#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 1.63 0.58 3.17 0.00 -1.26 -5.08 121.76 120.79 1xpv s ALA 2 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 51.96 50.03 1xpv s ALA 2 Cb 0.00 1.42 0.10 0.00 0.00 0.00 0.00 23.12 24.64 1xpv s ALA 2 CO 0.00 -0.68 0.71 1.28 0.00 0.00 0.00 175.76 177.08 1xpv n LEU 3 N -0.58 0.00 -3.62 0.00 4.77 -1.26 -4.05 117.00 112.25 1xpv n LEU 3 Ca 0.06 -1.74 -0.06 0.00 -0.03 0.00 0.00 56.01 54.24 1xpv n LEU 3 Cb 0.63 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1xpv n LEU 3 CO 0.32 -0.80 0.11 -0.89 -1.33 0.00 0.00 177.39 174.80 1xpv s THR 4 N -2.12 -0.78 -0.34 -5.08 2.01 -0.95 -3.39 115.64 104.99 1xpv s THR 4 Ca 0.50 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1xpv s THR 4 Cb -0.03 -0.80 0.09 0.00 0.01 0.00 0.00 72.50 71.77 1xpv s THR 4 CO 0.32 0.04 0.06 -0.22 -0.69 0.00 0.00 174.62 174.13 1xpv s LEU 5 N 2.72 4.60 0.26 4.42 2.96 -1.23 -1.47 118.68 130.94 1xpv s LEU 5 Ca -0.02 -1.91 -0.30 0.00 -0.22 0.00 0.00 54.13 51.68 1xpv s LEU 5 Cb -0.12 -1.68 -0.10 0.00 0.50 0.00 0.00 46.19 44.78 1xpv s LEU 5 CO -0.15 -0.38 1.48 -0.31 -1.32 0.00 0.00 176.35 175.67 1xpv s TYR 6 N 1.03 2.94 0.20 5.38 2.02 -1.12 -3.95 117.35 123.85 1xpv s TYR 6 Ca 0.05 0.96 -0.04 0.00 -0.37 0.00 0.00 57.07 57.67 1xpv s TYR 6 Cb -0.20 -3.89 -0.03 0.00 -0.40 0.00 0.00 41.96 37.44 1xpv s TYR 6 CO -0.06 -2.93 0.21 1.14 -1.57 0.00 0.00 175.55 172.35 1xpv s GLN 7 N -0.44 1.25 -0.18 -0.62 -2.07 -0.24 -3.73 119.66 113.62 1xpv s GLN 7 Ca 0.60 -1.49 -0.04 0.00 -1.82 0.00 0.00 55.36 52.61 1xpv s GLN 7 Cb -0.44 0.32 0.09 0.00 -1.09 0.00 0.00 33.01 31.89 1xpv s GLN 7 CO 0.45 -0.44 0.27 -0.98 -1.32 0.00 0.00 175.29 173.27 1xpv s ARG 8 N -4.10 0.20 -1.60 9.60 1.04 -1.26 -2.22 118.95 120.62 1xpv s ARG 8 Ca 0.32 0.52 -0.16 0.00 -1.04 0.00 0.00 55.73 55.37 1xpv s ARG 8 Cb 0.05 -0.53 0.13 0.00 -2.04 0.00 0.00 34.95 32.56 1xpv s ARG 8 CO 0.09 -0.48 0.80 -0.25 -0.04 0.00 0.00 175.30 175.42 1xpv n ASP 9 N 5.34 -3.79 -3.19 -2.89 9.92 -1.26 -2.85 116.55 117.83 1xpv n ASP 9 Ca -0.05 -0.86 -0.10 0.00 -0.53 0.00 0.00 54.79 53.25 1xpv n ASP 9 Cb 0.50 -3.08 0.01 0.00 -0.64 0.00 0.00 41.12 37.91 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 -2.64 -6.57 -4.72 -2.24 -0.08 -1.26 -4.84 116.55 94.20 1xpv n ASP 10 Ca 0.06 0.40 -0.42 0.00 -1.51 0.00 0.00 54.79 53.33 1xpv n ASP 10 Cb 0.50 -2.30 -0.04 0.00 2.34 0.00 0.00 41.12 41.63 1xpv n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xpv h HIS 12 N 6.04 0.16 -0.24 0.00 2.76 -1.92 1.44 115.15 123.39 1xpv h HIS 12 Ca -0.43 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 57.61 1xpv h HIS 12 Cb 1.21 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.13 1xpv h HIS 12 CO 0.65 -0.02 -0.38 1.25 -1.30 0.00 0.00 177.93 178.14 1xpv h LEU 13 N 0.07 0.76 -0.86 0.26 6.46 -2.00 -2.97 115.31 117.02 1xpv h LEU 13 Ca 0.67 -0.52 0.15 0.00 -0.12 0.00 0.00 57.88 58.07 1xpv h LEU 13 Cb 2.48 -0.22 -0.10 0.00 -0.73 0.00 0.00 40.66 42.10 1xpv h LEU 13 CO -0.10 1.13 0.45 0.00 -0.62 0.00 0.00 178.44 179.30 1xpv h ASP 15 N 0.62 -0.25 0.13 0.00 1.82 -1.22 0.58 116.42 118.11 1xpv h ASP 15 Ca 0.48 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 57.21 1xpv h ASP 15 Cb 0.69 0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.92 1xpv h ASP 15 CO -0.37 -0.08 -0.12 1.56 -1.61 0.00 0.00 179.24 178.61 1xpv h GLN 16 N 0.09 0.00 -0.11 0.28 4.20 -0.70 -0.54 115.11 118.33 1xpv h GLN 16 Ca 0.24 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 1xpv h GLN 16 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1xpv h GLN 16 CO -0.41 0.12 -0.30 0.00 -0.67 0.00 0.00 178.83 177.57 1xpv h ALA 17 N 1.88 0.19 -0.47 3.87 0.00 0.11 -2.88 119.26 121.95 1xpv h ALA 17 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1xpv h ALA 17 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xpv h ALA 17 CO 0.02 0.21 0.24 0.28 0.00 0.00 0.00 179.25 180.00 1xpv h VAL 18 N -0.03 1.15 -0.40 0.00 2.07 0.55 -1.98 116.25 117.62 1xpv h VAL 18 Ca -0.01 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1xpv h VAL 18 Cb 0.91 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1xpv h VAL 18 CO 0.06 0.17 0.22 -0.08 0.02 0.00 0.00 177.57 177.97 1xpv h GLU 19 N 0.65 0.44 -0.88 1.57 4.22 -1.02 0.96 114.58 120.52 1xpv h GLU 19 Ca 0.17 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 1xpv h GLU 19 Cb 0.04 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1xpv h GLU 19 CO -0.03 0.29 0.54 0.00 -2.18 0.00 0.00 179.01 177.63 1xpv h ALA 20 N 1.19 1.28 0.60 2.92 0.00 -1.16 0.27 119.26 124.35 1xpv h ALA 20 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xpv h ALA 20 Cb 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xpv h ALA 20 CO -0.09 0.62 -0.29 -0.07 0.00 0.00 0.00 179.25 179.43 1xpv h LEU 21 N 1.22 -0.68 -0.53 0.00 3.38 -0.72 0.29 115.31 118.27 1xpv h LEU 21 Ca 0.32 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.36 1xpv h LEU 21 Cb -0.06 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1xpv h LEU 21 CO -0.06 -0.44 0.20 0.00 0.09 0.00 0.00 178.44 178.23 1xpv h ALA 22 N -0.51 0.66 -0.52 1.53 0.00 -0.54 0.19 119.26 120.06 1xpv h ALA 22 Ca -0.08 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xpv h ALA 22 Cb 0.64 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1xpv h ALA 22 CO 0.13 -0.20 0.26 1.96 0.00 0.00 0.00 179.25 181.41 1xpv h GLN 23 N 0.38 0.49 0.00 0.00 4.20 -0.24 0.31 115.11 120.26 1xpv h GLN 23 Ca 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1xpv h GLN 23 Cb 0.28 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1xpv h GLN 23 CO -0.25 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 1xpv n ALA 24 N -2.34 1.75 -3.47 3.87 0.00 0.10 -4.86 120.51 115.56 1xpv n ALA 24 Ca 0.05 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 1xpv n ALA 24 Cb 0.14 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.60 -7.27 0.08 0.00 5.12 0.11 -4.84 116.66 108.25 1xpv n ARG 25 Ca 0.04 0.83 -0.09 0.00 -1.93 0.00 0.00 57.85 56.70 1xpv n ARG 25 Cb 0.20 -5.79 -0.05 0.00 -1.16 0.00 0.00 32.46 25.65 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 0.99 -0.82 0.00 7.54 0.00 -1.58 -3.49 119.26 121.91 1xpv h ALA 26 Ca -0.55 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1xpv h ALA 26 Cb 1.36 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1xpv h ALA 26 CO 0.55 -0.88 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1xpv n GLY 27 N -1.26 0.44 3.94 0.00 0.00 -1.26 -5.10 105.19 101.94 1xpv n GLY 27 Ca -0.05 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.00 3.91 0.35 4.61 0.00 -1.26 -4.97 121.76 123.40 1xpv s ALA 28 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 1xpv s ALA 28 Cb 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.27 1xpv s ALA 28 CO 0.00 0.50 0.63 -0.59 0.00 0.00 0.00 175.76 176.30 1xpv s PHE 29 N -1.79 0.51 -0.12 0.00 -0.12 -1.26 -4.36 117.98 110.83 1xpv s PHE 29 Ca 0.36 -0.96 -0.01 0.00 -0.05 0.00 0.00 56.93 56.27 1xpv s PHE 29 Cb -0.11 0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 1xpv s PHE 29 CO 0.29 -1.32 -0.07 -0.06 -0.05 0.00 0.00 175.22 174.01 1xpv s PHE 30 N -2.87 2.94 -0.40 3.49 0.08 -1.22 -5.01 117.98 115.00 1xpv s PHE 30 Ca 0.22 -0.28 -0.20 0.00 0.12 0.00 0.00 56.93 56.78 1xpv s PHE 30 Cb -0.03 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 1xpv s PHE 30 CO 0.15 0.03 0.63 -1.54 -0.10 0.00 0.00 175.22 174.39 1xpv s SER 31 N 0.01 6.37 -0.16 1.36 1.04 -1.26 -3.49 113.70 117.56 1xpv s SER 31 Ca -0.01 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.27 1xpv s SER 31 Cb -0.14 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 1xpv s SER 31 CO 0.03 -0.68 0.00 -0.69 0.98 0.00 0.00 173.24 172.89 1xpv s VAL 32 N 2.75 4.28 -0.25 5.02 1.01 -1.25 -5.02 120.40 126.93 1xpv s VAL 32 Ca 0.23 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1xpv s VAL 32 Cb -0.14 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1xpv s VAL 32 CO 0.17 0.49 0.16 -0.36 0.00 0.00 0.00 175.10 175.56 1xpv s PHE 33 N 0.29 3.27 -0.41 5.22 0.08 -1.26 -1.08 117.98 124.09 1xpv s PHE 33 Ca -0.00 0.15 0.24 0.00 0.12 0.00 0.00 56.93 57.43 1xpv s PHE 33 Cb -0.13 -2.30 0.40 0.00 -0.57 0.00 0.00 43.02 40.42 1xpv s PHE 33 CO 0.02 -0.03 1.63 -0.84 -0.10 0.00 0.00 175.22 175.90 1xpv h ILE 34 N 5.15 0.01 -2.80 0.64 3.07 -1.79 -3.44 117.51 118.34 1xpv h ILE 34 Ca -0.37 -0.98 -0.59 0.00 1.55 0.00 0.00 64.86 64.47 1xpv h ILE 34 Cb 1.18 1.97 0.12 0.00 -0.27 0.00 0.00 36.82 39.82 1xpv h ILE 34 CO 0.62 0.00 0.17 -0.67 -1.05 0.00 0.00 178.15 177.22 1xpv n ASP 35 N -3.10 1.39 0.00 2.16 -0.08 -1.26 -1.36 116.55 114.30 1xpv n ASP 35 Ca 0.04 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.44 1xpv n ASP 35 Cb 0.52 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.65 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1xpv n ASP 36 N 0.89 0.00 -4.56 1.67 2.03 -1.26 -4.89 116.55 110.43 1xpv n ASP 36 Ca 0.09 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.01 1xpv n ASP 36 Cb 0.36 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 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 5.41 0.25 1.67 1.01 -0.46 -4.81 116.67 119.74 1xpv s ASP 37 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.67 1xpv s ASP 37 Cb 0.00 -2.53 0.32 0.00 1.01 0.00 0.00 42.92 41.72 1xpv s ASP 37 CO 0.00 -2.25 1.68 0.00 0.21 0.00 0.00 175.17 174.80 1xpv h ALA 38 N 14.38 1.00 -0.03 5.23 0.00 -1.90 0.44 119.26 138.37 1xpv h ALA 38 Ca -0.27 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.29 1xpv h ALA 38 Cb 1.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xpv h ALA 38 CO 1.20 0.59 -0.08 0.00 0.00 0.00 0.00 179.25 180.96 1xpv h ALA 39 N 1.22 -0.06 -0.56 0.00 0.00 -1.92 0.60 119.26 118.54 1xpv h ALA 39 Ca 0.07 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1xpv h ALA 39 Cb 0.73 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1xpv h ALA 39 CO 0.06 -0.56 -0.08 -0.07 0.00 0.00 0.00 179.25 178.60 1xpv h LEU 40 N -0.13 1.02 -0.59 0.00 3.38 -1.82 0.62 115.31 117.80 1xpv h LEU 40 Ca 0.04 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1xpv h LEU 40 Cb 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1xpv h LEU 40 CO -0.11 1.11 0.36 -0.33 0.09 0.00 0.00 178.44 179.56 1xpv h GLU 41 N 0.92 0.69 0.00 1.13 4.39 -0.24 1.04 114.58 122.51 1xpv h GLU 41 Ca 0.15 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 1xpv h GLU 41 Cb 0.64 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1xpv h GLU 41 CO 0.04 0.46 -0.56 1.03 -1.16 0.00 0.00 179.01 178.82 1xpv h SER 42 N 0.71 0.00 -0.05 1.42 0.87 0.41 1.68 113.55 118.58 1xpv h SER 42 Ca 0.23 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1xpv h SER 42 Cb 0.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1xpv h SER 42 CO -0.10 0.56 -0.37 0.00 -0.53 0.00 0.00 176.83 176.40 1xpv h ALA 43 N 1.44 0.12 0.00 6.23 0.00 0.27 -3.42 119.26 123.89 1xpv h ALA 43 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xpv h ALA 43 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xpv h ALA 43 CO 0.07 0.21 -0.31 0.66 0.00 0.00 0.00 179.25 179.88 1xpv n TYR 44 N -4.39 0.00 0.00 0.00 4.01 0.35 -4.91 117.16 112.22 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 0.53 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 2.33 0.26 0.11 2.72 0.00 0.57 -0.36 105.19 110.82 1xpv n GLY 45 Ca -0.04 0.75 0.01 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 -3.31 0.99 -0.00 -1.94 -3.30 115.31 107.75 1xpv h LEU 46 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 1xpv h LEU 46 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 40.51 1xpv h LEU 46 CO 0.00 0.56 0.40 0.54 -0.00 0.00 0.00 178.44 179.94 1xpv n ARG 47 N -3.01 1.76 -0.17 1.13 1.74 0.52 -4.48 116.66 114.15 1xpv n ARG 47 Ca -0.05 -1.60 -0.02 0.00 -0.77 0.00 0.00 57.85 55.40 1xpv n ARG 47 Cb 0.81 -1.63 0.07 0.00 -1.02 0.00 0.00 32.46 30.69 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 0.80 0.79 -0.30 1.55 2.07 -1.76 -3.21 116.25 116.19 1xpv h VAL 48 Ca 0.31 -0.12 -0.60 0.00 0.82 0.00 0.00 66.70 67.11 1xpv h VAL 48 Cb 1.31 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1xpv h VAL 48 CO 0.71 0.06 2.23 -0.81 0.02 0.00 0.00 177.57 179.78 1xpv n PRO 49 N -5.03 2.26 -4.48 1.57 -0.04 -1.24 -3.98 135.00 124.05 1xpv n PRO 49 Ca 0.06 -2.50 -0.30 0.00 -0.04 0.00 0.00 63.50 60.72 1xpv n PRO 49 Cb 0.23 -3.33 -0.17 0.00 -0.04 0.00 0.00 33.50 30.20 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 5.70 1.66 -0.27 0.52 1.01 -1.21 -4.12 120.40 123.68 1xpv s VAL 50 Ca 0.56 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1xpv s VAL 50 Cb 0.09 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1xpv s VAL 50 CO 0.06 0.47 0.30 -0.22 0.00 0.00 0.00 175.10 175.71 1xpv s LEU 51 N 0.98 4.03 0.12 3.92 0.20 -1.24 -2.79 118.68 123.90 1xpv s LEU 51 Ca -0.06 0.17 0.10 0.00 0.69 0.00 0.00 54.13 55.03 1xpv s LEU 51 Cb -0.15 -2.31 -0.04 0.00 -0.43 0.00 0.00 46.19 43.26 1xpv s LEU 51 CO -0.02 -0.13 -0.20 0.00 -0.29 0.00 0.00 176.35 175.70 1xpv s ARG 52 N 1.95 1.69 0.42 1.98 1.70 -0.54 -0.07 118.95 126.08 1xpv s ARG 52 Ca 0.12 -1.24 0.07 0.00 -0.47 0.00 0.00 55.73 54.22 1xpv s ARG 52 Cb -0.16 -2.05 -0.04 0.00 -0.57 0.00 0.00 34.95 32.13 1xpv s ARG 52 CO 0.10 0.47 0.26 -0.51 -1.08 0.00 0.00 175.30 174.54 1xpv s ASP 53 N -2.17 4.65 0.27 -2.89 1.11 0.29 -2.23 116.67 115.70 1xpv s ASP 53 Ca 0.17 -0.96 0.13 0.00 0.18 0.00 0.00 52.55 52.07 1xpv s ASP 53 Cb -0.10 -0.49 0.29 0.00 1.07 0.00 0.00 42.92 43.69 1xpv s ASP 53 CO 0.09 -0.60 1.55 1.55 1.18 0.00 0.00 175.17 178.95 1xpv h PRO 54 N 1.27 0.00 -0.97 8.23 0.13 -1.86 -3.18 132.00 135.61 1xpv h PRO 54 Ca -0.42 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.77 1xpv h PRO 54 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1xpv h PRO 54 CO 0.65 0.61 0.62 0.52 -0.23 0.00 0.00 178.00 180.18 1xpv h MET 55 N 0.00 1.11 0.00 0.86 2.86 -1.93 -3.46 114.93 114.37 1xpv h MET 55 Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1xpv h MET 55 Cb 1.22 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1xpv h MET 55 CO 0.08 0.74 0.00 0.41 1.06 0.00 0.00 176.91 179.20 1xpv n GLY 56 N -1.36 0.82 3.56 8.32 0.00 -1.20 -5.16 105.19 110.17 1xpv n GLY 56 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1xpv n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xpv s ARG 57 N 0.00 1.45 0.10 1.61 1.70 -1.26 -5.00 118.95 117.55 1xpv s ARG 57 Ca 0.00 -0.99 -0.01 0.00 -0.47 0.00 0.00 55.73 54.26 1xpv s ARG 57 Cb 0.00 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1xpv s ARG 57 CO 0.00 -0.61 0.01 -1.83 -1.08 0.00 0.00 175.30 171.79 1xpv s GLU 58 N -3.92 0.79 0.04 3.89 4.04 -1.26 0.11 118.70 122.39 1xpv s GLU 58 Ca 0.13 -1.34 0.06 0.00 0.04 0.00 0.00 54.97 53.86 1xpv s GLU 58 Cb -0.01 0.21 -0.03 0.00 0.02 0.00 0.00 34.13 34.31 1xpv s GLU 58 CO 0.01 -0.19 -0.12 -1.17 -1.84 0.00 0.00 175.26 171.95 1xpv s LEU 59 N -2.99 2.91 0.44 1.83 2.96 0.91 -4.97 118.68 119.76 1xpv s LEU 59 Ca 0.16 -0.32 -0.25 0.00 -0.22 0.00 0.00 54.13 53.51 1xpv s LEU 59 Cb 0.08 -1.70 -0.09 0.00 0.50 0.00 0.00 46.19 44.98 1xpv s LEU 59 CO -0.03 0.25 1.26 -0.67 -1.32 0.00 0.00 176.35 175.83 1xpv n ASP 60 N 1.34 2.46 -0.17 3.68 -0.08 -1.26 -3.67 116.55 118.84 1xpv n ASP 60 Ca -0.15 1.08 -0.06 0.00 -1.51 0.00 0.00 54.79 54.15 1xpv n ASP 60 Cb 0.52 -1.50 0.00 0.00 2.34 0.00 0.00 41.12 42.49 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 1.93 -0.83 -3.19 -0.67 -0.00 -1.98 -3.35 115.95 107.86 1xpv h TRP 61 Ca -0.48 0.06 -0.57 0.00 -0.00 0.00 0.00 58.89 57.91 1xpv h TRP 61 Cb 1.30 0.44 -0.05 0.00 -0.00 0.00 0.00 29.16 30.85 1xpv h TRP 61 CO 0.47 -0.37 1.03 -1.25 -0.00 0.00 0.00 178.44 178.33 1xpv s PRO 62 N -6.03 3.73 0.05 2.65 0.04 -1.26 -4.94 135.00 129.23 1xpv s PRO 62 Ca -0.14 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.00 1xpv s PRO 62 Cb 0.15 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1xpv s PRO 62 CO 0.69 -1.37 0.08 1.97 0.04 0.00 0.00 177.00 178.41 1xpv n PHE 63 N 8.31 -0.78 -4.21 0.56 1.16 -1.26 -5.12 117.46 116.13 1xpv n PHE 63 Ca 0.16 -0.30 -0.11 0.00 -1.87 0.00 0.00 57.45 55.33 1xpv n PHE 63 Cb 0.47 0.09 -0.03 0.00 -1.61 0.00 0.00 39.48 38.41 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 -1.73 1.09 -0.05 5.98 8.00 -1.26 -4.98 116.55 123.59 1xpv n ASP 64 Ca -0.00 -1.90 -0.14 0.00 0.71 0.00 0.00 54.79 53.46 1xpv n ASP 64 Cb 0.08 0.42 -0.12 0.00 -0.02 0.00 0.00 41.12 41.48 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 1.28 0.00 0.00 2.24 0.00 -1.95 -0.57 119.26 120.26 1xpv h ALA 65 Ca -0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1xpv h ALA 65 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xpv h ALA 65 CO 0.21 -0.07 -0.12 -1.00 0.00 0.00 0.00 179.25 178.28 1xpv h PRO 66 N -0.81 0.00 0.08 0.00 0.13 -1.94 -0.24 132.00 129.22 1xpv h PRO 66 Ca -0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1xpv h PRO 66 Cb 0.85 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1xpv h PRO 66 CO 0.00 0.12 -1.36 -0.09 -0.23 0.00 0.00 178.00 176.44 1xpv h ARG 67 N 0.00 0.16 0.20 0.86 2.43 -1.96 -1.88 114.38 114.19 1xpv h ARG 67 Ca -0.00 -0.27 -0.32 0.00 -0.81 0.00 0.00 59.98 58.58 1xpv h ARG 67 Cb 0.84 0.10 0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1xpv h ARG 67 CO 0.02 1.03 -1.38 1.25 -1.51 0.00 0.00 179.97 179.37 1xpv h LEU 68 N 0.04 0.82 -0.05 3.80 5.85 -0.99 -2.81 115.31 121.97 1xpv h LEU 68 Ca -0.17 -0.83 -0.01 0.00 0.84 0.00 0.00 57.88 57.71 1xpv h LEU 68 Cb 1.94 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.71 1xpv h LEU 68 CO 0.15 1.64 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.78 1xpv h ARG 69 N 0.18 0.11 -0.45 1.25 9.65 -1.15 -0.29 114.38 123.68 1xpv h ARG 69 Ca -0.22 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 58.69 1xpv h ARG 69 Cb 2.07 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.62 1xpv h ARG 69 CO 0.26 0.50 0.31 0.00 2.80 0.00 0.00 179.97 183.84 1xpv h ALA 70 N 0.61 2.10 -0.11 2.80 0.00 -1.45 0.27 119.26 123.48 1xpv h ALA 70 Ca 0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1xpv h ALA 70 Cb 0.47 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xpv h ALA 70 CO 0.01 -0.20 -0.80 2.35 0.00 0.00 0.00 179.25 180.61 1xpv h TRP 71 N 0.25 0.86 -0.43 0.00 7.01 -1.25 -1.88 115.95 120.50 1xpv h TRP 71 Ca 0.21 -0.39 -0.01 0.00 2.11 0.00 0.00 58.89 60.80 1xpv h TRP 71 Cb 0.50 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 1xpv h TRP 71 CO -0.00 1.20 0.24 -0.07 -2.79 0.00 0.00 178.44 177.02 1xpv h LEU 72 N 0.42 0.54 0.00 0.65 3.38 0.12 0.73 115.31 121.15 1xpv h LEU 72 Ca -0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xpv h LEU 72 Cb 1.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1xpv h LEU 72 CO 0.15 0.47 0.00 0.47 0.09 0.00 0.00 178.44 179.62 1xpv n ASP 73 N -4.71 0.00 0.06 -0.43 8.00 0.32 -1.84 116.55 117.95 1xpv n ASP 73 Ca 0.01 0.13 0.11 0.00 0.71 0.00 0.00 54.79 55.75 1xpv n ASP 73 Cb 0.08 -0.35 -0.03 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 -1.35 2.77 0.04 2.24 0.00 0.10 -4.19 120.51 120.12 1xpv n ALA 74 Ca 0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 1xpv n ALA 74 Cb 0.19 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 2.12 -0.25 -3.00 0.00 0.00 -0.37 -3.43 119.26 114.34 1xpv h ALA 75 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 75 Cb 0.94 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xpv h ALA 75 CO 0.00 -0.70 0.00 -0.35 0.00 0.00 0.00 179.25 178.20 1xpv n PRO 76 N -5.35 -0.29 -0.54 0.00 -0.04 -1.26 -4.90 135.00 122.62 1xpv n PRO 76 Ca -0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1xpv n PRO 76 Cb 0.26 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 33.88 1xpv n PRO 76 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xpv n HIS 77 N -1.97 0.00 -0.52 0.54 8.25 -1.26 -5.05 115.22 115.20 1xpv n HIS 77 Ca 0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 57.72 56.27 1xpv n HIS 77 Cb 0.00 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98