -0.11 0.00 -0.37 0.00 0.00 57.07 57.67 1xpv s TYR 6 Cb -0.20 -3.80 0.00 0.00 -0.40 0.00 0.00 41.96 37.55 1xpv s TYR 6 CO -0.02 -2.55 0.33 1.14 -1.57 0.00 0.00 175.55 172.88 1xpv s GLN 7 N -0.66 1.16 -0.23 -0.62 -2.07 -0.21 -3.70 119.66 113.33 1xpv s GLN 7 Ca 0.57 -1.05 -0.04 0.00 -1.82 0.00 0.00 55.36 53.02 1xpv s GLN 7 Cb -0.42 0.41 0.12 0.00 -1.09 0.00 0.00 33.01 32.03 1xpv s GLN 7 CO 0.46 -0.44 0.39 0.50 -1.32 0.00 0.00 175.29 174.88 1xpv s ARG 8 N -3.92 0.34 0.33 9.60 3.52 -1.26 -3.09 118.95 124.47 1xpv s ARG 8 Ca 0.13 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 1xpv s ARG 8 Cb 0.03 -0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.20 1xpv s ARG 8 CO -0.03 -0.52 0.00 -3.47 -0.81 0.00 0.00 175.30 170.47 1xpv n ASP 9 N 5.37 -6.23 -4.56 -2.12 2.03 -1.26 -4.15 116.55 105.64 1xpv n ASP 9 Ca -0.05 0.69 -0.32 0.00 0.52 0.00 0.00 54.79 55.63 1xpv n ASP 9 Cb 0.50 -3.72 -0.04 0.00 -0.72 0.00 0.00 41.12 37.14 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xpv s ASP 10 N -5.91 5.46 0.30 1.67 -1.08 -1.26 -4.93 116.67 110.91 1xpv s ASP 10 Ca 0.00 -0.59 0.08 0.00 -0.52 0.00 0.00 52.55 51.53 1xpv s ASP 10 Cb 0.00 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.86 1xpv s ASP 10 CO 0.00 -2.41 0.10 0.00 0.52 0.00 0.00 175.17 173.39 1xpv h HIS 12 N 1.65 -0.06 -1.17 0.00 2.76 -1.95 -1.32 115.15 115.06 1xpv h HIS 12 Ca -0.45 -0.00 0.35 0.00 -2.20 0.00 0.00 60.37 58.07 1xpv h HIS 12 Cb 1.25 0.02 -0.11 0.00 1.55 0.00 0.00 27.41 30.12 1xpv h HIS 12 CO 0.63 0.46 0.75 1.25 -1.30 0.00 0.00 177.93 179.72 1xpv h LEU 13 N -0.96 0.35 0.00 0.26 5.85 -1.99 0.89 115.31 119.71 1xpv h LEU 13 Ca -0.01 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1xpv h LEU 13 Cb 0.54 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.65 1xpv h LEU 13 CO 0.01 -0.05 -0.33 0.00 -0.34 0.00 0.00 178.44 177.74 1xpv h ASP 15 N -0.44 -0.55 -0.32 0.00 3.58 0.17 0.80 116.42 119.66 1xpv h ASP 15 Ca -0.04 0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1xpv h ASP 15 Cb 1.09 0.32 -0.02 0.00 1.72 0.00 0.00 39.33 42.44 1xpv h ASP 15 CO 0.06 -0.19 0.21 1.56 -2.88 0.00 0.00 179.24 178.00 1xpv h GLN 16 N -0.08 0.36 0.04 0.28 4.20 -0.06 0.46 115.11 120.31 1xpv h GLN 16 Ca 0.20 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1xpv h GLN 16 Cb 0.38 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1xpv h GLN 16 CO -0.46 0.24 -0.02 0.00 -0.67 0.00 0.00 178.83 177.92 1xpv h ALA 17 N 1.81 -0.05 -0.53 3.87 0.00 0.03 -2.20 119.26 122.19 1xpv h ALA 17 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xpv h ALA 17 Cb 0.05 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1xpv h ALA 17 CO -0.03 -0.25 0.31 0.28 0.00 0.00 0.00 179.25 179.56 1xpv h VAL 18 N -0.61 1.16 0.04 0.00 2.07 0.99 -1.28 116.25 118.62 1xpv h VAL 18 Ca -0.01 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1xpv h VAL 18 Cb 0.55 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1xpv h VAL 18 CO 0.01 0.17 -0.02 -0.08 0.02 0.00 0.00 177.57 177.66 1xpv h GLU 19 N 0.73 -0.06 -0.77 1.57 4.22 -0.03 0.20 114.58 120.43 1xpv h GLU 19 Ca 0.19 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.64 1xpv h GLU 19 Cb -0.01 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1xpv h GLU 19 CO -0.03 -0.04 0.51 0.00 -2.18 0.00 0.00 179.01 177.27 1xpv h ALA 20 N 0.90 1.45 0.69 2.92 0.00 -0.84 0.33 119.26 124.71 1xpv h ALA 20 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xpv h ALA 20 Cb 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1xpv h ALA 20 CO 0.01 0.51 -0.33 -0.07 0.00 0.00 0.00 179.25 179.36 1xpv h LEU 21 N 1.04 -0.79 -0.49 0.00 3.38 -0.58 0.24 115.31 118.12 1xpv h LEU 21 Ca 0.29 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1xpv h LEU 21 Cb -0.11 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1xpv h LEU 21 CO -0.06 -0.49 0.15 0.00 0.09 0.00 0.00 178.44 178.12 1xpv h ALA 22 N -0.82 0.58 -0.27 1.53 0.00 -0.29 0.96 119.26 120.95 1xpv h ALA 22 Ca -0.10 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xpv h ALA 22 Cb 0.74 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1xpv h ALA 22 CO 0.16 -0.25 -0.02 1.96 0.00 0.00 0.00 179.25 181.10 1xpv h GLN 23 N 0.31 0.06 0.00 0.00 4.20 -0.21 0.41 115.11 119.88 1xpv h GLN 23 Ca 0.24 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1xpv h GLN 23 Cb 0.28 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1xpv h GLN 23 CO -0.27 0.04 0.00 0.00 -0.67 0.00 0.00 178.83 177.93 1xpv n ALA 24 N -2.43 1.50 -3.66 3.87 0.00 0.85 -4.84 120.51 115.80 1xpv n ALA 24 Ca -0.01 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.15 1xpv n ALA 24 Cb 0.15 -1.19 0.07 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.54 -7.55 -0.00 0.00 5.12 0.14 -4.81 116.66 108.01 1xpv n ARG 25 Ca 0.03 0.79 -0.12 0.00 -1.93 0.00 0.00 57.85 56.62 1xpv n ARG 25 Cb 0.13 -5.82 -0.08 0.00 -1.16 0.00 0.00 32.46 25.54 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 -0.80 0.00 7.54 0.00 -1.61 -3.49 119.26 121.92 1xpv h ALA 26 Ca -0.57 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1xpv h ALA 26 Cb 1.37 0.90 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1xpv h ALA 26 CO 0.58 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 179.30 1xpv n GLY 27 N -1.33 0.40 3.95 0.00 0.00 -1.26 -5.08 105.19 101.87 1xpv n GLY 27 Ca -0.05 -1.32 -0.24 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 -1.23 3.95 0.22 4.61 0.00 -1.26 -5.00 121.76 123.03 1xpv s ALA 28 Ca 0.00 -1.13 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 1xpv s ALA 28 Cb 0.00 -1.75 0.07 0.00 0.00 0.00 0.00 23.12 21.44 1xpv s ALA 28 CO 0.00 0.40 0.90 1.97 0.00 0.00 0.00 175.76 179.03 1xpv n PHE 29 N -0.96 -1.54 -3.97 0.00 1.16 -1.26 -4.10 117.46 106.79 1xpv n PHE 29 Ca -0.08 -1.31 -0.35 0.00 -1.87 0.00 0.00 57.45 53.83 1xpv n PHE 29 Cb 0.55 0.64 -0.08 0.00 -1.61 0.00 0.00 39.48 38.99 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 -2.47 3.38 -0.19 2.97 0.08 -0.31 -4.87 117.98 116.58 1xpv s PHE 30 Ca 0.20 0.29 -0.11 0.00 0.12 0.00 0.00 56.93 57.43 1xpv s PHE 30 Cb -0.03 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 1xpv s PHE 30 CO 0.07 0.42 0.18 -1.12 -0.10 0.00 0.00 175.22 174.67 1xpv s SER 31 N -0.29 6.27 -0.05 1.36 0.01 -1.26 -3.19 113.70 116.54 1xpv s SER 31 Ca 0.10 0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.72 1xpv s SER 31 Cb -0.12 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1xpv s SER 31 CO 0.01 0.15 -0.23 -0.69 0.41 0.00 0.00 173.24 172.90 1xpv s VAL 32 N 0.42 2.30 -0.25 3.43 1.01 -1.25 -5.02 120.40 121.05 1xpv s VAL 32 Ca 0.10 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1xpv s VAL 32 Cb -0.12 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1xpv s VAL 32 CO -0.00 0.57 0.16 -0.36 0.00 0.00 0.00 175.10 175.47 1xpv s PHE 33 N -0.33 3.28 -0.76 5.22 0.08 -1.26 -1.05 117.98 123.17 1xpv s PHE 33 Ca 0.02 0.16 0.26 0.00 0.12 0.00 0.00 56.93 57.48 1xpv s PHE 33 Cb -0.12 -2.28 0.91 0.00 -0.57 0.00 0.00 43.02 40.96 1xpv s PHE 33 CO 0.02 0.00 1.78 0.44 -0.10 0.00 0.00 175.22 177.36 1xpv n ILE 34 N 4.44 0.54 -1.73 0.64 -5.35 -1.18 -4.70 119.36 112.03 1xpv n ILE 34 Ca -0.15 -0.11 -0.40 0.00 -0.27 0.00 0.00 62.75 61.82 1xpv n ILE 34 Cb 0.52 -0.69 0.02 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.07 2.85 0.00 7.28 5.75 -1.26 -2.37 116.55 126.73 1xpv n ASP 35 Ca 0.05 1.08 0.00 0.00 -0.01 0.00 0.00 54.79 55.91 1xpv n ASP 35 Cb 0.36 -1.56 0.00 0.00 -1.03 0.00 0.00 41.12 38.90 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1xpv n ASP 36 N -0.24 0.00 -4.57 -1.12 2.03 -1.26 -4.83 116.55 106.56 1xpv n ASP 36 Ca 0.07 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.12 1xpv n ASP 36 Cb 0.42 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.76 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1xpv s ASP 37 N 0.00 4.92 0.27 1.67 1.01 -1.00 -4.73 116.67 118.81 1xpv s ASP 37 Ca 0.00 -1.16 -0.01 0.00 0.71 0.00 0.00 52.55 52.09 1xpv s ASP 37 Cb 0.00 -2.58 0.49 0.00 1.01 0.00 0.00 42.92 41.84 1xpv s ASP 37 CO 0.00 -3.09 1.84 0.00 0.21 0.00 0.00 175.17 174.12 1xpv h ALA 38 N 10.58 1.40 -0.54 5.23 0.00 -1.88 0.21 119.26 134.27 1xpv h ALA 38 Ca 0.15 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1xpv h ALA 38 Cb 0.97 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1xpv h ALA 38 CO 1.20 0.23 0.11 0.00 0.00 0.00 0.00 179.25 180.78 1xpv h ALA 39 N 1.50 0.61 -0.04 0.00 0.00 -1.91 1.01 119.26 120.43 1xpv h ALA 39 Ca 0.46 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.37 1xpv h ALA 39 Cb 0.41 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xpv h ALA 39 CO -0.25 -0.30 -0.50 -0.07 0.00 0.00 0.00 179.25 178.13 1xpv h LEU 40 N 0.25 0.12 -0.03 0.00 3.38 -1.35 0.33 115.31 118.00 1xpv h LEU 40 Ca 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1xpv h LEU 40 Cb 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xpv h LEU 40 CO -0.35 0.60 -0.01 -0.33 0.09 0.00 0.00 178.44 178.44 1xpv h GLU 41 N 0.09 0.07 0.00 1.13 5.08 0.24 0.39 114.58 121.58 1xpv h GLU 41 Ca 0.00 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1xpv h GLU 41 Cb 0.92 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1xpv h GLU 41 CO 0.07 0.41 -0.60 1.03 -1.00 0.00 0.00 179.01 178.92 1xpv h SER 42 N -0.28 0.00 -0.16 1.42 0.87 0.96 1.49 113.55 117.85 1xpv h SER 42 Ca 0.01 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 1xpv h SER 42 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1xpv h SER 42 CO 0.00 0.60 -0.34 0.00 -0.53 0.00 0.00 176.83 176.56 1xpv h ALA 43 N 1.40 0.26 0.00 6.23 0.00 -0.23 -3.42 119.26 123.50 1xpv h ALA 43 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xpv h ALA 43 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xpv h ALA 43 CO 0.08 0.32 -0.12 0.66 0.00 0.00 0.00 179.25 180.18 1xpv n TYR 44 N -4.33 0.00 0.00 0.00 4.01 0.14 -4.91 117.16 112.07 1xpv n TYR 44 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1xpv n TYR 44 Cb 0.50 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 2.34 0.25 0.10 2.72 0.00 0.51 -0.55 105.19 110.55 1xpv n GLY 45 Ca -0.02 0.67 -0.03 0.00 0.00 0.00 0.00 46.02 46.64 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 -3.26 0.99 7.12 -1.93 -3.17 115.31 115.05 1xpv h LEU 46 Ca 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.71 1xpv h LEU 46 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 39.98 1xpv h LEU 46 CO 0.00 0.77 0.39 0.54 -0.13 0.00 0.00 178.44 180.01 1xpv n ARG 47 N -3.38 1.74 -0.12 1.25 3.00 0.29 -4.47 116.66 114.97 1xpv n ARG 47 Ca 0.00 -1.59 -0.05 0.00 -0.01 0.00 0.00 57.85 56.21 1xpv n ARG 47 Cb 0.81 -1.62 0.03 0.00 0.00 0.00 0.00 32.46 31.68 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 0.76 0.80 0.00 1.55 2.07 -1.76 -3.12 116.25 116.56 1xpv h VAL 48 Ca 0.31 -0.07 -0.64 0.00 0.82 0.00 0.00 66.70 67.12 1xpv h VAL 48 Cb 1.41 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1xpv h VAL 48 CO 0.69 0.04 2.80 -0.81 0.02 0.00 0.00 177.57 180.30 1xpv n PRO 49 N -5.09 2.28 -4.68 1.57 -0.04 -1.24 -3.77 135.00 124.02 1xpv n PRO 49 Ca 0.02 -2.10 -0.33 0.00 -0.04 0.00 0.00 63.50 61.05 1xpv n PRO 49 Cb 0.18 -2.98 -0.13 0.00 -0.04 0.00 0.00 33.50 30.53 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 3.87 3.43 -0.22 0.52 1.01 -1.18 -4.09 120.40 123.74 1xpv s VAL 50 Ca 0.53 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 1xpv s VAL 50 Cb 0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1xpv s VAL 50 CO 0.01 0.56 0.03 -0.76 0.00 0.00 0.00 175.10 174.93 1xpv s LEU 51 N -0.23 3.33 0.01 3.92 1.43 -1.22 -2.58 118.68 123.35 1xpv s LEU 51 Ca 0.02 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1xpv s LEU 51 Cb -0.13 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1xpv s LEU 51 CO 0.03 0.02 -0.13 0.00 0.23 0.00 0.00 176.35 176.51 1xpv s ARG 52 N 1.25 0.92 0.32 1.70 1.70 -0.57 -0.17 118.95 124.10 1xpv s ARG 52 Ca 0.04 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 54.75 1xpv s ARG 52 Cb -0.15 -0.90 -0.06 0.00 -0.57 0.00 0.00 34.95 33.28 1xpv s ARG 52 CO 0.02 0.23 0.08 0.34 -1.08 0.00 0.00 175.30 174.89 1xpv s ASP 53 N -0.72 2.15 -0.08 -2.89 -1.08 0.10 -1.49 116.67 112.66 1xpv s ASP 53 Ca 0.03 -1.42 -0.25 0.00 -0.52 0.00 0.00 52.55 50.38 1xpv s ASP 53 Cb -0.06 0.05 -0.21 0.00 -1.46 0.00 0.00 42.92 41.23 1xpv s ASP 53 CO 0.00 -0.68 0.94 1.55 0.52 0.00 0.00 175.17 177.51 1xpv h PRO 54 N 2.13 -0.04 0.00 4.34 0.13 -1.84 -3.33 132.00 133.40 1xpv h PRO 54 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1xpv h PRO 54 Cb 1.25 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xpv h PRO 54 CO 0.66 0.64 -1.15 0.00 -0.23 0.00 0.00 178.00 177.92 1xpv n MET 55 N -4.76 1.29 0.07 0.86 0.00 -1.26 -4.56 117.12 108.76 1xpv n MET 55 Ca -0.09 -0.02 0.11 0.00 0.00 0.00 0.00 57.70 57.70 1xpv n MET 55 Cb 0.34 -1.07 0.44 0.00 0.00 0.00 0.00 33.22 32.93 1xpv n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xpv n GLY 56 N 2.51 -1.28 7.00 3.17 0.00 -1.26 -4.78 105.19 110.55 1xpv n GLY 56 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xpv n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpv n ARG 57 N -1.90 0.00 -4.27 1.61 1.74 -1.25 -4.83 116.66 107.77 1xpv n ARG 57 Ca 0.04 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.85 1xpv n ARG 57 Cb 0.26 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.60 1xpv n ARG 57 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1xpv s GLU 58 N 0.00 2.12 0.07 5.56 1.03 -1.26 0.02 118.70 126.25 1xpv s GLU 58 Ca 0.00 -1.20 0.09 0.00 0.03 0.00 0.00 54.97 53.88 1xpv s GLU 58 Cb 0.00 -2.21 -0.03 0.00 -0.80 0.00 0.00 34.13 31.09 1xpv s GLU 58 CO 0.00 0.45 -0.23 -1.17 -1.33 0.00 0.00 175.26 172.98 1xpv s LEU 59 N -2.74 2.23 0.97 1.83 2.96 0.76 -4.97 118.68 119.72 1xpv s LEU 59 Ca 0.25 -0.62 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 1xpv s LEU 59 Cb -0.09 -1.06 0.05 0.00 0.50 0.00 0.00 46.19 45.59 1xpv s LEU 59 CO 0.15 0.16 0.36 -0.67 -1.32 0.00 0.00 176.35 175.03 1xpv n ASP 60 N 1.46 -2.11 0.05 3.68 2.03 -1.26 -3.45 116.55 116.95 1xpv n ASP 60 Ca -0.18 0.27 -0.13 0.00 0.52 0.00 0.00 54.79 55.27 1xpv n ASP 60 Cb 0.53 -1.18 -0.09 0.00 -0.72 0.00 0.00 41.12 39.67 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 -1.63 -0.14 -2.99 -0.67 -0.00 -1.96 -3.42 115.95 105.14 1xpv h TRP 61 Ca -0.45 -0.00 -0.57 0.00 -0.00 0.00 0.00 58.89 57.87 1xpv h TRP 61 Cb 1.29 0.05 -0.04 0.00 -0.00 0.00 0.00 29.16 30.45 1xpv h TRP 61 CO 0.36 0.22 0.95 -1.25 -0.00 0.00 0.00 178.44 178.72 1xpv s PRO 62 N -4.65 4.07 0.34 2.65 0.04 -1.26 -4.94 135.00 131.24 1xpv s PRO 62 Ca -0.15 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 1xpv s PRO 62 Cb 0.02 -3.83 0.04 0.00 0.04 0.00 0.00 34.50 30.77 1xpv s PRO 62 CO 0.62 -0.92 0.75 -0.59 0.04 0.00 0.00 177.00 176.90 1xpv s PHE 63 N 3.98 0.03 0.22 0.56 -0.12 -1.26 -5.11 117.98 116.29 1xpv s PHE 63 Ca 0.57 -0.61 0.01 0.00 -0.05 0.00 0.00 56.93 56.85 1xpv s PHE 63 Cb -0.20 0.75 0.01 0.00 -0.63 0.00 0.00 43.02 42.96 1xpv s PHE 63 CO 0.19 -1.43 0.10 -0.25 -0.05 0.00 0.00 175.22 173.79 1xpv n ASP 64 N -1.03 2.08 -0.05 1.98 8.00 -1.26 -4.95 116.55 121.31 1xpv n ASP 64 Ca -0.06 -1.85 -0.14 0.00 0.71 0.00 0.00 54.79 53.44 1xpv n ASP 64 Cb 0.60 0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.87 0.00 0.00 2.24 0.00 -1.97 -0.84 119.26 119.57 1xpv h ALA 65 Ca -0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1xpv h ALA 65 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xpv h ALA 65 CO 0.26 -0.04 -0.20 -1.00 0.00 0.00 0.00 179.25 178.26 1xpv h PRO 66 N -0.77 0.00 0.07 0.00 0.13 -1.95 -0.61 132.00 128.87 1xpv h PRO 66 Ca -0.01 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.86 1xpv h PRO 66 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1xpv h PRO 66 CO 0.01 0.20 -1.26 -0.09 -0.23 0.00 0.00 178.00 176.63 1xpv h ARG 67 N 0.00 0.15 0.14 0.86 2.43 -1.96 -1.34 114.38 114.68 1xpv h ARG 67 Ca -0.00 -0.26 -0.29 0.00 -0.81 0.00 0.00 59.98 58.62 1xpv h ARG 67 Cb 0.90 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1xpv h ARG 67 CO 0.03 1.07 -1.27 1.25 -1.51 0.00 0.00 179.97 179.54 1xpv h LEU 68 N 0.04 0.58 -0.06 3.80 5.85 -1.04 -2.82 115.31 121.66 1xpv h LEU 68 Ca -0.13 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 57.96 1xpv h LEU 68 Cb 1.92 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.76 1xpv h LEU 68 CO 0.16 1.45 -0.11 -0.09 -0.34 0.00 0.00 178.44 179.50 1xpv h ARG 69 N 0.13 0.18 -0.58 1.25 1.12 -1.19 -1.64 114.38 113.64 1xpv h ARG 69 Ca -0.16 -0.12 0.09 0.00 -1.11 0.00 0.00 59.98 58.68 1xpv h ARG 69 Cb 1.97 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 31.91 1xpv h ARG 69 CO 0.22 0.70 0.39 0.00 -3.11 0.00 0.00 179.97 178.17 1xpv h ALA 70 N 0.48 1.97 -0.34 2.80 0.00 -1.34 0.19 119.26 123.02 1xpv h ALA 70 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1xpv h ALA 70 Cb 0.69 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xpv h ALA 70 CO 0.03 -0.09 -0.41 2.35 0.00 0.00 0.00 179.25 181.13 1xpv h TRP 71 N 0.44 1.06 -0.21 0.00 7.01 -1.38 0.42 115.95 123.29 1xpv h TRP 71 Ca 0.26 -0.34 0.01 0.00 2.11 0.00 0.00 58.89 60.94 1xpv h TRP 71 Cb 0.47 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1xpv h TRP 71 CO -0.00 1.15 0.11 -0.07 -2.79 0.00 0.00 178.44 176.84 1xpv h LEU 72 N 0.67 0.18 -0.69 0.65 3.38 0.26 -2.11 115.31 117.64 1xpv h LEU 72 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1xpv h LEU 72 Cb 1.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1xpv h LEU 72 CO 0.10 0.13 -0.35 0.44 0.09 0.00 0.00 178.44 178.85 1xpv h ASP 73 N 0.24 0.64 -0.81 -0.43 3.32 -0.80 -2.53 116.42 116.06 1xpv h ASP 73 Ca 0.08 -0.27 0.23 0.00 0.02 0.00 0.00 57.03 57.10 1xpv h ASP 73 Cb 0.01 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1xpv h ASP 73 CO -0.05 0.94 0.88 0.00 -1.72 0.00 0.00 179.24 179.29 1xpv h ALA 74 N 1.10 2.64 -2.15 3.45 0.00 0.55 -3.42 119.26 121.43 1xpv h ALA 74 Ca 0.05 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.34 1xpv h ALA 74 Cb 0.85 0.06 0.18 0.00 0.00 0.00 0.00 17.79 18.88 1xpv h ALA 74 CO 0.07 -1.29 -0.93 0.00 0.00 0.00 0.00 179.25 177.10 1xpv n ALA 75 N -2.33 -2.51 -1.52 0.00 0.00 -0.96 -4.93 120.51 108.26 1xpv n ALA 75 Ca 0.17 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 1xpv n ALA 75 Cb 1.15 -1.53 0.19 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.32 0.12 -0.10 0.00 0.04 -1.26 -5.05 135.00 127.43 1xpv s PRO 76 Ca 0.60 -0.10 -0.07 0.00 0.04 0.00 0.00 61.00 61.47 1xpv s PRO 76 Cb -0.48 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1xpv s PRO 76 CO 0.63 -2.82 -0.14 0.72 0.04 0.00 0.00 177.00 175.43 1xpv n HIS 77 N -4.12 0.49 0.00 0.56 8.25 -1.26 -5.09 115.22 114.05 1xpv n HIS 77 Ca 0.12 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1xpv n HIS 77 Cb 0.59 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98