#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1b n THR 2 N 0.00 0.00 -2.91 1.12 5.66 -1.26 -4.91 114.28 111.97 1f1b n THR 2 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1f1b n THR 2 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1f1b n THR 2 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1f1b s HIS 3 N -3.00 -1.03 0.06 1.09 5.65 -1.26 -5.13 115.29 111.67 1f1b s HIS 3 Ca 0.00 0.01 -0.30 0.00 0.25 0.00 0.00 55.06 55.02 1f1b s HIS 3 Cb 0.00 0.19 -0.09 0.00 -1.18 0.00 0.00 32.58 31.51 1f1b s HIS 3 CO 0.00 -0.73 1.81 -0.51 -0.65 0.00 0.00 174.74 174.66 1f1b s ASP 4 N 1.63 6.51 0.00 9.88 1.01 -1.26 -4.96 116.67 129.47 1f1b s ASP 4 Ca 0.19 2.60 0.00 0.00 0.71 0.00 0.00 52.55 56.04 1f1b s ASP 4 Cb 0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1f1b s ASP 4 CO -0.10 -0.98 0.00 -3.20 0.21 0.00 0.00 175.17 171.10 1f1b n ASN 5 N 6.44 0.00 0.00 0.27 2.85 -1.26 -4.78 115.26 118.78 1f1b n ASN 5 Ca 0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1f1b n ASN 5 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 1f1b n ASN 5 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1f1b n LYS 6 N 0.00 0.00 -4.12 1.20 3.00 -1.26 -4.82 118.16 112.17 1f1b n LYS 6 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1f1b n LYS 6 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1f1b n LYS 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1f1b n LEU 7 N 0.00 0.00 -4.60 3.14 -0.00 -1.26 -5.11 117.00 109.16 1f1b n LEU 7 Ca 0.00 -3.03 -0.42 0.00 -0.00 0.00 0.00 56.01 52.56 1f1b n LEU 7 Cb 0.00 2.34 -0.05 0.00 -0.00 0.00 0.00 43.42 45.71 1f1b n LEU 7 CO 0.00 -0.63 0.64 0.00 -0.00 0.00 0.00 177.39 177.39 1f1b s GLN 8 N -2.99 3.87 0.00 1.96 -2.07 -1.26 -5.03 119.66 114.14 1f1b s GLN 8 Ca 0.33 0.51 0.00 0.00 -1.82 0.00 0.00 55.36 54.38 1f1b s GLN 8 Cb -0.00 -3.77 0.00 0.00 -1.09 0.00 0.00 33.01 28.15 1f1b s GLN 8 CO 0.24 -0.80 0.00 0.28 -1.32 0.00 0.00 175.29 173.69 1f1b n VAL 9 N 5.72 0.00 -4.36 3.63 0.31 -1.26 -5.04 118.33 117.33 1f1b n VAL 9 Ca 0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.15 1f1b n VAL 9 Cb 0.48 -0.47 -0.11 0.00 -0.91 0.00 0.00 33.84 32.83 1f1b n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1f1b s GLU 10 N -1.26 1.35 0.29 5.55 8.01 -1.26 -5.13 118.70 126.25 1f1b s GLU 10 Ca 0.00 -1.48 -0.29 0.00 0.01 0.00 0.00 54.97 53.21 1f1b s GLU 10 Cb 0.00 -1.42 -0.10 0.00 -4.31 0.00 0.00 34.13 28.30 1f1b s GLU 10 CO 0.00 0.28 1.16 0.00 0.01 0.00 0.00 175.26 176.71 1f1b s ALA 11 N -2.15 3.43 -0.14 5.21 0.00 -1.26 -5.06 121.76 121.80 1f1b s ALA 11 Ca 0.19 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 53.05 1f1b s ALA 11 Cb -0.05 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1f1b s ALA 11 CO 0.08 -0.30 0.34 0.96 0.00 0.00 0.00 175.76 176.84 1f1b s ILE 12 N -1.14 -0.02 -0.11 0.00 -0.00 -1.26 -5.03 121.20 113.65 1f1b s ILE 12 Ca 0.46 0.06 -0.04 0.00 -0.00 0.00 0.00 60.65 61.13 1f1b s ILE 12 Cb -0.34 -0.50 -0.01 0.00 -0.00 0.00 0.00 42.46 41.61 1f1b s ILE 12 CO 0.44 0.02 -0.07 0.50 -0.00 0.00 0.00 174.94 175.83 1f1b h LYS 13 N 6.38 0.00 -4.65 0.37 3.64 -1.97 -3.35 116.57 117.00 1f1b h LYS 13 Ca -0.32 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.73 1f1b h LYS 13 Cb 1.18 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.76 1f1b h LYS 13 CO 0.31 0.00 -0.75 0.50 -2.27 0.00 0.00 179.45 177.24 1f1b s ARG 14 N -1.79 0.58 0.00 1.90 3.52 -1.26 0.23 118.95 122.13 1f1b s ARG 14 Ca -0.06 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1f1b s ARG 14 Cb 0.01 -0.47 0.00 0.00 -1.56 0.00 0.00 34.95 32.93 1f1b s ARG 14 CO 0.09 0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 1f1b n GLY 15 N 2.02 4.33 3.73 8.12 0.00 -0.72 0.77 105.19 123.44 1f1b n GLY 15 Ca -0.19 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1f1b n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f1b s THR 16 N -2.10 4.05 -0.31 2.61 2.01 0.27 -1.07 115.64 121.10 1f1b s THR 16 Ca 0.00 1.68 0.01 0.00 0.31 0.00 0.00 61.69 63.69 1f1b s THR 16 Cb 0.00 -4.07 0.10 0.00 0.01 0.00 0.00 72.50 68.53 1f1b s THR 16 CO 0.00 0.25 0.08 -0.69 -0.69 0.00 0.00 174.62 173.56 1f1b s VAL 17 N 0.09 1.31 -0.30 3.82 1.01 0.92 -2.33 120.40 124.92 1f1b s VAL 17 Ca 0.51 -1.65 -0.27 0.00 0.00 0.00 0.00 61.98 60.56 1f1b s VAL 17 Cb -0.28 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1f1b s VAL 17 CO 0.33 -0.62 0.98 -0.63 0.00 0.00 0.00 175.10 175.16 1f1b s ILE 18 N 1.40 4.62 0.14 2.22 1.01 -1.04 -2.01 121.20 127.54 1f1b s ILE 18 Ca 0.09 1.61 0.09 0.00 0.00 0.00 0.00 60.65 62.45 1f1b s ILE 18 Cb -0.18 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1f1b s ILE 18 CO -0.19 -0.37 -0.22 -0.62 0.00 0.00 0.00 174.94 173.54 1f1b s ASP 19 N 1.58 2.90 0.00 3.58 2.15 0.61 -2.83 116.67 124.65 1f1b s ASP 19 Ca 0.41 -0.78 0.00 0.00 0.43 0.00 0.00 52.55 52.61 1f1b s ASP 19 Cb -0.13 -0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.31 1f1b s ASP 19 CO 0.13 0.07 0.00 1.41 -0.17 0.00 0.00 175.17 176.61 1f1b n HIS 20 N 0.68 0.00 -2.29 -5.34 8.25 -1.26 0.31 115.22 115.57 1f1b n HIS 20 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.88 1f1b n HIS 20 Cb 0.55 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1f1b n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1f1b s ILE 21 N -2.00 3.62 1.01 1.59 1.09 -1.06 -3.89 121.20 121.57 1f1b s ILE 21 Ca 0.00 1.18 -0.12 0.00 -1.10 0.00 0.00 60.65 60.62 1f1b s ILE 21 Cb 0.00 -3.76 0.20 0.00 -1.06 0.00 0.00 42.46 37.84 1f1b s ILE 21 CO 0.00 0.10 1.08 -2.84 -0.10 0.00 0.00 174.94 173.18 1f1b s PRO 22 N 0.94 0.26 0.01 2.79 0.02 -1.26 -0.17 135.00 137.60 1f1b s PRO 22 Ca 0.61 1.01 -0.38 0.00 0.02 0.00 0.00 61.00 62.26 1f1b s PRO 22 Cb -0.33 -1.68 -0.17 0.00 0.02 0.00 0.00 34.50 32.34 1f1b s PRO 22 CO 0.31 -2.97 1.39 0.00 -0.33 0.00 0.00 177.00 175.39 1f1b n ALA 23 N -4.41 -1.07 -0.60 -1.55 0.00 -1.26 -1.78 120.51 109.84 1f1b n ALA 23 Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1f1b n ALA 23 Cb 0.54 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1f1b n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1f1b n GLN 24 N 2.93 -0.49 0.00 0.00 1.13 -1.26 -4.77 117.38 114.91 1f1b n GLN 24 Ca 0.20 0.12 0.13 0.00 -1.94 0.00 0.00 57.00 55.51 1f1b n GLN 24 Cb 0.17 -4.52 0.78 0.00 0.11 0.00 0.00 30.24 26.78 1f1b n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1f1b n ILE 25 N -1.91 0.00 0.16 5.09 2.08 -0.73 -3.59 119.36 120.45 1f1b n ILE 25 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 1f1b n ILE 25 Cb 0.12 -0.55 -0.03 0.00 -0.75 0.00 0.00 39.64 38.43 1f1b n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1f1b h GLY 26 N 4.34 -0.49 0.99 7.39 0.00 -1.86 -1.78 103.07 111.65 1f1b h GLY 26 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.58 1f1b h GLY 26 CO 0.00 -0.18 0.44 -2.75 0.00 0.00 0.00 176.54 174.05 1f1b h PHE 27 N -1.08 0.00 0.01 5.60 3.04 -1.98 0.56 116.94 123.09 1f1b h PHE 27 Ca -0.05 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 1f1b h PHE 27 Cb 0.36 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1f1b h PHE 27 CO 0.00 0.00 -0.00 0.87 -2.02 0.00 0.00 178.31 177.16 1f1b h LYS 28 N 0.00 -0.01 -1.23 1.11 1.79 -1.69 -3.25 116.57 113.29 1f1b h LYS 28 Ca 0.12 0.00 0.36 0.00 -2.18 0.00 0.00 60.65 58.95 1f1b h LYS 28 Cb 0.99 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.59 1f1b h LYS 28 CO -0.00 -0.01 0.97 -0.07 -1.08 0.00 0.00 179.45 179.26 1f1b h LEU 29 N -0.15 0.00 -1.27 2.94 3.38 -0.77 0.91 115.31 120.36 1f1b h LEU 29 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f1b h LEU 29 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1f1b h LEU 29 CO 0.00 0.00 0.47 0.25 0.09 0.00 0.00 178.44 179.26 1f1b h LEU 30 N 0.00 0.84 0.00 1.67 5.85 -0.98 -2.32 115.31 120.38 1f1b h LEU 30 Ca 0.59 -0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.99 1f1b h LEU 30 Cb 2.51 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 43.27 1f1b h LEU 30 CO -0.01 0.62 -2.09 -1.54 -0.34 0.00 0.00 178.44 175.08 1f1b n SER 31 N -4.42 1.35 0.29 1.25 3.41 0.28 -0.49 113.62 115.29 1f1b n SER 31 Ca 0.08 -0.02 0.17 0.00 -0.26 0.00 0.00 58.87 58.84 1f1b n SER 31 Cb 0.04 0.68 0.88 0.00 -0.26 0.00 0.00 64.21 65.55 1f1b n SER 31 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1f1b h LEU 32 N 0.00 0.00 -2.86 1.04 -0.00 -0.56 -0.91 115.31 112.02 1f1b h LEU 32 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1f1b h LEU 32 Cb 1.92 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.56 1f1b h LEU 32 CO 0.01 0.05 -0.25 0.49 -0.00 0.00 0.00 178.44 178.74 1f1b n PHE 33 N -3.41 0.00 -3.35 1.13 0.99 -0.87 -5.01 117.46 106.94 1f1b n PHE 33 Ca -0.02 -0.95 -0.18 0.00 -0.00 0.00 0.00 57.45 56.31 1f1b n PHE 33 Cb 0.19 -0.16 -0.05 0.00 -1.00 0.00 0.00 39.48 38.46 1f1b n PHE 33 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1f1b n LYS 34 N -1.04 -0.94 0.26 -1.08 4.76 -0.35 -4.75 118.16 115.03 1f1b n LYS 34 Ca 0.14 0.05 0.18 0.00 -2.87 0.00 0.00 58.31 55.81 1f1b n LYS 34 Cb 0.69 -2.02 0.89 0.00 -1.84 0.00 0.00 35.03 32.75 1f1b n LYS 34 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1f1b h LEU 35 N -0.45 0.00 0.00 -0.35 3.38 -0.99 -2.74 115.31 114.16 1f1b h LEU 35 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1f1b h LEU 35 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1f1b h LEU 35 CO 0.40 0.00 0.00 1.07 0.09 0.00 0.00 178.44 180.00 1f1b n THR 36 N -2.80 0.00 0.13 0.22 5.66 -1.22 -3.24 114.28 113.03 1f1b n THR 36 Ca -0.01 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.77 1f1b n THR 36 Cb 0.12 -0.13 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 1f1b n THR 36 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1f1b h GLU 37 N 0.00 0.47 -6.31 1.09 4.39 -1.84 -3.45 114.58 108.92 1f1b h GLU 37 Ca 0.00 -0.77 -0.58 0.00 0.34 0.00 0.00 59.36 58.35 1f1b h GLU 37 Cb 0.00 0.28 0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1f1b h GLU 37 CO 0.00 1.36 1.15 2.41 -1.16 0.00 0.00 179.01 182.77 1f1b n THR 38 N -3.67 0.64 0.46 1.13 -1.04 -1.20 -4.84 114.28 105.77 1f1b n THR 38 Ca -0.14 -0.12 0.01 0.00 -2.04 0.00 0.00 64.05 61.77 1f1b n THR 38 Cb 1.07 -2.05 0.11 0.00 -1.82 0.00 0.00 70.33 67.64 1f1b n THR 38 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1f1b n ASP 39 N 6.92 2.41 -4.81 8.00 2.03 -1.26 -4.85 116.55 125.00 1f1b n ASP 39 Ca 0.21 -2.28 -0.29 0.00 0.52 0.00 0.00 54.79 52.96 1f1b n ASP 39 Cb 0.34 -0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 40.13 1f1b n ASP 39 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1f1b s GLN 40 N -1.45 2.97 0.15 -0.67 -0.44 -1.26 -5.05 119.66 113.91 1f1b s GLN 40 Ca 0.15 -0.73 -0.33 0.00 -2.50 0.00 0.00 55.36 51.95 1f1b s GLN 40 Cb 0.12 -2.74 -0.17 0.00 -1.64 0.00 0.00 33.01 28.59 1f1b s GLN 40 CO 0.04 0.54 1.01 -2.13 0.50 0.00 0.00 175.29 175.25 1f1b n ARG 41 N 0.07 0.71 -3.74 1.67 0.63 -1.26 -4.89 116.66 109.85 1f1b n ARG 41 Ca -0.08 0.25 -0.29 0.00 -0.92 0.00 0.00 57.85 56.81 1f1b n ARG 41 Cb 0.53 -1.64 -0.16 0.00 0.45 0.00 0.00 32.46 31.64 1f1b n ARG 41 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1f1b s ILE 42 N -0.36 0.69 0.32 5.15 1.01 -1.26 -3.21 121.20 123.55 1f1b s ILE 42 Ca 0.74 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 1f1b s ILE 42 Cb -0.94 -1.31 -0.08 0.00 0.01 0.00 0.00 42.46 40.13 1f1b s ILE 42 CO 0.54 -0.39 0.71 -0.89 0.00 0.00 0.00 174.94 174.91 1f1b s THR 43 N 1.75 4.73 -0.19 2.92 2.01 0.82 -4.92 115.64 122.76 1f1b s THR 43 Ca 0.03 0.82 -0.07 0.00 0.31 0.00 0.00 61.69 62.78 1f1b s THR 43 Cb -0.17 -3.63 0.09 0.00 0.01 0.00 0.00 72.50 68.79 1f1b s THR 43 CO -0.16 -0.23 0.41 -0.63 -0.69 0.00 0.00 174.62 173.33 1f1b s ILE 44 N -2.03 -0.58 -0.25 1.82 1.09 -1.26 -0.85 121.20 119.14 1f1b s ILE 44 Ca 0.53 0.17 -0.03 0.00 -1.10 0.00 0.00 60.65 60.22 1f1b s ILE 44 Cb -0.10 -0.65 0.02 0.00 -1.06 0.00 0.00 42.46 40.66 1f1b s ILE 44 CO 0.20 0.07 -0.04 -0.83 -0.10 0.00 0.00 174.94 174.24 1f1b s GLY 45 N 2.49 1.64 0.52 6.18 0.00 0.15 -5.00 107.32 113.31 1f1b s GLY 45 Ca -0.02 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.31 1f1b s GLY 45 CO -0.13 0.52 0.74 1.08 0.00 0.00 0.00 173.10 175.31 1f1b s LEU 46 N 1.37 3.37 -0.26 0.66 2.01 -1.26 -0.17 118.68 124.40 1f1b s LEU 46 Ca 0.02 -0.01 -0.03 0.00 0.01 0.00 0.00 54.13 54.12 1f1b s LEU 46 Cb -0.16 -2.89 0.03 0.00 0.01 0.00 0.00 46.19 43.18 1f1b s LEU 46 CO -0.03 -1.04 0.08 0.59 1.01 0.00 0.00 176.35 176.96 1f1b n ASN 47 N -2.26 -0.29 -4.80 2.29 3.02 -1.22 -4.86 115.26 107.15 1f1b n ASN 47 Ca 0.07 -0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.13 1f1b n ASN 47 Cb 0.59 -0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 1f1b n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1f1b s LEU 48 N -1.83 3.84 0.90 3.41 1.43 -0.46 -4.55 118.68 121.42 1f1b s LEU 48 Ca 0.11 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 1f1b s LEU 48 Cb -0.07 -4.56 0.13 0.00 0.03 0.00 0.00 46.19 41.72 1f1b s LEU 48 CO 0.14 -0.76 1.10 -2.16 0.23 0.00 0.00 176.35 174.90 1f1b s PRO 49 N -3.26 1.27 -0.38 1.29 0.04 -1.25 0.95 135.00 133.66 1f1b s PRO 49 Ca 0.67 0.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 1f1b s PRO 49 Cb -0.16 -1.83 0.19 0.00 0.04 0.00 0.00 34.50 32.75 1f1b s PRO 49 CO 0.20 -2.18 0.94 -1.54 0.04 0.00 0.00 177.00 174.45 1f1b s SER 50 N -3.65 -0.71 0.05 6.66 1.04 0.51 -4.67 113.70 112.92 1f1b s SER 50 Ca 0.63 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1f1b s SER 50 Cb -0.17 0.92 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1f1b s SER 50 CO 0.56 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.33 1f1b n GLY 51 N 3.38 2.27 0.02 7.32 0.00 -1.26 0.14 105.19 117.05 1f1b n GLY 51 Ca 0.10 0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.52 1f1b n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f1b n GLU 52 N 14.00 0.84 -0.09 1.61 0.28 -1.26 -3.11 120.64 132.91 1f1b n GLU 52 Ca 0.00 -0.04 0.09 0.00 -0.16 0.00 0.00 57.16 57.05 1f1b n GLU 52 Cb 0.00 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.50 1f1b n GLU 52 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1f1b n MET 53 N -1.05 1.88 0.00 3.44 2.81 0.36 -5.05 117.12 119.52 1f1b n MET 53 Ca 0.21 -1.82 0.00 0.00 -1.81 0.00 0.00 57.70 54.28 1f1b n MET 53 Cb 0.16 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1f1b n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f1b n GLY 54 N 1.01 2.29 3.74 3.03 0.00 -0.10 -4.52 105.19 110.65 1f1b n GLY 54 Ca 0.13 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1f1b n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f1b s ARG 55 N 0.00 4.33 -0.03 1.61 0.52 -1.24 0.19 118.95 124.33 1f1b s ARG 55 Ca 0.00 2.19 -0.07 0.00 -0.52 0.00 0.00 55.73 57.33 1f1b s ARG 55 Cb 0.00 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.33 1f1b s ARG 55 CO 0.00 -0.34 0.15 -1.59 0.02 0.00 0.00 175.30 173.55 1f1b s LYS 56 N -0.30 0.35 0.58 3.54 -2.85 0.27 -4.33 119.74 116.99 1f1b s LYS 56 Ca 0.58 -0.09 -0.02 0.00 -1.00 0.00 0.00 55.97 55.43 1f1b s LYS 56 Cb -0.39 0.15 0.03 0.00 -2.06 0.00 0.00 37.83 35.55 1f1b s LYS 56 CO 0.41 -0.07 0.84 -0.51 0.10 0.00 0.00 175.35 176.12 1f1b s ASP 57 N -0.67 5.34 -0.29 0.03 1.11 0.76 -1.36 116.67 121.59 1f1b s ASP 57 Ca -0.08 0.32 -0.15 0.00 0.18 0.00 0.00 52.55 52.82 1f1b s ASP 57 Cb -0.04 -1.24 0.11 0.00 1.07 0.00 0.00 42.92 42.82 1f1b s ASP 57 CO 0.01 -1.15 0.77 -0.22 1.18 0.00 0.00 175.17 175.76 1f1b s LEU 58 N -4.89 -0.86 0.12 1.23 2.96 0.76 -2.55 118.68 115.44 1f1b s LEU 58 Ca 0.55 1.31 0.09 0.00 -0.22 0.00 0.00 54.13 55.87 1f1b s LEU 58 Cb -0.10 2.17 -0.04 0.00 0.50 0.00 0.00 46.19 48.71 1f1b s LEU 58 CO 0.41 -0.20 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.43 1f1b s ILE 59 N 1.88 2.81 -0.15 6.68 1.01 -1.13 0.32 121.20 132.63 1f1b s ILE 59 Ca -0.08 -1.52 -0.04 0.00 0.00 0.00 0.00 60.65 59.00 1f1b s ILE 59 Cb -0.06 -2.29 0.08 0.00 0.01 0.00 0.00 42.46 40.20 1f1b s ILE 59 CO -0.18 0.10 0.26 -0.54 0.00 0.00 0.00 174.94 174.57 1f1b s LYS 60 N -2.15 0.17 -0.41 2.79 1.02 -0.03 -2.49 119.74 118.64 1f1b s LYS 60 Ca 0.18 0.60 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1f1b s LYS 60 Cb -0.10 -0.35 0.12 0.00 -0.52 0.00 0.00 37.83 36.97 1f1b s LYS 60 CO 0.10 -0.40 0.17 0.96 -0.92 0.00 0.00 175.35 175.26 1f1b s ILE 61 N 2.40 1.71 0.64 2.17 -0.00 -0.98 -0.13 121.20 127.02 1f1b s ILE 61 Ca 0.03 -2.42 -0.18 0.00 -0.00 0.00 0.00 60.65 58.09 1f1b s ILE 61 Cb -0.13 -2.23 -0.01 0.00 -0.00 0.00 0.00 42.46 40.09 1f1b s ILE 61 CO -0.10 -0.77 1.25 -1.83 -0.00 0.00 0.00 174.94 173.49 1f1b s GLU 62 N 0.61 2.65 -1.27 0.37 -1.05 -1.20 -2.61 118.70 116.21 1f1b s GLU 62 Ca 0.14 1.92 0.00 0.00 -0.15 0.00 0.00 54.97 56.88 1f1b s GLU 62 Cb -0.22 -1.88 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 1f1b s GLU 62 CO -0.07 -1.48 0.00 0.09 0.95 0.00 0.00 175.26 174.75 1f1b n ASN 63 N -1.92 -4.94 -3.95 0.83 4.13 0.23 -4.69 115.26 104.96 1f1b n ASN 63 Ca 0.15 0.30 -0.18 0.00 1.68 0.00 0.00 54.58 56.52 1f1b n ASN 63 Cb 0.49 -3.49 -0.15 0.00 -1.54 0.00 0.00 39.78 35.09 1f1b n ASN 63 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1f1b s THR 64 N -2.28 0.52 -0.05 3.41 2.01 -1.07 -4.95 115.64 113.23 1f1b s THR 64 Ca 0.00 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1f1b s THR 64 Cb 0.00 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1f1b s THR 64 CO 0.00 0.17 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.61 1f1b s PHE 65 N 0.21 1.51 0.16 4.92 0.40 -1.26 -0.56 117.98 123.35 1f1b s PHE 65 Ca -0.02 -0.49 -0.34 0.00 -0.60 0.00 0.00 56.93 55.47 1f1b s PHE 65 Cb -0.07 -1.06 -0.14 0.00 0.51 0.00 0.00 43.02 42.26 1f1b s PHE 65 CO -0.00 -0.22 1.52 1.28 0.70 0.00 0.00 175.22 178.50 1f1b n LEU 66 N 3.50 2.86 -4.74 -0.37 4.77 -1.26 -4.94 117.00 116.82 1f1b n LEU 66 Ca -0.20 1.09 -0.35 0.00 -0.03 0.00 0.00 56.01 56.52 1f1b n LEU 66 Cb 0.53 -1.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.29 1f1b n LEU 66 CO 0.25 -0.43 0.82 -0.44 -1.33 0.00 0.00 177.39 176.26 1f1b s SER 67 N 0.77 4.64 0.00 -1.43 0.01 -1.26 -4.88 113.70 111.56 1f1b s SER 67 Ca 0.78 2.36 0.00 0.00 1.31 0.00 0.00 55.95 60.41 1f1b s SER 67 Cb -0.72 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 62.92 1f1b s SER 67 CO 0.40 -1.96 0.09 -0.62 0.41 0.00 0.00 173.24 171.57 1f1b n GLU 68 N -2.24 0.00 0.00 12.44 4.71 -1.26 -0.40 120.64 133.89 1f1b n GLU 68 Ca 0.13 0.09 0.02 0.00 -0.01 0.00 0.00 57.16 57.40 1f1b n GLU 68 Cb 0.50 -0.24 0.12 0.00 -1.01 0.00 0.00 31.44 30.81 1f1b n GLU 68 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1f1b n ASP 69 N -0.43 0.00 -0.07 1.62 9.92 -1.26 -3.48 116.55 122.85 1f1b n ASP 69 Ca 0.00 -0.74 -0.13 0.00 -0.53 0.00 0.00 54.79 53.39 1f1b n ASP 69 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 1f1b n ASP 69 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1f1b h GLN 70 N 0.00 0.51 -0.52 -1.24 1.08 -1.06 0.35 115.11 114.23 1f1b h GLN 70 Ca 0.00 -0.26 -0.07 0.00 -1.45 0.00 0.00 58.65 56.87 1f1b h GLN 70 Cb 0.00 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1f1b h GLN 70 CO 0.00 0.84 0.03 0.28 -0.95 0.00 0.00 178.83 179.02 1f1b h VAL 71 N 0.20 1.24 -0.57 -0.54 2.07 -1.69 0.66 116.25 117.62 1f1b h VAL 71 Ca 0.04 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 1f1b h VAL 71 Cb 0.73 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1f1b h VAL 71 CO 0.05 0.36 -0.06 0.44 0.02 0.00 0.00 177.57 178.37 1f1b h ASP 72 N 0.80 1.04 0.14 0.57 5.19 -1.71 -1.80 116.42 120.64 1f1b h ASP 72 Ca 0.16 -0.32 -0.09 0.00 -0.62 0.00 0.00 57.03 56.16 1f1b h ASP 72 Cb 0.44 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1f1b h ASP 72 CO 0.02 1.12 -0.31 -0.61 -3.12 0.00 0.00 179.24 176.34 1f1b h GLN 73 N 0.94 0.26 0.00 3.56 4.15 0.59 -2.08 115.11 122.53 1f1b h GLN 73 Ca 0.15 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1f1b h GLN 73 Cb 0.63 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1f1b h GLN 73 CO 0.04 0.55 0.00 -0.11 -1.93 0.00 0.00 178.83 177.38 1f1b n LEU 74 N -4.11 0.00 -0.08 -2.39 7.94 0.22 -3.62 117.00 114.97 1f1b n LEU 74 Ca -0.01 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.76 1f1b n LEU 74 Cb 0.40 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.26 1f1b n LEU 74 CO 0.41 0.00 -0.02 0.00 -1.11 0.00 0.00 177.39 176.66 1f1b h ALA 75 N 3.31 0.08 -0.88 1.96 0.00 -0.84 -3.03 119.26 119.86 1f1b h ALA 75 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 54.91 54.36 1f1b h ALA 75 Cb 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1f1b h ALA 75 CO 0.00 0.26 0.57 -0.07 0.00 0.00 0.00 179.25 180.01 1f1b h LEU 76 N -1.00 0.83 0.00 0.00 3.38 -1.71 -2.39 115.31 114.42 1f1b h LEU 76 Ca -0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1f1b h LEU 76 Cb 0.87 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1f1b h LEU 76 CO -0.06 0.51 -0.54 1.88 0.09 0.00 0.00 178.44 180.32 1f1b h TYR 77 N 0.93 0.00 -0.66 1.13 0.99 -1.73 -3.43 116.97 114.20 1f1b h TYR 77 Ca 0.39 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.01 1f1b h TYR 77 Cb 0.30 0.00 -0.15 0.00 1.00 0.00 0.00 36.73 37.88 1f1b h TYR 77 CO -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 178.16 177.77 1f1b n ALA 78 N -1.87 -2.37 -0.30 3.88 0.00 -1.07 -4.91 120.51 113.88 1f1b n ALA 78 Ca 0.03 -0.77 0.10 0.00 0.00 0.00 0.00 53.44 52.80 1f1b n ALA 78 Cb 0.46 -1.98 0.26 0.00 0.00 0.00 0.00 19.45 18.19 1f1b n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1f1b h PRO 79 N 4.63 0.47 -0.00 0.00 0.13 -1.63 -1.49 132.00 134.10 1f1b h PRO 79 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1f1b h PRO 79 Cb 1.12 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1f1b h PRO 79 CO 0.01 0.31 -0.18 0.00 -0.23 0.00 0.00 178.00 177.90 1f1b n GLN 80 N -4.98 0.67 -0.69 0.86 0.00 -1.26 -4.82 117.38 107.16 1f1b n GLN 80 Ca 0.19 -0.30 -0.31 0.00 0.00 0.00 0.00 57.00 56.58 1f1b n GLN 80 Cb 0.55 -1.49 0.16 0.00 0.00 0.00 0.00 30.24 29.46 1f1b n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1f1b n ALA 81 N -0.90 -1.09 -3.30 2.61 0.00 -0.56 -4.88 120.51 112.38 1f1b n ALA 81 Ca 0.13 -0.57 -0.17 0.00 0.00 0.00 0.00 53.44 52.83 1f1b n ALA 81 Cb 0.31 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 17.47 1f1b n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1f1b s THR 82 N -2.60 0.32 -0.22 0.00 2.01 0.15 -4.51 115.64 110.79 1f1b s THR 82 Ca 0.65 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.49 1f1b s THR 82 Cb -0.23 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1f1b s THR 82 CO 0.59 0.14 0.12 -0.69 -0.69 0.00 0.00 174.62 174.09 1f1b s VAL 83 N 0.52 5.11 -0.22 3.82 1.01 -0.40 -0.28 120.40 129.94 1f1b s VAL 83 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1f1b s VAL 83 Cb -0.09 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1f1b s VAL 83 CO -0.01 0.39 -0.13 0.20 0.00 0.00 0.00 175.10 175.55 1f1b s ASN 84 N 0.85 3.88 -0.24 3.32 0.01 -0.85 -0.47 114.94 121.44 1f1b s ASN 84 Ca 0.06 -0.89 -0.18 0.00 -0.71 0.00 0.00 52.86 51.15 1f1b s ASN 84 Cb -0.13 -1.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.93 1f1b s ASN 84 CO 0.03 -0.09 0.50 -0.13 -1.51 0.00 0.00 177.10 175.90 1f1b s ARG 85 N 1.27 4.10 0.21 -0.60 0.52 0.10 -0.05 118.95 124.50 1f1b s ARG 85 Ca 0.00 0.33 0.06 0.00 -0.52 0.00 0.00 55.73 55.60 1f1b s ARG 85 Cb -0.16 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 1f1b s ARG 85 CO -0.08 -0.29 0.17 0.42 0.02 0.00 0.00 175.30 175.54 1f1b s ILE 86 N 2.09 4.45 -0.29 1.52 1.09 -0.23 -1.77 121.20 128.06 1f1b s ILE 86 Ca 0.21 -1.25 -0.20 0.00 -1.10 0.00 0.00 60.65 58.32 1f1b s ILE 86 Cb -0.16 -3.34 0.16 0.00 -1.06 0.00 0.00 42.46 38.07 1f1b s ILE 86 CO 0.09 -0.23 1.14 -0.62 -0.10 0.00 0.00 174.94 175.22 1f1b s ASP 87 N -3.48 -0.30 -1.42 3.58 2.15 0.24 -1.75 116.67 115.68 1f1b s ASP 87 Ca 0.32 0.52 -0.09 0.00 0.43 0.00 0.00 52.55 53.73 1f1b s ASP 87 Cb -0.09 0.89 0.05 0.00 -0.30 0.00 0.00 42.92 43.46 1f1b s ASP 87 CO 0.24 -0.09 0.96 -3.20 -0.17 0.00 0.00 175.17 172.91 1f1b n ASN 88 N 2.84 -4.07 -2.57 -0.34 2.85 -0.38 0.44 115.26 114.03 1f1b n ASN 88 Ca -0.15 -0.73 -0.17 0.00 -0.11 0.00 0.00 54.58 53.41 1f1b n ASN 88 Cb 0.57 -4.23 -0.00 0.00 1.24 0.00 0.00 39.78 37.35 1f1b n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1f1b n TYR 89 N -4.62 -1.38 -4.32 1.20 4.01 0.13 -3.19 117.16 109.00 1f1b n TYR 89 Ca -0.07 0.10 -0.24 0.00 -0.16 0.00 0.00 57.90 57.53 1f1b n TYR 89 Cb 0.58 -3.34 -0.13 0.00 -0.31 0.00 0.00 39.34 36.14 1f1b n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1f1b s GLU 90 N -5.20 1.13 -0.07 -0.72 0.41 0.17 0.12 118.70 114.54 1f1b s GLU 90 Ca 0.07 -1.12 -0.03 0.00 -0.41 0.00 0.00 54.97 53.48 1f1b s GLU 90 Cb -0.03 -1.36 -0.10 0.00 -1.78 0.00 0.00 34.13 30.86 1f1b s GLU 90 CO 0.09 0.32 2.82 0.28 -0.49 0.00 0.00 175.26 178.27 1f1b n VAL 91 N 1.19 2.66 0.09 2.63 0.31 -1.26 -0.60 118.33 123.35 1f1b n VAL 91 Ca -0.19 -1.31 0.02 0.00 -0.01 0.00 0.00 64.34 62.85 1f1b n VAL 91 Cb 0.54 -1.72 0.13 0.00 -0.91 0.00 0.00 33.84 31.87 1f1b n VAL 91 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1f1b n VAL 92 N 1.78 0.54 -3.21 2.52 0.24 -0.97 -3.80 118.33 115.45 1f1b n VAL 92 Ca 0.27 0.64 -0.06 0.00 -2.04 0.00 0.00 64.34 63.14 1f1b n VAL 92 Cb 0.70 -1.64 -0.03 0.00 -1.47 0.00 0.00 33.84 31.40 1f1b n VAL 92 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1f1b s GLY 93 N -2.66 -0.78 0.03 7.63 0.00 -0.73 -4.99 107.32 105.83 1f1b s GLY 93 Ca -0.01 -0.35 -0.28 0.00 0.00 0.00 0.00 44.72 44.08 1f1b s GLY 93 CO 0.04 3.31 0.90 0.54 0.00 0.00 0.00 173.10 177.89 1f1b s LYS 94 N 1.51 4.57 -0.03 2.90 1.02 -1.25 0.03 119.74 128.50 1f1b s LYS 94 Ca 0.19 1.29 -0.01 0.00 0.02 0.00 0.00 55.97 57.46 1f1b s LYS 94 Cb -0.07 -3.42 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1f1b s LYS 94 CO -0.06 0.10 0.06 -1.12 -0.92 0.00 0.00 175.35 173.41 1f1b s SER 95 N 0.52 0.01 -0.00 2.83 0.01 0.38 -4.98 113.70 112.47 1f1b s SER 95 Ca 0.46 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.83 1f1b s SER 95 Cb -0.21 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1f1b s SER 95 CO 0.26 -0.13 0.11 -0.60 0.41 0.00 0.00 173.24 173.29 1f1b s ARG 96 N 1.08 3.16 0.15 12.44 6.06 -1.26 -1.28 118.95 139.29 1f1b s ARG 96 Ca -0.09 -0.45 -0.11 0.00 -2.50 0.00 0.00 55.73 52.58 1f1b s ARG 96 Cb -0.12 -2.92 -0.07 0.00 0.06 0.00 0.00 34.95 31.90 1f1b s ARG 96 CO -0.04 0.65 0.50 -1.25 -2.50 0.00 0.00 175.30 172.66 1f1b s PRO 97 N -1.80 3.85 -0.03 5.12 0.04 -1.26 -5.01 135.00 135.92 1f1b s PRO 97 Ca 0.24 0.31 0.06 0.00 0.04 0.00 0.00 61.00 61.65 1f1b s PRO 97 Cb -0.12 -2.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 1f1b s PRO 97 CO 0.15 0.46 -0.20 -1.12 0.04 0.00 0.00 177.00 176.34 1f1b s SER 98 N -1.93 3.58 0.11 6.66 0.01 -1.26 -5.00 113.70 115.87 1f1b s SER 98 Ca 0.39 -0.33 -0.31 0.00 1.31 0.00 0.00 55.95 57.00 1f1b s SER 98 Cb -0.14 -0.61 -0.09 0.00 0.21 0.00 0.00 66.02 65.40 1f1b s SER 98 CO 0.20 0.33 1.61 -0.76 0.41 0.00 0.00 173.24 175.02 1f1b s LEU 99 N -0.74 4.37 0.00 2.44 1.43 -1.26 -4.62 118.68 120.30 1f1b s LEU 99 Ca 0.11 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 1f1b s LEU 99 Cb -0.10 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 42.70 1f1b s LEU 99 CO 0.00 -0.85 0.85 -0.81 0.23 0.00 0.00 176.35 175.77 1f1b n PRO 100 N 4.84 -1.16 0.06 1.29 -0.04 -1.26 -5.00 135.00 133.73 1f1b n PRO 100 Ca 0.15 -1.32 -0.07 0.00 -0.04 0.00 0.00 63.50 62.22 1f1b n PRO 100 Cb 0.40 -0.94 -0.11 0.00 -0.04 0.00 0.00 33.50 32.81 1f1b n PRO 100 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1f1b h GLU 101 N 0.00 0.01 -2.20 0.54 3.07 -1.94 -3.41 114.58 110.64 1f1b h GLU 101 Ca -0.28 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.51 1f1b h GLU 101 Cb 0.79 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.49 1f1b h GLU 101 CO 0.20 0.99 0.04 -0.98 -1.40 0.00 0.00 179.01 177.85 1f1b s ARG 102 N -2.75 0.76 -0.35 2.33 1.70 -1.26 -0.03 118.95 119.35 1f1b s ARG 102 Ca 0.01 0.82 -0.13 0.00 -0.47 0.00 0.00 55.73 55.96 1f1b s ARG 102 Cb 0.10 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 1f1b s ARG 102 CO 0.82 -0.11 0.24 0.42 -1.08 0.00 0.00 175.30 175.59 1f1b s ILE 103 N 0.20 5.16 0.08 4.99 -1.09 0.69 -4.87 121.20 126.37 1f1b s ILE 103 Ca -0.01 -0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 57.97 1f1b s ILE 103 Cb -0.04 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 37.09 1f1b s ILE 103 CO 0.02 -0.05 0.42 -1.81 -1.23 0.00 0.00 174.94 172.29 1f1b s ASP 104 N 1.70 6.67 0.00 3.58 -0.00 -1.26 -1.12 116.67 126.23 1f1b s ASP 104 Ca 0.06 0.83 0.00 0.00 -0.00 0.00 0.00 52.55 53.44 1f1b s ASP 104 Cb -0.18 -2.19 0.00 0.00 -0.00 0.00 0.00 42.92 40.55 1f1b s ASP 104 CO 0.10 0.17 0.00 -0.46 -0.00 0.00 0.00 175.17 174.98 1f1b n ASN 105 N 0.93 0.00 -0.08 0.27 0.23 0.49 -4.61 115.26 112.49 1f1b n ASN 105 Ca -0.08 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.74 1f1b n ASN 105 Cb 0.52 -0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.10 1f1b n ASN 105 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1f1b n VAL 106 N 0.97 1.61 -1.25 3.53 3.14 -1.26 -4.70 118.33 120.36 1f1b n VAL 106 Ca 0.00 -0.33 -0.30 0.00 -2.96 0.00 0.00 64.34 60.75 1f1b n VAL 106 Cb 0.00 -1.86 0.13 0.00 -1.06 0.00 0.00 33.84 31.05 1f1b n VAL 106 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1f1b s LEU 107 N -7.42 2.31 -0.14 6.55 1.43 -1.26 -5.07 118.68 115.07 1f1b s LEU 107 Ca -0.29 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.26 1f1b s LEU 107 Cb 0.08 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.43 1f1b s LEU 107 CO 0.63 -2.54 -0.01 -0.69 0.23 0.00 0.00 176.35 173.96 1f1b s VAL 108 N -2.97 0.69 0.21 -1.59 1.01 -1.26 -4.76 120.40 111.74 1f1b s VAL 108 Ca 0.63 -0.32 -0.32 0.00 0.00 0.00 0.00 61.98 61.97 1f1b s VAL 108 Cb -0.17 -0.94 -0.14 0.00 0.00 0.00 0.00 36.38 35.13 1f1b s VAL 108 CO 0.57 0.10 1.35 0.00 0.00 0.00 0.00 175.10 177.12 1f1b h PRO 110 N 4.11 0.00 -6.41 0.00 0.11 -1.94 -3.43 132.00 124.43 1f1b h PRO 110 Ca -0.45 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 1f1b h PRO 110 Cb 1.29 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 1f1b h PRO 110 CO 0.75 0.16 1.12 1.21 -0.21 0.00 0.00 178.00 181.03 1f1b s ASN 111 N -6.08 6.28 0.28 -2.05 3.84 -1.26 -4.87 114.94 111.08 1f1b s ASN 111 Ca 0.02 1.10 -0.04 0.00 0.21 0.00 0.00 52.86 54.15 1f1b s ASN 111 Cb 0.09 -2.54 0.36 0.00 -0.55 0.00 0.00 41.25 38.62 1f1b s ASN 111 CO 0.62 -1.43 1.95 0.77 -2.79 0.00 0.00 177.10 176.22 1f1b h SER 112 N 11.06 1.04 -0.05 -4.21 4.64 -2.02 -0.84 113.55 123.16 1f1b h SER 112 Ca -0.30 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1f1b h SER 112 Cb 1.13 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1f1b h SER 112 CO 1.05 0.76 0.00 -3.20 -0.87 0.00 0.00 176.83 174.57 1f1b n ASN 113 N -4.39 0.40 -4.70 4.97 5.15 -1.26 -4.83 115.26 110.59 1f1b n ASN 113 Ca 0.10 -2.01 -0.42 0.00 -0.60 0.00 0.00 54.58 51.65 1f1b n ASN 113 Cb 0.03 -0.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.16 1f1b n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f1b h ILE 115 N 4.81 0.00 -0.66 0.00 6.09 -1.88 -2.58 117.51 123.29 1f1b h ILE 115 Ca -0.38 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.02 1f1b h ILE 115 Cb 1.20 0.52 -0.03 0.00 0.47 0.00 0.00 36.82 38.98 1f1b h ILE 115 CO 0.80 0.00 0.10 0.77 -3.07 0.00 0.00 178.15 176.75 1f1b h SER 116 N 0.00 1.05 -0.32 2.19 4.64 -1.91 -2.21 113.55 116.98 1f1b h SER 116 Ca 0.00 -0.27 0.07 0.00 -0.47 0.00 0.00 61.79 61.13 1f1b h SER 116 Cb 0.26 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 61.99 1f1b h SER 116 CO 0.00 1.05 -0.19 0.45 -0.87 0.00 0.00 176.83 177.27 1f1b h HIS 117 N 1.01 -0.48 0.37 4.77 3.86 -1.80 -3.28 115.15 119.61 1f1b h HIS 117 Ca 0.20 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1f1b h HIS 117 Cb 0.45 0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1f1b h HIS 117 CO 0.03 -0.26 -0.18 0.00 0.86 0.00 0.00 177.93 178.38 1f1b h ALA 118 N 1.05 -0.50 -2.34 2.45 0.00 -1.74 -3.46 119.26 114.72 1f1b h ALA 118 Ca 0.17 -0.17 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1f1b h ALA 118 Cb 0.40 0.19 0.07 0.00 0.00 0.00 0.00 17.79 18.45 1f1b h ALA 118 CO -0.41 -0.52 0.38 -1.21 0.00 0.00 0.00 179.25 177.49 1f1b s GLU 119 N -3.75 3.27 -1.24 0.00 0.41 -0.84 -4.97 118.70 111.57 1f1b s GLU 119 Ca -0.11 1.16 -0.19 0.00 -0.41 0.00 0.00 54.97 55.42 1f1b s GLU 119 Cb 0.01 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 1f1b s GLU 119 CO 0.37 -0.85 1.89 -0.35 -0.49 0.00 0.00 175.26 175.83 1f1b n PRO 120 N -2.19 2.56 -3.98 0.39 -0.04 -1.26 -4.80 135.00 125.67 1f1b n PRO 120 Ca 0.08 -2.82 -0.09 0.00 -0.04 0.00 0.00 63.50 60.64 1f1b n PRO 120 Cb 0.53 -3.47 -0.11 0.00 -0.04 0.00 0.00 33.50 30.42 1f1b n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1f1b s VAL 121 N 5.92 0.13 -0.25 0.52 -7.23 -1.26 -5.12 120.40 113.12 1f1b s VAL 121 Ca 0.57 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.37 1f1b s VAL 121 Cb 0.05 -0.58 0.01 0.00 0.56 0.00 0.00 36.38 36.42 1f1b s VAL 121 CO 0.07 -0.59 1.11 -0.44 -0.31 0.00 0.00 175.10 174.94 1f1b s SER 122 N -1.80 7.00 0.30 4.85 0.01 -1.26 -4.99 113.70 117.82 1f1b s SER 122 Ca -0.10 1.34 -0.30 0.00 1.31 0.00 0.00 55.95 58.20 1f1b s SER 122 Cb -0.05 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.52 1f1b s SER 122 CO -0.03 -0.77 1.57 -1.54 0.41 0.00 0.00 173.24 172.88 1f1b n SER 123 N 6.60 3.79 -3.91 2.44 3.41 -1.26 -4.60 113.62 120.08 1f1b n SER 123 Ca 0.13 1.16 -0.20 0.00 -0.26 0.00 0.00 58.87 59.69 1f1b n SER 123 Cb 0.46 -1.59 -0.16 0.00 -0.26 0.00 0.00 64.21 62.66 1f1b n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1f1b s SER 124 N 0.38 0.99 -0.08 4.04 0.15 -1.26 0.19 113.70 118.10 1f1b s SER 124 Ca 0.62 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 57.16 1f1b s SER 124 Cb -0.50 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1f1b s SER 124 CO 0.51 -0.03 -0.19 -0.36 1.20 0.00 0.00 173.24 174.36 1f1b s PHE 125 N 0.79 2.12 0.13 3.44 0.40 -0.28 -1.62 117.98 122.96 1f1b s PHE 125 Ca -0.11 -0.84 -0.30 0.00 -0.60 0.00 0.00 56.93 55.08 1f1b s PHE 125 Cb -0.14 -1.45 -0.06 0.00 0.51 0.00 0.00 43.02 41.88 1f1b s PHE 125 CO 0.01 -0.36 1.01 0.00 0.70 0.00 0.00 175.22 176.58 1f1b s ALA 126 N 0.44 3.29 -0.34 5.36 0.00 0.18 -0.22 121.76 130.47 1f1b s ALA 126 Ca -0.17 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.35 1f1b s ALA 126 Cb -0.17 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1f1b s ALA 126 CO 0.07 -0.09 0.17 0.08 0.00 0.00 0.00 175.76 175.98 1f1b s VAL 127 N -0.06 4.55 -0.25 0.00 1.01 0.95 -0.87 120.40 125.73 1f1b s VAL 127 Ca 0.48 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1f1b s VAL 127 Cb -0.25 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.76 1f1b s VAL 127 CO 0.31 -0.06 -0.09 -0.60 0.00 0.00 0.00 175.10 174.66 1f1b s ARG 128 N 1.58 2.51 -1.06 2.72 3.52 -0.24 -4.77 118.95 123.20 1f1b s ARG 128 Ca 0.03 -1.18 -0.20 0.00 -0.13 0.00 0.00 55.73 54.25 1f1b s ARG 128 Cb -0.18 -2.92 -0.07 0.00 -1.56 0.00 0.00 34.95 30.21 1f1b s ARG 128 CO 0.06 -0.49 1.99 1.17 -0.81 0.00 0.00 175.30 177.22 1f1b n LYS 129 N 4.54 2.03 -2.08 5.12 4.81 -1.26 0.13 118.16 131.46 1f1b n LYS 129 Ca -0.15 -2.28 -0.40 0.00 -0.87 0.00 0.00 58.31 54.61 1f1b n LYS 129 Cb 0.44 -3.20 -0.03 0.00 0.02 0.00 0.00 35.03 32.27 1f1b n LYS 129 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1f1b s ARG 130 N 4.68 2.87 0.46 1.64 3.52 -1.26 -4.77 118.95 126.09 1f1b s ARG 130 Ca 0.56 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 1f1b s ARG 130 Cb 0.11 -4.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 1f1b s ARG 130 CO 0.06 -2.43 0.00 0.00 -0.81 0.00 0.00 175.30 172.12 1f1b n ALA 131 N 11.78 0.00 -0.00 6.12 0.00 -1.26 -1.39 120.51 135.76 1f1b n ALA 131 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1f1b n ALA 131 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1f1b n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1f1b n ASN 132 N 3.08 0.21 -4.18 0.00 4.13 -1.26 -4.88 115.26 112.35 1f1b n ASN 132 Ca 0.00 -0.60 -0.39 0.00 1.68 0.00 0.00 54.58 55.27 1f1b n ASN 132 Cb 0.00 0.78 -0.10 0.00 -1.54 0.00 0.00 39.78 38.92 1f1b n ASN 132 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1f1b s ASP 133 N -0.78 5.51 -0.24 6.41 3.68 -0.49 -5.03 116.67 125.74 1f1b s ASP 133 Ca 0.00 -1.89 -0.41 0.00 2.13 0.00 0.00 52.55 52.38 1f1b s ASP 133 Cb 0.00 -1.94 -0.17 0.00 -1.45 0.00 0.00 42.92 39.36 1f1b s ASP 133 CO 0.00 -0.61 1.60 -0.38 0.13 0.00 0.00 175.17 175.91 1f1b n ILE 134 N 4.79 0.17 -3.05 4.11 -0.00 -1.26 -4.02 119.36 120.11 1f1b n ILE 134 Ca -0.06 -0.03 -0.40 0.00 -0.00 0.00 0.00 62.75 62.26 1f1b n ILE 134 Cb 0.41 -0.92 -0.05 0.00 -0.00 0.00 0.00 39.64 39.08 1f1b n ILE 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1f1b s ALA 135 N 2.65 3.40 -0.13 -1.39 0.00 0.36 0.88 121.76 127.53 1f1b s ALA 135 Ca 0.97 0.21 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1f1b s ALA 135 Cb -1.15 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 19.06 1f1b s ALA 135 CO 0.65 0.10 -0.18 -0.51 0.00 0.00 0.00 175.76 175.82 1f1b s LEU 136 N -0.11 1.90 -0.13 0.00 1.43 0.46 -1.08 118.68 121.15 1f1b s LEU 136 Ca 0.36 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1f1b s LEU 136 Cb -0.20 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1f1b s LEU 136 CO 0.21 0.03 -0.04 -0.75 0.23 0.00 0.00 176.35 176.03 1f1b s LYS 137 N 1.02 3.37 -0.16 1.70 2.47 -0.04 0.26 119.74 128.35 1f1b s LYS 137 Ca -0.04 -0.52 -0.27 0.00 -1.56 0.00 0.00 55.97 53.58 1f1b s LYS 137 Cb -0.15 -2.81 -0.01 0.00 -1.46 0.00 0.00 37.83 33.40 1f1b s LYS 137 CO -0.04 0.39 0.91 0.00 0.16 0.00 0.00 175.35 176.77 1f1b h LYS 139 N 7.30 0.00 0.00 0.00 3.64 -1.65 -0.74 116.57 125.13 1f1b h LYS 139 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1f1b h LYS 139 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1f1b h LYS 139 CO 0.87 0.00 -0.38 0.66 -2.27 0.00 0.00 179.45 178.33 1f1b n TYR 140 N -3.87 0.39 1.93 1.91 4.01 -1.26 -4.49 117.16 115.78 1f1b n TYR 140 Ca -0.00 0.17 0.16 0.00 -0.16 0.00 0.00 57.90 58.07 1f1b n TYR 140 Cb 0.23 -0.48 0.92 0.00 -0.31 0.00 0.00 39.34 39.70 1f1b n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f1b n GLU 142 N -1.02 -1.57 -1.44 0.00 1.02 -0.28 -4.93 120.64 112.42 1f1b n GLU 142 Ca 0.23 0.36 -0.31 0.00 -0.02 0.00 0.00 57.16 57.42 1f1b n GLU 142 Cb 0.13 -4.68 0.07 0.00 -0.02 0.00 0.00 31.44 26.94 1f1b n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1f1b s LYS 143 N -1.65 2.55 0.05 3.49 1.02 -1.26 -4.71 119.74 119.23 1f1b s LYS 143 Ca 0.00 0.99 0.08 0.00 0.02 0.00 0.00 55.97 57.06 1f1b s LYS 143 Cb 0.00 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1f1b s LYS 143 CO 0.00 -1.39 -0.21 -2.00 -0.92 0.00 0.00 175.35 170.83 1f1b s GLU 144 N -5.00 1.40 0.04 1.68 2.12 -1.26 -1.33 118.70 116.35 1f1b s GLU 144 Ca 0.60 -1.00 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 1f1b s GLU 144 Cb -0.15 -1.55 -0.03 0.00 0.26 0.00 0.00 34.13 32.66 1f1b s GLU 144 CO 0.55 0.39 -0.01 -0.06 -0.54 0.00 0.00 175.26 175.60 1f1b s PHE 145 N -0.85 0.39 0.10 5.30 0.40 0.14 -4.95 117.98 118.51 1f1b s PHE 145 Ca 0.08 -0.82 -0.31 0.00 -0.60 0.00 0.00 56.93 55.28 1f1b s PHE 145 Cb -0.09 -0.29 -0.07 0.00 0.51 0.00 0.00 43.02 43.08 1f1b s PHE 145 CO 0.02 -0.33 1.31 0.45 0.70 0.00 0.00 175.22 177.37 1f1b s SER 146 N -2.39 6.93 0.31 1.36 0.15 -1.26 -0.40 113.70 118.39 1f1b s SER 146 Ca -0.01 2.21 0.07 0.00 0.70 0.00 0.00 55.95 58.91 1f1b s SER 146 Cb 0.01 -2.58 0.87 0.00 -1.71 0.00 0.00 66.02 62.62 1f1b s SER 146 CO -0.07 -0.58 1.63 1.12 1.20 0.00 0.00 173.24 176.54 1f1b h HIS 147 N 6.75 0.45 -0.52 3.44 2.07 0.22 0.30 115.15 127.86 1f1b h HIS 147 Ca -0.42 0.05 -0.07 0.00 -2.85 0.00 0.00 60.37 57.08 1f1b h HIS 147 Cb 1.21 -0.05 -0.02 0.00 2.57 0.00 0.00 27.41 31.12 1f1b h HIS 147 CO 0.66 -0.28 0.04 -2.95 -3.07 0.00 0.00 177.93 172.33 1f1b h ASN 148 N 0.17 0.81 -0.76 3.10 7.08 -1.86 0.43 115.58 124.55 1f1b h ASN 148 Ca 0.63 -0.19 0.07 0.00 -3.08 0.00 0.00 56.30 53.74 1f1b h ASN 148 Cb 1.39 -0.22 -0.06 0.00 -2.08 0.00 0.00 38.32 37.35 1f1b h ASN 148 CO -0.71 0.85 0.43 0.58 -2.08 0.00 0.00 177.43 176.51 1f1b h VAL 149 N 0.80 0.96 0.00 6.14 2.07 -0.78 0.26 116.25 125.71 1f1b h VAL 149 Ca 0.16 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 1f1b h VAL 149 Cb 0.42 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1f1b h VAL 149 CO 0.01 0.14 -0.61 0.58 0.02 0.00 0.00 177.57 177.71 1f1b h VAL 150 N 0.78 1.33 -2.18 2.57 2.07 -1.15 -3.39 116.25 116.27 1f1b h VAL 150 Ca 0.35 -2.19 -0.77 0.00 0.82 0.00 0.00 66.70 64.91 1f1b h VAL 150 Cb 0.24 2.22 -0.21 0.00 -1.52 0.00 0.00 31.29 32.02 1f1b h VAL 150 CO -0.20 0.60 1.40 -0.11 0.02 0.00 0.00 177.57 179.28 1f1b n LEU 151 N -3.64 6.19 -4.42 2.57 -0.00 0.15 -4.72 117.00 113.12 1f1b n LEU 151 Ca -0.01 -4.80 -0.44 0.00 -0.00 0.00 0.00 56.01 50.76 1f1b n LEU 151 Cb 0.65 -1.45 -0.03 0.00 -0.00 0.00 0.00 43.42 42.58 1f1b n LEU 151 CO 0.42 1.33 0.76 0.00 -0.00 0.00 0.00 177.39 179.89 1f1b s ALA 152 N -0.40 3.45 0.00 1.96 0.00 -1.25 -4.78 121.76 120.74 1f1b s ALA 152 Ca 0.37 -2.63 0.00 0.00 0.00 0.00 0.00 51.96 49.70 1f1b s ALA 152 Cb 0.04 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1f1b s ALA 152 CO 0.02 -2.73 0.00 0.09 0.00 0.00 0.00 175.76 173.14