#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bf2 n ASP 5 N 0.00 -5.52 -1.80 0.00 5.75 -1.26 -4.25 116.55 109.47 2bf2 n ASP 5 Ca 0.00 0.65 -0.04 0.00 -0.01 0.00 0.00 54.79 55.39 2bf2 n ASP 5 Cb 0.00 -2.97 0.26 0.00 -1.03 0.00 0.00 41.12 37.39 2bf2 n ASP 5 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bf2 n GLN 6 N -3.63 3.39 0.05 0.11 1.13 -1.26 -3.08 117.38 114.08 2bf2 n GLN 6 Ca -0.02 -2.57 -0.21 0.00 -1.94 0.00 0.00 57.00 52.25 2bf2 n GLN 6 Cb 0.43 -2.08 -0.14 0.00 0.11 0.00 0.00 30.24 28.55 2bf2 n GLN 6 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2bf2 h ALA 7 N 2.70 0.28 -0.51 -1.58 0.00 -1.92 -3.15 119.26 115.09 2bf2 h ALA 7 Ca 0.21 -1.23 -0.02 0.00 0.00 0.00 0.00 54.91 53.86 2bf2 h ALA 7 Cb 2.06 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 2bf2 h ALA 7 CO 0.61 1.15 0.22 1.25 0.00 0.00 0.00 179.25 182.48 2bf2 h LEU 8 N 0.09 0.66 -1.77 0.00 5.85 -1.72 0.31 115.31 118.72 2bf2 h LEU 8 Ca -0.36 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2bf2 h LEU 8 Cb 2.07 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.93 2bf2 h LEU 8 CO 0.14 0.58 0.00 1.41 -0.34 0.00 0.00 178.44 180.24 2bf2 n HIS 9 N -4.36 0.08 -1.88 1.25 8.25 -1.23 -4.11 115.22 113.21 2bf2 n HIS 9 Ca 0.04 -0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2bf2 n HIS 9 Cb 0.15 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 2bf2 n HIS 9 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2bf2 s ASN 10 N -1.91 6.51 0.24 0.41 3.84 -1.19 -4.84 114.94 118.00 2bf2 s ASN 10 Ca 0.31 2.78 0.12 0.00 0.21 0.00 0.00 52.86 56.28 2bf2 s ASN 10 Cb 0.20 -2.62 0.19 0.00 -0.55 0.00 0.00 41.25 38.48 2bf2 s ASN 10 CO 0.31 -0.83 1.50 -0.55 -2.79 0.00 0.00 177.10 174.74 2bf2 h ASN 11 N 5.49 0.00 -3.56 -4.21 7.08 -1.92 -3.40 115.58 115.06 2bf2 h ASN 11 Ca -0.45 0.00 -0.60 0.00 -3.08 0.00 0.00 56.30 52.17 2bf2 h ASN 11 Cb 1.21 0.00 -0.11 0.00 -2.08 0.00 0.00 38.32 37.35 2bf2 h ASN 11 CO 0.83 0.68 0.61 0.20 -2.08 0.00 0.00 177.43 177.67 2bf2 s ASN 12 N -6.67 6.47 0.11 6.14 0.01 -1.26 0.11 114.94 119.85 2bf2 s ASN 12 Ca 0.00 0.04 0.08 0.00 -0.71 0.00 0.00 52.86 52.28 2bf2 s ASN 12 Cb 0.11 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 2bf2 s ASN 12 CO 0.76 -1.11 -0.17 0.68 -1.51 0.00 0.00 177.10 175.75 2bf2 s VAL 13 N 3.88 2.91 -5.00 1.60 -7.23 -0.38 -4.70 120.40 111.47 2bf2 s VAL 13 Ca 0.36 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 2bf2 s VAL 13 Cb -0.10 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2bf2 s VAL 13 CO 0.25 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 2bf2 n GLY 14 N 0.87 -0.63 3.83 2.32 0.00 -0.98 -1.28 105.19 109.31 2bf2 n GLY 14 Ca -0.15 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 2bf2 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bf2 s PRO 15 N -1.96 4.11 -0.17 1.61 0.04 -1.15 -1.64 135.00 135.85 2bf2 s PRO 15 Ca 0.00 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.05 2bf2 s PRO 15 Cb 0.00 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2bf2 s PRO 15 CO 0.00 -0.08 -0.15 0.42 0.04 0.00 0.00 177.00 177.23 2bf2 s ILE 16 N -2.30 2.56 0.08 0.56 1.01 -0.10 -1.65 121.20 121.35 2bf2 s ILE 16 Ca 0.60 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 60.55 2bf2 s ILE 16 Cb -0.09 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2bf2 s ILE 16 CO 0.19 0.51 -0.23 -0.63 0.00 0.00 0.00 174.94 174.78 2bf2 s ILE 17 N 1.09 1.92 0.38 2.92 1.01 -0.38 -0.69 121.20 127.46 2bf2 s ILE 17 Ca -0.00 -1.46 -0.27 0.00 0.00 0.00 0.00 60.65 58.92 2bf2 s ILE 17 Cb -0.14 -1.69 -0.09 0.00 0.01 0.00 0.00 42.46 40.54 2bf2 s ILE 17 CO -0.05 0.15 1.32 -0.60 0.00 0.00 0.00 174.94 175.75 2bf2 s ARG 18 N -1.58 4.12 0.48 2.79 3.52 -1.26 -0.21 118.95 126.82 2bf2 s ARG 18 Ca 0.10 2.21 -0.22 0.00 -0.13 0.00 0.00 55.73 57.68 2bf2 s ARG 18 Cb -0.10 -2.89 -0.09 0.00 -1.56 0.00 0.00 34.95 30.31 2bf2 s ARG 18 CO 0.03 -0.38 0.91 0.00 -0.81 0.00 0.00 175.30 175.05 2bf2 n ALA 19 N 0.40 -0.09 0.00 6.12 0.00 0.20 -4.70 120.51 122.44 2bf2 n ALA 19 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2bf2 n ALA 19 Cb 0.43 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2bf2 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bf2 n GLY 20 N 1.32 0.44 0.01 0.00 0.00 -1.26 -4.94 105.19 100.76 2bf2 n GLY 20 Ca 0.11 -1.67 0.04 0.00 0.00 0.00 0.00 46.02 44.50 2bf2 n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bf2 n ASP 21 N 1.07 0.04 -0.01 1.61 8.00 -1.26 -2.51 116.55 123.49 2bf2 n ASP 21 Ca 0.00 0.51 0.02 0.00 0.71 0.00 0.00 54.79 56.03 2bf2 n ASP 21 Cb 0.00 -0.52 -0.13 0.00 -0.02 0.00 0.00 41.12 40.45 2bf2 n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2bf2 n LEU 22 N -1.54 0.32 0.21 0.64 7.94 -1.26 -4.58 117.00 118.73 2bf2 n LEU 22 Ca 0.02 0.14 -0.16 0.00 -1.11 0.00 0.00 56.01 54.90 2bf2 n LEU 22 Cb 0.09 0.16 -0.09 0.00 0.53 0.00 0.00 43.42 44.12 2bf2 n LEU 22 CO 0.08 0.17 0.52 0.58 -1.11 0.00 0.00 177.39 177.63 2bf2 h VAL 23 N 0.00 0.00 -0.24 1.96 2.07 -1.77 -2.40 116.25 115.88 2bf2 h VAL 23 Ca -0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2bf2 h VAL 23 Cb 1.53 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 2bf2 h VAL 23 CO 0.02 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 177.32 2bf2 h GLU 24 N -0.83 -0.21 -0.04 1.57 4.57 -1.81 -0.20 114.58 117.63 2bf2 h GLU 24 Ca -0.04 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2bf2 h GLU 24 Cb 0.74 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2bf2 h GLU 24 CO -0.12 -0.14 0.03 -1.35 -1.18 0.00 0.00 179.01 176.25 2bf2 h PRO 25 N -0.22 0.00 0.07 0.92 0.11 -1.79 -0.99 132.00 130.10 2bf2 h PRO 25 Ca 0.13 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.98 2bf2 h PRO 25 Cb 0.43 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.56 2bf2 h PRO 25 CO -0.37 0.00 -1.08 0.28 -0.21 0.00 0.00 178.00 176.63 2bf2 h VAL 26 N 0.00 1.32 -0.26 3.15 2.07 -0.61 -1.23 116.25 120.68 2bf2 h VAL 26 Ca 0.02 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.21 2bf2 h VAL 26 Cb 0.07 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2bf2 h VAL 26 CO -0.00 0.71 0.07 0.40 0.02 0.00 0.00 177.57 178.78 2bf2 h ILE 27 N 0.21 0.91 -0.32 4.57 2.04 -0.83 0.11 117.51 124.20 2bf2 h ILE 27 Ca -0.16 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 2bf2 h ILE 27 Cb 1.76 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2bf2 h ILE 27 CO 0.21 0.03 -0.02 -0.33 0.00 0.00 0.00 178.15 178.04 2bf2 h GLU 28 N 0.18 0.51 -0.09 2.37 5.08 -1.22 -1.94 114.58 119.47 2bf2 h GLU 28 Ca 0.12 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2bf2 h GLU 28 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2bf2 h GLU 28 CO -0.14 0.55 -0.81 1.15 -1.00 0.00 0.00 179.01 178.76 2bf2 h THR 29 N 0.48 1.33 -0.22 1.13 2.02 -0.73 -1.61 112.91 115.32 2bf2 h THR 29 Ca 0.10 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.15 2bf2 h THR 29 Cb 0.35 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2bf2 h THR 29 CO 0.01 0.65 0.14 0.00 0.37 0.00 0.00 175.52 176.70 2bf2 h ALA 30 N 0.71 0.27 -0.46 6.16 0.00 -0.34 -0.45 119.26 125.16 2bf2 h ALA 30 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2bf2 h ALA 30 Cb 1.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2bf2 h ALA 30 CO 0.15 -0.25 0.15 1.49 0.00 0.00 0.00 179.25 180.79 2bf2 h GLU 31 N 0.29 0.71 -0.18 0.00 4.81 -1.33 -0.34 114.58 118.54 2bf2 h GLU 31 Ca 0.08 -0.15 -0.19 0.00 -0.13 0.00 0.00 59.36 58.97 2bf2 h GLU 31 Cb -0.03 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2bf2 h GLU 31 CO -0.02 0.67 -0.67 0.82 -0.73 0.00 0.00 179.01 179.09 2bf2 h ILE 32 N 0.61 1.30 0.00 2.32 2.04 -1.22 -3.31 117.51 119.25 2bf2 h ILE 32 Ca 0.15 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2bf2 h ILE 32 Cb 0.25 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2bf2 h ILE 32 CO -0.01 0.60 -0.70 0.47 0.00 0.00 0.00 178.15 178.52 2bf2 n ASP 33 N -3.94 0.65 -3.20 1.72 8.00 -0.18 -4.32 116.55 115.27 2bf2 n ASP 33 Ca -0.05 -0.42 -0.26 0.00 0.71 0.00 0.00 54.79 54.77 2bf2 n ASP 33 Cb 0.68 0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 42.23 2bf2 n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bf2 n ASN 34 N -1.58 3.29 -4.72 -2.24 3.02 -0.15 -4.82 115.26 108.07 2bf2 n ASN 34 Ca 0.05 -3.40 -0.43 0.00 -0.03 0.00 0.00 54.58 50.77 2bf2 n ASN 34 Cb 0.35 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 2bf2 n ASN 34 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2bf2 n PRO 35 N 0.46 2.48 -1.88 3.52 -0.04 -1.25 -2.48 135.00 135.81 2bf2 n PRO 35 Ca 0.29 0.89 -0.09 0.00 -0.04 0.00 0.00 63.50 64.54 2bf2 n PRO 35 Cb 0.44 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 2bf2 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bf2 n GLY 36 N 2.41 0.34 3.29 0.55 0.00 -1.26 -5.01 105.19 105.51 2bf2 n GLY 36 Ca 0.11 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2bf2 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bf2 s LYS 37 N -3.92 2.31 -0.26 1.61 -0.14 -1.04 -5.10 119.74 113.22 2bf2 s LYS 37 Ca 0.00 -0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 53.41 2bf2 s LYS 37 Cb 0.00 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 2bf2 s LYS 37 CO 0.00 0.47 1.50 -2.00 -0.76 0.00 0.00 175.35 174.56 2bf2 s GLU 38 N -0.38 3.82 -0.31 1.68 2.12 -1.26 -4.97 118.70 119.41 2bf2 s GLU 38 Ca 0.03 1.49 -0.12 0.00 0.36 0.00 0.00 54.97 56.74 2bf2 s GLU 38 Cb -0.12 -3.98 -0.03 0.00 0.26 0.00 0.00 34.13 30.26 2bf2 s GLU 38 CO 0.01 -1.25 0.20 0.42 -0.54 0.00 0.00 175.26 174.11 2bf2 s ILE 39 N 4.94 5.17 0.10 -3.70 -1.09 -1.26 -4.46 121.20 120.90 2bf2 s ILE 39 Ca 0.66 -0.09 -0.21 0.00 -2.23 0.00 0.00 60.65 58.78 2bf2 s ILE 39 Cb -0.22 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 37.02 2bf2 s ILE 39 CO 0.27 0.11 0.63 -0.89 -1.23 0.00 0.00 174.94 173.83 2bf2 s THR 40 N 1.72 4.63 -0.18 2.92 2.01 0.14 -4.93 115.64 121.95 2bf2 s THR 40 Ca 0.06 1.36 -0.03 0.00 0.31 0.00 0.00 61.69 63.39 2bf2 s THR 40 Cb -0.17 -3.97 0.06 0.00 0.01 0.00 0.00 72.50 68.43 2bf2 s THR 40 CO 0.10 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 173.92 2bf2 s VAL 41 N -1.12 0.42 -0.29 3.82 1.01 -1.26 -1.62 120.40 121.36 2bf2 s VAL 41 Ca 0.31 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2bf2 s VAL 41 Cb -0.21 -0.91 0.08 0.00 0.00 0.00 0.00 36.38 35.34 2bf2 s VAL 41 CO 0.21 -0.17 -0.03 -0.70 0.00 0.00 0.00 175.10 174.41 2bf2 s GLU 42 N 1.91 1.81 -0.79 2.72 2.12 -0.65 -5.00 118.70 120.82 2bf2 s GLU 42 Ca 0.00 -1.51 -0.17 0.00 0.36 0.00 0.00 54.97 53.65 2bf2 s GLU 42 Cb -0.16 -2.95 0.15 0.00 0.26 0.00 0.00 34.13 31.43 2bf2 s GLU 42 CO -0.08 -0.73 0.88 0.34 -0.54 0.00 0.00 175.26 175.13 2bf2 s ASP 43 N 1.07 6.53 -0.40 -1.70 -1.08 -1.26 -1.57 116.67 118.26 2bf2 s ASP 43 Ca -0.00 -2.05 -0.07 0.00 -0.52 0.00 0.00 52.55 49.91 2bf2 s ASP 43 Cb -0.19 -2.31 0.08 0.00 -1.46 0.00 0.00 42.92 39.04 2bf2 s ASP 43 CO -0.07 -0.93 0.22 -0.60 0.52 0.00 0.00 175.17 174.31 2bf2 s ARG 44 N 1.90 2.46 7.25 4.34 3.52 0.96 -4.97 118.95 134.42 2bf2 s ARG 44 Ca 0.21 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.30 2bf2 s ARG 44 Cb -0.13 -3.67 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 2bf2 s ARG 44 CO -0.04 -0.94 0.00 0.54 -0.81 0.00 0.00 175.30 174.04 2bf2 n ARG 45 N 4.82 0.00 -0.23 5.12 5.12 -1.26 -2.11 116.66 128.11 2bf2 n ARG 45 Ca -0.09 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.91 2bf2 n ARG 45 Cb 0.43 0.00 0.21 0.00 -1.16 0.00 0.00 32.46 31.94 2bf2 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bf2 n ALA 46 N 10.60 2.28 -2.80 7.54 0.00 -1.26 -4.95 120.51 131.92 2bf2 n ALA 46 Ca 0.00 -1.16 -0.33 0.00 0.00 0.00 0.00 53.44 51.96 2bf2 n ALA 46 Cb 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 2bf2 n ALA 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2bf2 s TYR 47 N -1.03 2.70 -0.18 0.00 1.51 -0.90 0.61 117.35 120.05 2bf2 s TYR 47 Ca 0.33 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2bf2 s TYR 47 Cb 0.17 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 2bf2 s TYR 47 CO 0.23 -0.07 -0.12 0.08 -1.11 0.00 0.00 175.55 174.55 2bf2 s VAL 48 N -0.14 2.80 -0.22 0.71 1.01 0.71 -0.03 120.40 125.24 2bf2 s VAL 48 Ca -0.02 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 2bf2 s VAL 48 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2bf2 s VAL 48 CO 0.04 0.49 0.36 -0.60 0.00 0.00 0.00 175.10 175.39 2bf2 s ARG 49 N 1.12 4.13 -0.20 2.72 3.52 -0.61 -1.24 118.95 128.39 2bf2 s ARG 49 Ca 0.01 0.11 -0.03 0.00 -0.13 0.00 0.00 55.73 55.69 2bf2 s ARG 49 Cb -0.14 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.67 2bf2 s ARG 49 CO -0.04 -0.08 -0.05 0.42 -0.81 0.00 0.00 175.30 174.74 2bf2 s ILE 50 N 1.44 3.40 0.02 4.11 1.09 -0.66 -1.64 121.20 128.95 2bf2 s ILE 50 Ca 0.17 -0.50 0.00 0.00 -1.10 0.00 0.00 60.65 59.22 2bf2 s ILE 50 Cb -0.15 -2.52 -0.02 0.00 -1.06 0.00 0.00 42.46 38.71 2bf2 s ILE 50 CO 0.08 0.45 -0.04 0.00 -0.10 0.00 0.00 174.94 175.33 2bf2 s ALA 51 N 1.17 0.20 0.05 9.38 0.00 -0.64 -2.93 121.76 129.00 2bf2 s ALA 51 Ca 0.02 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.50 2bf2 s ALA 51 Cb -0.14 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2bf2 s ALA 51 CO -0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 175.76 175.53 2bf2 s ALA 52 N -1.17 1.01 0.12 0.00 0.00 -0.41 -0.68 121.76 120.63 2bf2 s ALA 52 Ca -0.12 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 2bf2 s ALA 52 Cb -0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.84 2bf2 s ALA 52 CO -0.01 0.14 1.79 -2.00 0.00 0.00 0.00 175.76 175.69 2bf2 s GLU 53 N -1.45 4.15 0.00 0.00 2.12 -1.26 -1.24 118.70 121.01 2bf2 s GLU 53 Ca -0.02 2.55 0.00 0.00 0.36 0.00 0.00 54.97 57.86 2bf2 s GLU 53 Cb -0.09 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2bf2 s GLU 53 CO 0.01 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.33 2bf2 n GLY 54 N 4.18 2.31 3.61 -1.50 0.00 0.30 -4.84 105.19 109.25 2bf2 n GLY 54 Ca 0.17 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 2bf2 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bf2 s GLU 55 N 0.00 0.79 -0.17 1.61 2.12 -1.26 -1.27 118.70 120.52 2bf2 s GLU 55 Ca 0.00 1.01 -0.04 0.00 0.36 0.00 0.00 54.97 56.30 2bf2 s GLU 55 Cb 0.00 0.35 0.07 0.00 0.26 0.00 0.00 34.13 34.81 2bf2 s GLU 55 CO 0.00 -0.11 0.17 -1.17 -0.54 0.00 0.00 175.26 173.61 2bf2 s LEU 56 N 0.61 0.04 -0.02 2.70 2.96 -0.25 -4.70 118.68 120.01 2bf2 s LEU 56 Ca -0.02 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2bf2 s LEU 56 Cb -0.05 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.76 2bf2 s LEU 56 CO -0.03 -0.32 0.17 -0.63 -1.32 0.00 0.00 176.35 174.22 2bf2 s ILE 57 N 2.26 5.37 -0.14 6.68 1.01 -1.26 -1.13 121.20 133.99 2bf2 s ILE 57 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 2bf2 s ILE 57 Cb -0.15 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 38.88 2bf2 s ILE 57 CO -0.10 0.36 0.09 -0.76 0.00 0.00 0.00 174.94 174.53 2bf2 s LEU 58 N -1.82 0.28 0.05 2.97 1.43 -0.26 -4.65 118.68 116.69 2bf2 s LEU 58 Ca 0.26 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 2bf2 s LEU 58 Cb -0.12 -0.20 -0.06 0.00 0.03 0.00 0.00 46.19 45.83 2bf2 s LEU 58 CO 0.17 -0.33 0.46 0.42 0.23 0.00 0.00 176.35 177.30 2bf2 s THR 59 N 2.15 4.95 0.22 5.49 -4.23 -1.26 -1.70 115.64 121.26 2bf2 s THR 59 Ca 0.03 0.86 -0.13 0.00 -1.18 0.00 0.00 61.69 61.27 2bf2 s THR 59 Cb -0.15 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.21 2bf2 s THR 59 CO -0.08 0.47 1.62 -0.09 -0.54 0.00 0.00 174.62 176.00 2bf2 h ARG 60 N 4.32 0.00 0.25 3.99 2.43 -0.79 -0.87 114.38 123.71 2bf2 h ARG 60 Ca -0.50 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2bf2 h ARG 60 Cb 1.21 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 2bf2 h ARG 60 CO 0.63 0.00 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.65 2bf2 h LYS 61 N 0.00 -0.48 -0.86 0.20 1.63 -1.93 -0.46 116.57 114.66 2bf2 h LYS 61 Ca 0.33 0.03 0.04 0.00 -0.85 0.00 0.00 60.65 60.20 2bf2 h LYS 61 Cb 0.50 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 32.18 2bf2 h LYS 61 CO -0.69 -0.32 0.55 1.15 -3.45 0.00 0.00 179.45 176.68 2bf2 h THR 62 N -0.50 1.10 -0.18 1.00 2.02 -1.91 -2.09 112.91 112.34 2bf2 h THR 62 Ca -0.01 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2bf2 h THR 62 Cb 0.46 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2bf2 h THR 62 CO -0.04 0.19 -0.14 -0.07 0.37 0.00 0.00 175.52 175.83 2bf2 h LEU 63 N 1.04 0.28 -0.08 2.58 3.38 -0.68 -1.26 115.31 120.58 2bf2 h LEU 63 Ca 0.36 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2bf2 h LEU 63 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bf2 h LEU 63 CO -0.14 0.45 -0.14 -0.08 0.09 0.00 0.00 178.44 178.62 2bf2 h GLU 64 N 0.28 0.24 -0.80 1.13 4.81 -0.49 -1.84 114.58 117.91 2bf2 h GLU 64 Ca 0.06 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2bf2 h GLU 64 Cb 0.42 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 2bf2 h GLU 64 CO 0.02 0.73 0.47 0.93 -0.73 0.00 0.00 179.01 180.43 2bf2 h GLU 65 N -0.23 0.80 0.00 1.92 5.08 -1.13 0.24 114.58 121.25 2bf2 h GLU 65 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2bf2 h GLU 65 Cb 0.72 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2bf2 h GLU 65 CO 0.03 0.53 -0.06 1.96 -1.00 0.00 0.00 179.01 180.47 2bf2 h GLN 66 N 0.82 0.00 0.00 2.33 1.08 -1.13 -3.09 115.11 115.13 2bf2 h GLN 66 Ca 0.37 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.25 2bf2 h GLN 66 Cb 0.26 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.63 2bf2 h GLN 66 CO -0.21 0.06 -2.04 1.28 -0.95 0.00 0.00 178.83 176.97 2bf2 n LEU 67 N -3.16 0.43 -0.88 1.46 4.77 -0.70 -4.85 117.00 114.07 2bf2 n LEU 67 Ca 0.01 0.20 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 2bf2 n LEU 67 Cb 0.39 0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.81 2bf2 n LEU 67 CO 0.30 0.43 0.03 0.61 -1.33 0.00 0.00 177.39 177.42 2bf2 n GLY 68 N 1.64 0.67 0.00 -0.72 0.00 0.78 -5.03 105.19 102.53 2bf2 n GLY 68 Ca -0.24 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2bf2 n GLY 68 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bf2 n ARG 69 N -1.18 0.00 -1.60 1.61 1.85 -1.20 -5.07 116.66 111.07 2bf2 n ARG 69 Ca -0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.38 2bf2 n ARG 69 Cb 0.51 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.89 2bf2 n ARG 69 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2bf2 n PRO 70 N -0.03 1.37 -4.04 2.89 -0.02 -1.26 -4.73 135.00 129.18 2bf2 n PRO 70 Ca 0.00 0.49 -0.17 0.00 -2.02 0.00 0.00 63.50 61.80 2bf2 n PRO 70 Cb 0.00 -1.96 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 2bf2 n PRO 70 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2bf2 s PHE 71 N -0.51 0.42 -0.07 6.00 5.36 -1.26 -5.03 117.98 122.89 2bf2 s PHE 71 Ca 0.67 -0.07 0.02 0.00 -0.96 0.00 0.00 56.93 56.59 2bf2 s PHE 71 Cb -0.76 -0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.49 2bf2 s PHE 71 CO 0.55 -0.10 -0.12 1.21 -1.46 0.00 0.00 175.22 175.30 2bf2 s ASN 72 N 0.61 4.21 0.43 6.13 3.84 -1.26 -4.92 114.94 123.99 2bf2 s ASN 72 Ca -0.07 -0.17 0.17 0.00 0.21 0.00 0.00 52.86 53.00 2bf2 s ASN 72 Cb -0.10 -1.12 1.09 0.00 -0.55 0.00 0.00 41.25 40.57 2bf2 s ASN 72 CO -0.01 0.31 1.91 0.24 -2.79 0.00 0.00 177.10 176.76 2bf2 h MET 73 N 5.65 0.37 -1.32 0.43 2.86 -1.90 -0.03 114.93 121.00 2bf2 h MET 73 Ca -0.42 -0.02 0.39 0.00 -2.06 0.00 0.00 59.70 57.58 2bf2 h MET 73 Cb 1.17 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.66 2bf2 h MET 73 CO 0.52 0.25 0.90 0.37 1.06 0.00 0.00 176.91 180.01 2bf2 h GLN 74 N 0.38 0.12 -0.28 1.72 -0.00 -1.96 -1.16 115.11 113.93 2bf2 h GLN 74 Ca 0.38 -0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.92 2bf2 h GLN 74 Cb 0.92 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.36 2bf2 h GLN 74 CO -0.12 0.08 -0.24 1.49 0.00 0.00 0.00 178.83 180.04 2bf2 h GLU 75 N 0.12 0.54 -0.00 1.69 4.81 -1.42 0.26 114.58 120.57 2bf2 h GLU 75 Ca 0.71 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2bf2 h GLU 75 Cb 2.41 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.76 2bf2 h GLU 75 CO -0.21 0.74 -0.01 1.25 -0.73 0.00 0.00 179.01 180.05 2bf2 h LEU 76 N 0.47 0.02 -0.77 1.64 5.85 -1.39 -3.21 115.31 117.91 2bf2 h LEU 76 Ca 0.07 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 2bf2 h LEU 76 Cb 0.68 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2bf2 h LEU 76 CO 0.05 0.63 0.40 -0.33 -0.34 0.00 0.00 178.44 178.84 2bf2 h GLU 77 N -0.59 1.10 0.00 1.25 5.08 -0.98 -1.69 114.58 118.74 2bf2 h GLU 77 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2bf2 h GLU 77 Cb 0.62 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2bf2 h GLU 77 CO 0.00 0.84 0.00 0.97 -1.00 0.00 0.00 179.01 179.82 2bf2 h ILE 78 N 1.08 0.00 -0.50 3.13 6.09 -0.65 -1.98 117.51 124.67 2bf2 h ILE 78 Ca 0.27 -0.41 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 2bf2 h ILE 78 Cb 0.08 1.28 0.00 0.00 0.47 0.00 0.00 36.82 38.65 2bf2 h ILE 78 CO -0.04 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.63 2bf2 n ASN 79 N -2.52 3.12 -4.59 2.19 3.02 -0.69 -4.88 115.26 110.91 2bf2 n ASN 79 Ca 0.03 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 2bf2 n ASN 79 Cb 0.31 -0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 2bf2 n ASN 79 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bf2 s LEU 80 N -1.18 3.51 0.35 3.41 1.43 -0.75 -4.13 118.68 121.31 2bf2 s LEU 80 Ca 0.39 0.94 0.17 0.00 -1.03 0.00 0.00 54.13 54.60 2bf2 s LEU 80 Cb 0.21 -3.40 0.57 0.00 0.03 0.00 0.00 46.19 43.60 2bf2 s LEU 80 CO 0.28 -1.65 1.69 0.00 0.23 0.00 0.00 176.35 176.90 2bf2 h ALA 81 N 11.99 0.97 -2.41 4.21 0.00 -1.25 -3.47 119.26 129.30 2bf2 h ALA 81 Ca -0.30 -0.40 0.20 0.00 0.00 0.00 0.00 54.91 54.41 2bf2 h ALA 81 Cb 1.14 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2bf2 h ALA 81 CO 1.08 0.55 0.65 0.45 0.00 0.00 0.00 179.25 181.99 2bf2 n SER 82 N -3.57 -1.53 -3.53 0.00 2.88 -0.94 -5.03 113.62 101.90 2bf2 n SER 82 Ca -0.00 -1.70 -0.09 0.00 -1.33 0.00 0.00 58.87 55.75 2bf2 n SER 82 Cb 0.55 2.46 -0.02 0.00 -0.75 0.00 0.00 64.21 66.45 2bf2 n SER 82 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bf2 s PHE 83 N -2.20 -0.38 0.01 0.66 -0.12 -1.26 -0.93 117.98 113.76 2bf2 s PHE 83 Ca 0.24 0.18 0.08 0.00 -0.05 0.00 0.00 56.93 57.38 2bf2 s PHE 83 Cb -0.02 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2bf2 s PHE 83 CO 0.04 -0.74 -0.25 0.00 -0.05 0.00 0.00 175.22 174.22 2bf2 s ALA 84 N -3.43 2.06 0.00 1.99 0.00 -0.65 -4.84 121.76 116.88 2bf2 s ALA 84 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2bf2 s ALA 84 Cb -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2bf2 s ALA 84 CO -0.08 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.58 2bf2 n GLY 85 N 2.22 -1.70 3.79 0.00 0.00 0.11 -2.32 105.19 107.29 2bf2 n GLY 85 Ca -0.16 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.59 2bf2 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bf2 s GLN 86 N 0.00 2.36 0.00 1.61 -0.21 0.00 -4.47 119.66 118.95 2bf2 s GLN 86 Ca 0.00 -1.70 0.04 0.00 0.02 0.00 0.00 55.36 53.72 2bf2 s GLN 86 Cb 0.00 -2.15 -0.01 0.00 1.00 0.00 0.00 33.01 31.85 2bf2 s GLN 86 CO 0.00 -0.13 -0.13 0.42 -2.12 0.00 0.00 175.29 173.33 2bf2 s ILE 87 N -2.54 0.99 -0.07 1.08 1.01 -1.26 -0.71 121.20 119.69 2bf2 s ILE 87 Ca 0.44 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.49 2bf2 s ILE 87 Cb 0.01 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.64 2bf2 s ILE 87 CO 0.25 0.21 -0.17 -1.10 0.00 0.00 0.00 174.94 174.12 2bf2 s GLN 88 N -0.49 2.13 0.02 2.79 -0.21 -0.69 -4.99 119.66 118.22 2bf2 s GLN 88 Ca 0.04 -0.59 -0.05 0.00 0.02 0.00 0.00 55.36 54.78 2bf2 s GLN 88 Cb -0.05 -1.71 -0.01 0.00 1.00 0.00 0.00 33.01 32.24 2bf2 s GLN 88 CO -0.00 0.11 0.08 0.00 -2.12 0.00 0.00 175.29 173.36 2bf2 s ALA 89 N 0.45 -0.09 0.00 6.09 0.00 -1.26 -0.57 121.76 126.38 2bf2 s ALA 89 Ca -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2bf2 s ALA 89 Cb -0.16 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2bf2 s ALA 89 CO 0.05 -0.26 0.00 -0.40 0.00 0.00 0.00 175.76 175.15 2bf2 n ASP 90 N 1.09 0.00 0.04 0.00 5.75 -0.27 -5.00 116.55 118.16 2bf2 n ASP 90 Ca -0.21 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.71 2bf2 n ASP 90 Cb 0.57 0.00 0.54 0.00 -1.03 0.00 0.00 41.12 41.20 2bf2 n ASP 90 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2bf2 n GLU 91 N 0.00 0.10 -0.03 0.11 0.00 -1.26 -3.50 120.64 116.06 2bf2 n GLU 91 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 57.16 57.29 2bf2 n GLU 91 Cb 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 31.44 29.69 2bf2 n GLU 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2bf2 n ASP 92 N -1.79 0.97 -3.63 -1.84 8.00 -1.26 -4.62 116.55 112.38 2bf2 n ASP 92 Ca 0.06 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.50 2bf2 n ASP 92 Cb 0.37 1.55 -0.02 0.00 -0.02 0.00 0.00 41.12 43.00 2bf2 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bf2 s GLN 93 N -2.99 1.15 0.02 -1.24 -2.07 -1.23 -0.07 119.66 113.25 2bf2 s GLN 93 Ca -0.07 -0.55 0.07 0.00 -1.82 0.00 0.00 55.36 52.99 2bf2 s GLN 93 Cb 0.09 0.45 -0.02 0.00 -1.09 0.00 0.00 33.01 32.44 2bf2 s GLN 93 CO 0.71 -0.52 -0.22 -1.50 -1.32 0.00 0.00 175.29 172.45 2bf2 s ILE 94 N -3.38 1.74 -0.10 3.63 2.07 -0.69 -1.12 121.20 123.36 2bf2 s ILE 94 Ca 0.08 -1.14 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 2bf2 s ILE 94 Cb -0.02 -1.49 0.02 0.00 0.13 0.00 0.00 42.46 41.10 2bf2 s ILE 94 CO -0.03 0.32 -0.10 -0.60 -1.91 0.00 0.00 174.94 172.61 2bf2 s ARG 95 N -0.97 1.66 -0.13 3.50 3.52 0.27 -1.10 118.95 125.69 2bf2 s ARG 95 Ca 0.08 -0.34 -0.10 0.00 -0.13 0.00 0.00 55.73 55.24 2bf2 s ARG 95 Cb -0.09 -1.57 -0.05 0.00 -1.56 0.00 0.00 34.95 31.69 2bf2 s ARG 95 CO 0.01 -0.16 0.20 -0.06 -0.81 0.00 0.00 175.30 174.48 2bf2 s PHE 96 N 1.31 3.54 0.04 5.12 0.40 -0.28 -1.70 117.98 126.42 2bf2 s PHE 96 Ca -0.02 0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 56.74 2bf2 s PHE 96 Cb -0.14 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.28 2bf2 s PHE 96 CO -0.04 0.51 0.26 1.52 0.70 0.00 0.00 175.22 178.17 2bf2 s TYR 97 N -0.37 -0.05 0.28 0.36 -0.85 0.11 -1.10 117.35 115.74 2bf2 s TYR 97 Ca 0.15 -0.12 -0.29 0.00 -0.52 0.00 0.00 57.07 56.28 2bf2 s TYR 97 Cb -0.13 0.05 -0.09 0.00 0.38 0.00 0.00 41.96 42.17 2bf2 s TYR 97 CO 0.04 -0.48 1.06 0.12 -1.52 0.00 0.00 175.55 174.76 2bf2 s PHE 98 N -2.57 3.64 -0.01 -3.49 5.36 -0.40 -0.82 117.98 119.69 2bf2 s PHE 98 Ca -0.05 1.75 -0.04 0.00 -0.96 0.00 0.00 56.93 57.63 2bf2 s PHE 98 Cb -0.01 -3.19 -0.02 0.00 -0.34 0.00 0.00 43.02 39.46 2bf2 s PHE 98 CO -0.04 -0.32 0.45 0.22 -1.46 0.00 0.00 175.22 174.08 2bf2 h ASP 99 N 3.75 -0.12 -3.42 6.13 -0.00 -1.84 -3.48 116.42 117.44 2bf2 h ASP 99 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 2bf2 h ASP 99 Cb 1.21 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 2bf2 h ASP 99 CO 0.67 -0.01 -0.26 1.17 -0.00 0.00 0.00 179.24 180.81 2bf2 n LYS 100 N -2.79 -1.46 0.00 0.28 4.81 -1.26 -5.12 118.16 112.62 2bf2 n LYS 100 Ca -0.02 1.41 0.00 0.00 -0.87 0.00 0.00 58.31 58.83 2bf2 n LYS 100 Cb 0.05 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.71 2bf2 n LYS 100 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2bf2 n THR 101 N 0.50 0.00 0.00 3.15 -1.04 -1.26 -5.23 114.28 110.41 2bf2 n THR 101 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2bf2 n THR 101 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2bf2 n THR 101 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23