#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gff s VAL 3 N 0.00 1.86 0.02 3.57 1.01 -1.16 -0.86 120.40 124.85 2gff s VAL 3 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 2gff s VAL 3 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2gff s VAL 3 CO 0.00 0.45 0.04 0.42 0.00 0.00 0.00 175.10 176.01 2gff s THR 4 N -0.62 0.12 -0.09 3.92 -4.23 0.19 -0.99 115.64 113.93 2gff s THR 4 Ca 0.09 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 2gff s THR 4 Cb -0.09 -0.52 0.02 0.00 1.34 0.00 0.00 72.50 73.25 2gff s THR 4 CO -0.00 -0.53 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.22 2gff s LEU 5 N -1.68 1.50 -0.09 4.79 2.96 -0.19 -0.81 118.68 125.16 2gff s LEU 5 Ca -0.12 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 2gff s LEU 5 Cb -0.06 -0.90 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 2gff s LEU 5 CO -0.02 -0.03 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.06 2gff s VAL 6 N 1.13 2.04 -0.18 1.68 1.01 -0.29 -0.24 120.40 125.56 2gff s VAL 6 Ca -0.05 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 2gff s VAL 6 Cb -0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2gff s VAL 6 CO -0.02 0.56 0.07 -0.70 0.00 0.00 0.00 175.10 175.00 2gff s GLU 7 N 0.29 3.95 -0.09 2.72 2.12 0.73 -0.61 118.70 127.81 2gff s GLU 7 Ca -0.17 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2gff s GLU 7 Cb -0.17 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 31.02 2gff s GLU 7 CO 0.08 0.31 -0.09 0.42 -0.54 0.00 0.00 175.26 175.44 2gff s ILE 8 N 0.26 1.04 -0.25 -3.70 1.01 -0.02 -1.61 121.20 117.93 2gff s ILE 8 Ca 0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 2gff s ILE 8 Cb -0.12 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2gff s ILE 8 CO 0.00 0.35 0.18 0.20 0.00 0.00 0.00 174.94 175.67 2gff s ASN 9 N 1.20 6.09 -0.12 3.58 0.01 -1.26 -0.51 114.94 123.94 2gff s ASN 9 Ca -0.05 0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.16 2gff s ASN 9 Cb -0.14 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 2gff s ASN 9 CO -0.03 0.02 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.89 2gff s VAL 10 N 1.32 4.20 0.26 1.60 1.01 -0.31 -1.48 120.40 127.00 2gff s VAL 10 Ca 0.08 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.48 2gff s VAL 10 Cb -0.14 -2.80 -0.13 0.00 0.00 0.00 0.00 36.38 33.31 2gff s VAL 10 CO 0.07 0.56 1.44 0.29 0.00 0.00 0.00 175.10 177.45 2gff n LYS 11 N 2.72 2.17 -0.29 2.72 5.02 0.45 -4.78 118.16 126.17 2gff n LYS 11 Ca -0.18 0.77 0.11 0.00 -2.02 0.00 0.00 58.31 57.00 2gff n LYS 11 Cb 0.53 -2.45 0.26 0.00 -0.02 0.00 0.00 35.03 33.35 2gff n LYS 11 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2gff h GLU 12 N 4.22 0.16 -0.11 1.97 5.08 -1.96 0.29 114.58 124.23 2gff h GLU 12 Ca -0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2gff h GLU 12 Cb 1.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2gff h GLU 12 CO 0.76 0.11 0.00 -3.47 -1.00 0.00 0.00 179.01 175.40 2gff n ASP 13 N -5.28 1.16 -0.49 1.42 4.64 -1.26 -3.38 116.55 113.36 2gff n ASP 13 Ca 0.20 -1.60 0.06 0.00 -1.38 0.00 0.00 54.79 52.06 2gff n ASP 13 Cb 0.64 -0.07 0.06 0.00 -1.04 0.00 0.00 41.12 40.71 2gff n ASP 13 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2gff n LYS 14 N -0.02 0.79 -0.20 -0.67 4.76 1.00 -4.69 118.16 119.13 2gff n LYS 14 Ca 0.16 -1.27 -0.01 0.00 -2.87 0.00 0.00 58.31 54.32 2gff n LYS 14 Cb 0.25 -1.23 0.10 0.00 -1.84 0.00 0.00 35.03 32.30 2gff n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2gff h VAL 15 N 2.35 0.85 -0.95 -0.18 2.07 -1.52 -0.53 116.25 118.33 2gff h VAL 15 Ca 0.00 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.44 2gff h VAL 15 Cb 0.51 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 2gff h VAL 15 CO 0.00 0.09 0.60 -2.24 0.02 0.00 0.00 177.57 176.04 2gff h ASP 16 N 0.50 0.92 -0.46 0.57 3.04 -1.87 0.53 116.42 119.64 2gff h ASP 16 Ca 0.29 0.03 -0.12 0.00 -3.24 0.00 0.00 57.03 53.99 2gff h ASP 16 Cb 0.29 -0.16 -0.01 0.00 -1.04 0.00 0.00 39.33 38.40 2gff h ASP 16 CO -0.25 0.55 -0.19 1.56 -2.04 0.00 0.00 179.24 178.88 2gff h GLN 17 N 1.03 0.95 -0.53 4.15 4.20 -1.66 -1.49 115.11 121.75 2gff h GLN 17 Ca 0.44 -0.40 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2gff h GLN 17 Cb 0.29 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 2gff h GLN 17 CO -0.21 1.06 0.26 0.35 -0.67 0.00 0.00 178.83 179.62 2gff h PHE 18 N 0.79 0.48 -0.82 2.96 3.57 -0.44 -0.35 116.94 123.13 2gff h PHE 18 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2gff h PHE 18 Cb 0.76 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 2gff h PHE 18 CO 0.05 0.22 0.40 0.82 -2.23 0.00 0.00 178.31 177.57 2gff h ILE 19 N 0.50 1.25 -0.35 1.41 1.08 -0.66 -0.46 117.51 120.29 2gff h ILE 19 Ca 0.24 -0.70 -0.02 0.00 -0.39 0.00 0.00 64.86 63.99 2gff h ILE 19 Cb 0.17 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 2gff h ILE 19 CO -0.18 0.30 0.15 -0.08 -0.69 0.00 0.00 178.15 177.65 2gff h GLU 20 N 1.16 0.52 -0.28 2.37 4.81 -0.68 0.43 114.58 122.90 2gff h GLU 20 Ca 0.28 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2gff h GLU 20 Cb 0.11 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2gff h GLU 20 CO -0.04 0.50 0.11 0.28 -0.73 0.00 0.00 179.01 179.13 2gff h VAL 21 N 0.43 1.18 0.00 0.32 2.07 -0.86 -2.58 116.25 116.80 2gff h VAL 21 Ca 0.12 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 2gff h VAL 21 Cb 0.16 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2gff h VAL 21 CO -0.01 0.19 -0.55 -0.26 0.02 0.00 0.00 177.57 176.96 2gff h PHE 22 N 0.31 0.00 -0.47 1.57 -1.00 -0.89 -1.40 116.94 115.06 2gff h PHE 22 Ca 0.09 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 2gff h PHE 22 Cb 0.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 2gff h PHE 22 CO -0.01 0.55 0.28 -0.09 -1.61 0.00 0.00 178.31 177.43 2gff h ARG 23 N 0.00 0.64 -0.46 1.51 2.43 -0.06 0.54 114.38 118.98 2gff h ARG 23 Ca -0.01 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 2gff h ARG 23 Cb 1.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2gff h ARG 23 CO 0.07 0.47 -0.23 0.00 -1.51 0.00 0.00 179.97 178.77 2gff h ALA 24 N 1.13 0.72 -0.29 2.80 0.00 -1.32 -0.15 119.26 122.14 2gff h ALA 24 Ca 0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2gff h ALA 24 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2gff h ALA 24 CO -0.03 0.67 0.09 -0.97 0.00 0.00 0.00 179.25 179.01 2gff h ASN 25 N 0.82 0.42 0.11 0.00 -0.73 -1.07 -1.63 115.58 113.50 2gff h ASN 25 Ca 0.10 -0.20 0.01 0.00 1.87 0.00 0.00 56.30 58.08 2gff h ASN 25 Cb 0.80 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.26 2gff h ASN 25 CO 0.07 0.51 -0.18 -0.74 -0.37 0.00 0.00 177.43 176.72 2gff h HIS 26 N 0.31 -0.46 -0.32 0.67 2.76 0.22 0.82 115.15 119.15 2gff h HIS 26 Ca 0.09 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 2gff h HIS 26 Cb 0.24 0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.34 2gff h HIS 26 CO 0.00 -0.26 -0.02 1.25 -1.30 0.00 0.00 177.93 177.60 2gff h LEU 27 N -0.35 -0.17 -0.58 0.26 5.85 -0.96 -1.21 115.31 118.15 2gff h LEU 27 Ca 0.02 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 2gff h LEU 27 Cb 0.36 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2gff h LEU 27 CO -0.09 -0.05 -0.13 1.23 -0.34 0.00 0.00 178.44 179.05 2gff h GLY 28 N 0.07 1.08 1.17 3.75 0.00 -1.22 -3.11 103.07 104.81 2gff h GLY 28 Ca 0.16 -0.88 -0.12 0.00 0.00 0.00 0.00 47.33 46.49 2gff h GLY 28 CO -0.28 0.80 -0.17 1.76 0.00 0.00 0.00 176.54 178.66 2gff h SER 29 N 0.88 0.97 0.60 0.19 0.02 -0.46 -2.28 113.55 113.47 2gff h SER 29 Ca 0.13 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2gff h SER 29 Cb 0.69 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2gff h SER 29 CO 0.05 1.12 0.00 2.30 -1.14 0.00 0.00 176.83 179.16 2gff n ILE 30 N -4.13 0.88 1.13 3.27 -5.35 -0.49 -1.23 119.36 113.44 2gff n ILE 30 Ca 0.01 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.83 2gff n ILE 30 Cb 0.43 -0.98 0.33 0.00 -1.74 0.00 0.00 39.64 37.68 2gff n ILE 30 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2gff n ARG 31 N -1.65 1.98 -2.75 6.28 1.74 -0.87 -4.88 116.66 116.51 2gff n ARG 31 Ca 0.04 -1.44 -0.42 0.00 -0.77 0.00 0.00 57.85 55.25 2gff n ARG 31 Cb 0.20 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 2gff n ARG 31 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2gff s GLU 32 N -1.88 4.39 0.43 5.56 2.02 -0.37 -4.96 118.70 123.89 2gff s GLU 32 Ca 0.34 1.27 0.17 0.00 0.02 0.00 0.00 54.97 56.77 2gff s GLU 32 Cb 0.20 -3.55 1.08 0.00 0.10 0.00 0.00 34.13 31.96 2gff s GLU 32 CO 0.31 -0.31 1.91 0.00 0.02 0.00 0.00 175.26 177.18 2gff h ALA 33 N 7.15 2.16 -0.01 5.21 0.00 -1.89 -1.65 119.26 130.23 2gff h ALA 33 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2gff h ALA 33 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2gff h ALA 33 CO 0.85 -0.38 -0.07 0.41 0.00 0.00 0.00 179.25 180.06 2gff n GLY 34 N -1.53 -0.38 3.78 0.00 0.00 -1.26 -4.88 105.19 100.92 2gff n GLY 34 Ca 0.15 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2gff n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gff s ASN 35 N -2.17 7.32 -0.04 1.61 3.84 -0.62 -1.53 114.94 123.35 2gff s ASN 35 Ca 0.35 1.64 0.02 0.00 0.21 0.00 0.00 52.86 55.08 2gff s ASN 35 Cb 0.21 -2.50 -0.04 0.00 -0.55 0.00 0.00 41.25 38.37 2gff s ASN 35 CO 0.40 0.13 -0.00 0.18 -2.79 0.00 0.00 177.10 175.01 2gff n LEU 36 N 1.23 0.92 -3.84 3.21 4.77 0.10 -4.93 117.00 118.46 2gff n LEU 36 Ca -0.04 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 2gff n LEU 36 Cb 0.49 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 2gff n LEU 36 CO 0.45 0.23 -0.18 -0.13 -1.33 0.00 0.00 177.39 176.44 2gff s ARG 37 N -2.08 0.33 -0.40 3.23 3.00 -1.04 -4.92 118.95 117.07 2gff s ARG 37 Ca -0.03 -0.07 0.04 0.00 0.00 0.00 0.00 55.73 55.67 2gff s ARG 37 Cb 0.01 0.15 0.16 0.00 0.00 0.00 0.00 34.95 35.27 2gff s ARG 37 CO 0.12 -0.07 0.42 0.12 0.00 0.00 0.00 175.30 175.89 2gff s PHE 38 N -0.62 -0.21 -0.15 -0.53 5.36 -1.25 -1.56 117.98 119.03 2gff s PHE 38 Ca -0.07 -1.09 -0.06 0.00 -0.96 0.00 0.00 56.93 54.76 2gff s PHE 38 Cb -0.04 -0.40 -0.04 0.00 -0.34 0.00 0.00 43.02 42.20 2gff s PHE 38 CO 0.01 -0.99 0.04 -0.51 -1.46 0.00 0.00 175.22 172.32 2gff s ASP 39 N 1.08 5.53 -0.20 6.13 -0.00 -0.07 -4.97 116.67 124.17 2gff s ASP 39 Ca 0.22 0.12 -0.04 0.00 -0.00 0.00 0.00 52.55 52.85 2gff s ASP 39 Cb -0.10 -1.83 -0.02 0.00 -0.00 0.00 0.00 42.92 40.97 2gff s ASP 39 CO -0.06 0.25 -0.02 -0.69 -0.00 0.00 0.00 175.17 174.65 2gff s VAL 40 N -0.12 3.69 0.32 -1.27 1.01 -1.26 -0.85 120.40 121.92 2gff s VAL 40 Ca 0.06 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2gff s VAL 40 Cb -0.12 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 2gff s VAL 40 CO 0.01 0.43 -0.11 -0.76 0.00 0.00 0.00 175.10 174.68 2gff s LEU 41 N 1.12 2.66 0.05 3.92 1.43 0.11 -4.99 118.68 122.98 2gff s LEU 41 Ca 0.02 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2gff s LEU 41 Cb -0.15 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 2gff s LEU 41 CO 0.00 -0.19 -0.06 0.00 0.23 0.00 0.00 176.35 176.34 2gff s ARG 42 N -3.61 0.53 0.52 1.70 1.04 -1.26 -1.21 118.95 116.65 2gff s ARG 42 Ca 0.31 -0.83 -0.23 0.00 -1.04 0.00 0.00 55.73 53.94 2gff s ARG 42 Cb 0.01 -0.16 -0.06 0.00 -2.04 0.00 0.00 34.95 32.71 2gff s ARG 42 CO 0.15 0.01 1.37 0.34 -0.04 0.00 0.00 175.30 177.13 2gff s ASP 43 N -1.84 5.46 0.30 -2.89 2.15 -0.14 -4.90 116.67 114.80 2gff s ASP 43 Ca -0.07 2.79 -0.01 0.00 0.43 0.00 0.00 52.55 55.69 2gff s ASP 43 Cb -0.07 -2.64 0.48 0.00 -0.30 0.00 0.00 42.92 40.39 2gff s ASP 43 CO -0.01 -1.45 1.94 -0.08 -0.17 0.00 0.00 175.17 175.40 2gff h GLU 44 N 1.71 1.06 0.00 4.34 4.81 -2.01 -3.36 114.58 121.12 2gff h GLU 44 Ca -0.51 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2gff h GLU 44 Cb 1.29 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 2gff h GLU 44 CO 0.58 0.70 -1.01 0.72 -0.73 0.00 0.00 179.01 179.28 2gff n HIS 45 N -4.44 0.00 -2.81 0.92 8.25 -1.26 -5.00 115.22 110.88 2gff n HIS 45 Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 2gff n HIS 45 Cb 0.11 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2gff n HIS 45 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2gff s ILE 46 N -2.00 4.56 0.51 1.59 1.01 -1.26 -4.94 121.20 120.68 2gff s ILE 46 Ca -0.00 1.11 0.21 0.00 0.00 0.00 0.00 60.65 61.98 2gff s ILE 46 Cb 0.00 -4.35 0.28 0.00 0.01 0.00 0.00 42.46 38.40 2gff s ILE 46 CO 0.00 -0.59 2.14 -0.65 0.00 0.00 0.00 174.94 175.84 2gff h PRO 47 N 8.59 0.00 -0.44 2.79 0.11 -1.95 -2.78 132.00 138.33 2gff h PRO 47 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2gff h PRO 47 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2gff h PRO 47 CO 0.99 0.06 0.00 0.25 -0.21 0.00 0.00 178.00 179.09 2gff n THR 48 N -4.16 1.32 -3.71 -1.15 -2.24 -1.26 -4.92 114.28 98.16 2gff n THR 48 Ca -0.03 -1.16 -0.37 0.00 -2.27 0.00 0.00 64.05 60.22 2gff n THR 48 Cb 0.14 0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 2gff n THR 48 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2gff s ARG 49 N -1.40 3.74 0.30 -0.78 3.52 -1.05 -1.17 118.95 122.10 2gff s ARG 49 Ca 0.34 -0.43 0.11 0.00 -0.13 0.00 0.00 55.73 55.62 2gff s ARG 49 Cb 0.21 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 2gff s ARG 49 CO 0.19 -0.18 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.32 2gff s PHE 50 N 1.64 2.42 0.02 5.12 0.40 0.33 -0.97 117.98 126.94 2gff s PHE 50 Ca 0.06 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 2gff s PHE 50 Cb -0.15 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 2gff s PHE 50 CO 0.06 0.65 -0.07 0.71 0.70 0.00 0.00 175.22 177.26 2gff s TYR 51 N -2.49 0.61 -0.12 0.36 1.51 -0.35 -0.84 117.35 116.03 2gff s TYR 51 Ca 0.31 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 2gff s TYR 51 Cb -0.03 -0.38 0.01 0.00 -0.11 0.00 0.00 41.96 41.45 2gff s TYR 51 CO 0.17 -0.05 -0.17 0.42 -1.11 0.00 0.00 175.55 174.82 2gff s ILE 52 N -0.82 1.64 -0.26 2.71 -1.09 0.23 0.09 121.20 123.69 2gff s ILE 52 Ca -0.04 -0.72 -0.06 0.00 -2.23 0.00 0.00 60.65 57.60 2gff s ILE 52 Cb -0.07 -1.49 -0.01 0.00 -1.58 0.00 0.00 42.46 39.32 2gff s ILE 52 CO 0.00 0.47 0.04 -0.47 -1.23 0.00 0.00 174.94 173.76 2gff s TYR 53 N 1.02 3.07 0.01 3.97 6.14 -0.03 -1.14 117.35 130.40 2gff s TYR 53 Ca -0.05 -0.75 0.04 0.00 0.64 0.00 0.00 57.07 56.95 2gff s TYR 53 Cb -0.15 -2.21 -0.01 0.00 0.42 0.00 0.00 41.96 40.01 2gff s TYR 53 CO -0.03 -0.48 -0.13 -1.21 0.64 0.00 0.00 175.55 174.34 2gff s GLU 54 N 1.54 0.95 0.01 4.97 2.02 0.01 -0.89 118.70 127.31 2gff s GLU 54 Ca 0.05 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 2gff s GLU 54 Cb -0.16 -0.93 -0.01 0.00 0.10 0.00 0.00 34.13 33.14 2gff s GLU 54 CO 0.01 0.24 0.01 0.00 0.02 0.00 0.00 175.26 175.55 2gff s ALA 55 N -0.55 -0.01 0.04 5.21 0.00 -0.60 -0.63 121.76 125.22 2gff s ALA 55 Ca 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 2gff s ALA 55 Cb -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2gff s ALA 55 CO 0.00 -0.11 -0.04 0.71 0.00 0.00 0.00 175.76 176.33 2gff s TYR 56 N -0.87 0.44 0.32 0.00 1.51 -0.04 -0.73 117.35 117.99 2gff s TYR 56 Ca -0.10 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.22 2gff s TYR 56 Cb -0.06 -0.31 0.54 0.00 -0.11 0.00 0.00 41.96 42.02 2gff s TYR 56 CO -0.00 -0.25 1.92 1.79 -1.11 0.00 0.00 175.55 177.90 2gff h THR 57 N 3.95 1.19 -2.47 -0.71 1.35 -1.59 0.96 112.91 115.59 2gff h THR 57 Ca -0.33 -0.55 0.06 0.00 -0.55 0.00 0.00 66.41 65.04 2gff h THR 57 Cb 1.18 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2gff h THR 57 CO 0.52 0.23 0.34 -0.90 -0.25 0.00 0.00 175.52 175.46 2gff n ASP 58 N -4.36 -1.44 0.18 5.36 3.85 -1.26 -4.51 116.55 114.37 2gff n ASP 58 Ca 0.05 -1.87 0.02 0.00 -0.71 0.00 0.00 54.79 52.28 2gff n ASP 58 Cb 0.14 2.37 0.34 0.00 -1.35 0.00 0.00 41.12 42.61 2gff n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2gff h GLU 59 N 0.00 0.02 -0.71 0.11 3.07 -1.99 -2.14 114.58 112.94 2gff h GLU 59 Ca -0.22 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.56 2gff h GLU 59 Cb 0.89 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.77 2gff h GLU 59 CO 0.29 0.40 0.17 0.00 -1.40 0.00 0.00 179.01 178.47 2gff h ALA 60 N 1.60 0.93 -0.45 3.43 0.00 -1.99 -1.83 119.26 120.95 2gff h ALA 60 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2gff h ALA 60 Cb 0.69 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2gff h ALA 60 CO 0.05 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.79 2gff h ALA 61 N 1.08 0.86 -0.43 0.00 0.00 -1.77 -0.38 119.26 118.62 2gff h ALA 61 Ca 0.22 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2gff h ALA 61 Cb 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2gff h ALA 61 CO 0.00 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.40 2gff h VAL 62 N 0.77 0.99 -0.48 0.00 2.07 -1.23 -1.68 116.25 116.70 2gff h VAL 62 Ca 0.11 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2gff h VAL 62 Cb 0.69 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2gff h VAL 62 CO 0.05 0.08 0.19 0.00 0.02 0.00 0.00 177.57 177.92 2gff h ALA 63 N 1.22 0.62 -0.45 1.67 0.00 -1.00 -2.19 119.26 119.11 2gff h ALA 63 Ca 0.18 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2gff h ALA 63 Cb 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2gff h ALA 63 CO -0.11 0.22 0.13 0.82 0.00 0.00 0.00 179.25 180.31 2gff h ILE 64 N 0.63 0.82 -0.80 0.00 2.04 -0.91 -1.92 117.51 117.37 2gff h ILE 64 Ca 0.16 -0.10 0.15 0.00 1.00 0.00 0.00 64.86 66.07 2gff h ILE 64 Cb 0.19 0.50 -0.10 0.00 -0.74 0.00 0.00 36.82 36.67 2gff h ILE 64 CO -0.01 0.05 0.36 -0.74 0.00 0.00 0.00 178.15 177.81 2gff h HIS 65 N 0.29 0.61 0.00 1.37 2.76 -0.72 -0.23 115.15 119.23 2gff h HIS 65 Ca 0.22 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2gff h HIS 65 Cb 0.24 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2gff h HIS 65 CO -0.18 0.09 0.00 1.63 -1.30 0.00 0.00 177.93 178.17 2gff n LYS 66 N -4.96 0.77 -0.04 5.26 5.02 -0.73 -2.31 118.16 121.16 2gff n LYS 66 Ca 0.16 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.55 2gff n LYS 66 Cb 0.45 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.06 2gff n LYS 66 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gff n THR 67 N -1.02 0.13 -3.02 -0.18 -2.24 -0.10 -4.83 114.28 103.01 2gff n THR 67 Ca 0.19 -0.56 -0.31 0.00 -2.27 0.00 0.00 64.05 61.09 2gff n THR 67 Cb 0.10 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.55 2gff n THR 67 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2gff s THR 68 N -1.45 4.73 0.27 4.28 -4.23 -0.98 -4.96 115.64 113.31 2gff s THR 68 Ca 0.23 0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 61.51 2gff s THR 68 Cb 0.16 -3.66 0.27 0.00 1.34 0.00 0.00 72.50 70.60 2gff s THR 68 CO 0.23 -0.33 1.91 -0.65 -0.54 0.00 0.00 174.62 175.24 2gff h PRO 69 N 1.82 1.15 -0.57 3.99 0.11 -1.96 -1.87 132.00 134.67 2gff h PRO 69 Ca -0.47 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 2gff h PRO 69 Cb 1.18 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 2gff h PRO 69 CO 0.65 0.76 0.12 1.12 -0.21 0.00 0.00 178.00 180.44 2gff h HIS 70 N 1.19 0.93 -0.11 0.65 2.07 -1.93 0.17 115.15 118.11 2gff h HIS 70 Ca 0.39 -0.10 -0.03 0.00 -2.85 0.00 0.00 60.37 57.79 2gff h HIS 70 Cb 0.06 -0.27 -0.00 0.00 2.57 0.00 0.00 27.41 29.77 2gff h HIS 70 CO -0.00 0.78 -0.04 -0.92 -3.07 0.00 0.00 177.93 174.68 2gff h TYR 71 N 0.85 0.25 -0.53 6.12 5.03 -1.75 -2.80 116.97 124.14 2gff h TYR 71 Ca 0.18 -0.06 -0.06 0.00 2.58 0.00 0.00 58.73 61.37 2gff h TYR 71 Cb 0.33 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 2gff h TYR 71 CO 0.02 0.54 0.07 -0.07 -1.32 0.00 0.00 178.16 177.41 2gff h LEU 72 N -0.12 0.80 -1.41 2.82 3.38 -1.02 0.13 115.31 119.89 2gff h LEU 72 Ca 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2gff h LEU 72 Cb 0.47 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2gff h LEU 72 CO 0.01 0.82 0.32 0.06 0.09 0.00 0.00 178.44 179.75 2gff h GLN 73 N 0.80 0.72 -0.00 1.13 -0.00 -1.03 -0.98 115.11 115.75 2gff h GLN 73 Ca 0.17 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.76 2gff h GLN 73 Cb 0.38 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.70 2gff h GLN 73 CO 0.01 0.51 -0.00 0.00 -0.00 0.00 0.00 178.83 179.34 2gff h VAL 75 N -0.36 0.76 0.12 0.00 2.07 -0.75 -1.27 116.25 116.83 2gff h VAL 75 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2gff h VAL 75 Cb 0.36 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2gff h VAL 75 CO 0.00 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.87 2gff h GLU 76 N -0.03 -0.61 0.00 1.57 5.08 -1.16 -3.06 114.58 116.38 2gff h GLU 76 Ca 0.10 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2gff h GLU 76 Cb 0.18 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2gff h GLU 76 CO -0.22 -0.40 0.00 1.04 -1.00 0.00 0.00 179.01 178.42 2gff n GLN 77 N -5.46 0.16 0.09 2.33 6.02 -0.75 -3.95 117.38 115.83 2gff n GLN 77 Ca -0.07 0.06 -0.15 0.00 -0.01 0.00 0.00 57.00 56.83 2gff n GLN 77 Cb 0.37 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.04 2gff n GLN 77 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2gff h LEU 78 N 0.00 0.52 0.16 1.08 5.85 -1.14 -3.36 115.31 118.43 2gff h LEU 78 Ca 0.00 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 2gff h LEU 78 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2gff h LEU 78 CO 0.00 1.32 -0.12 0.00 -0.34 0.00 0.00 178.44 179.30 2gff h ALA 79 N 0.62 -0.27 0.00 1.25 0.00 -1.76 -1.93 119.26 117.18 2gff h ALA 79 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2gff h ALA 79 Cb 1.78 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2gff h ALA 79 CO 0.19 -0.66 0.19 -2.30 0.00 0.00 0.00 179.25 176.67 2gff n PRO 80 N -5.24 0.06 -0.17 0.00 -0.02 -1.26 -4.88 135.00 123.50 2gff n PRO 80 Ca -0.08 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 2gff n PRO 80 Cb 0.16 -1.88 0.21 0.00 -0.02 0.00 0.00 33.50 31.96 2gff n PRO 80 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2gff n LEU 81 N -1.77 1.93 0.00 2.45 4.77 -0.73 -4.91 117.00 118.73 2gff n LEU 81 Ca -0.01 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2gff n LEU 81 Cb 0.21 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2gff n LEU 81 CO 0.04 0.47 -0.37 0.35 -1.33 0.00 0.00 177.39 176.55 2gff n THR 83 N 0.54 0.00 -3.38 -5.08 -2.24 -0.55 -0.41 114.28 103.16 2gff n THR 83 Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2gff n THR 83 Cb 0.32 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2gff n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gff n GLY 84 N 2.24 2.31 3.85 3.38 0.00 -1.26 -5.09 105.19 110.62 2gff n GLY 84 Ca 0.00 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 2gff n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gff s PRO 85 N -2.08 3.68 0.73 1.61 0.04 -1.26 -4.81 135.00 132.92 2gff s PRO 85 Ca 0.04 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 2gff s PRO 85 Cb -0.01 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2gff s PRO 85 CO 0.03 -0.50 1.08 -0.98 0.04 0.00 0.00 177.00 176.68 2gff s ARG 86 N -4.64 2.53 -0.08 4.56 1.70 -1.26 -4.85 118.95 116.91 2gff s ARG 86 Ca 0.57 1.14 0.04 0.00 -0.47 0.00 0.00 55.73 57.01 2gff s ARG 86 Cb -0.11 -1.93 -0.01 0.00 -0.57 0.00 0.00 34.95 32.33 2gff s ARG 86 CO 0.44 -1.43 -0.22 0.15 -1.08 0.00 0.00 175.30 173.16 2gff s LYS 87 N -4.82 2.84 -0.05 3.89 -0.14 -0.63 -4.97 119.74 115.86 2gff s LYS 87 Ca 0.61 -0.85 0.06 0.00 -1.36 0.00 0.00 55.97 54.43 2gff s LYS 87 Cb -0.17 -2.29 -0.01 0.00 -1.68 0.00 0.00 37.83 33.68 2gff s LYS 87 CO 0.53 0.30 -0.24 0.21 -0.76 0.00 0.00 175.35 175.40 2gff s LYS 88 N 0.05 2.37 -0.09 1.68 2.20 -1.26 -0.19 119.74 124.49 2gff s LYS 88 Ca -0.09 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.69 2gff s LYS 88 Cb -0.15 -2.05 -0.00 0.00 -1.51 0.00 0.00 37.83 34.11 2gff s LYS 88 CO 0.06 0.39 -0.24 0.99 -0.36 0.00 0.00 175.35 176.19 2gff s THR 89 N -0.20 2.11 -0.09 3.43 2.01 0.67 -4.99 115.64 118.57 2gff s THR 89 Ca -0.02 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 2gff s THR 89 Cb -0.13 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2gff s THR 89 CO 0.03 0.56 0.14 -0.69 -0.69 0.00 0.00 174.62 173.96 2gff s VAL 90 N 0.26 5.37 0.12 3.82 1.01 -1.26 -1.02 120.40 128.70 2gff s VAL 90 Ca -0.16 0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.96 2gff s VAL 90 Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2gff s VAL 90 CO 0.08 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.20 2gff s PHE 91 N -1.08 1.59 -0.27 5.22 0.40 -0.17 -5.00 117.98 118.68 2gff s PHE 91 Ca 0.18 -0.48 -0.19 0.00 -0.60 0.00 0.00 56.93 55.83 2gff s PHE 91 Cb -0.12 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 2gff s PHE 91 CO 0.07 0.19 0.59 0.42 0.70 0.00 0.00 175.22 177.20 2gff s ILE 92 N -1.68 5.00 -0.22 0.64 1.01 -1.26 -3.00 121.20 121.70 2gff s ILE 92 Ca 0.08 1.00 -0.26 0.00 0.00 0.00 0.00 60.65 61.46 2gff s ILE 92 Cb -0.07 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.48 2gff s ILE 92 CO 0.04 0.02 0.91 -0.83 0.00 0.00 0.00 174.94 175.08 2gff s GLY 93 N 1.52 1.84 0.00 6.18 0.00 -1.26 -4.99 107.32 110.61 2gff s GLY 93 Ca 0.24 0.03 0.15 0.00 0.00 0.00 0.00 44.72 45.15 2gff s GLY 93 CO 0.09 1.92 1.09 1.04 0.00 0.00 0.00 173.10 177.24 2gff n LEU 94 N 5.91 2.56 -4.09 0.66 4.77 -1.26 -4.92 117.00 120.63 2gff n LEU 94 Ca 0.08 -1.25 -0.39 0.00 -0.03 0.00 0.00 56.01 54.41 2gff n LEU 94 Cb 0.47 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2gff n LEU 94 CO 0.49 0.52 -0.47 -0.81 -1.33 0.00 0.00 177.39 175.79 2gff n PRO 96 N 0.89 0.00 -3.22 3.23 -0.04 -1.26 -3.78 135.00 130.82 2gff n PRO 96 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2gff n PRO 96 Cb 0.42 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2gff n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gff n GLY 97 N 2.27 -1.19 0.28 0.55 0.00 -1.26 -4.94 105.19 100.90 2gff n GLY 97 Ca 0.10 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.86 2gff n GLY 97 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gff h SER 98 N 0.00 0.00 0.73 1.61 4.64 -1.95 -0.26 113.55 118.32 2gff h SER 98 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gff h SER 98 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2gff h SER 98 CO 0.00 0.02 0.00 -0.11 -0.87 0.00 0.00 176.83 175.87 2gff n LEU 99 N -4.04 0.44 0.00 5.97 7.94 -1.25 -5.23 117.00 120.83 2gff n LEU 99 Ca -0.03 0.60 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 2gff n LEU 99 Cb 0.11 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.53 2gff n LEU 99 CO 0.30 -0.41 0.24 -0.62 -1.11 0.00 0.00 177.39 175.79