#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1b s THR 2 N 0.00 2.20 -0.27 2.03 2.01 -1.26 -5.03 115.64 115.31 1f1b s THR 2 Ca 0.00 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 1f1b s THR 2 Cb 0.00 -3.10 0.11 0.00 0.01 0.00 0.00 72.50 69.52 1f1b s THR 2 CO 0.00 0.02 0.61 -1.00 -0.69 0.00 0.00 174.62 173.57 1f1b s HIS 3 N -1.22 -1.18 -0.20 4.92 4.02 -1.26 -5.17 115.29 115.21 1f1b s HIS 3 Ca 0.60 2.13 -0.06 0.00 1.02 0.00 0.00 55.06 58.75 1f1b s HIS 3 Cb -0.42 0.67 0.10 0.00 -1.02 0.00 0.00 32.58 31.91 1f1b s HIS 3 CO 0.54 -0.60 0.39 0.34 1.02 0.00 0.00 174.74 176.43 1f1b s ASP 4 N 2.54 -0.06 0.02 1.40 2.15 -1.26 -4.96 116.67 116.51 1f1b s ASP 4 Ca -0.06 0.78 -0.00 0.00 0.43 0.00 0.00 52.55 53.70 1f1b s ASP 4 Cb -0.10 1.21 -0.00 0.00 -0.30 0.00 0.00 42.92 43.72 1f1b s ASP 4 CO -0.18 -0.25 -0.00 -3.20 -0.17 0.00 0.00 175.17 171.37 1f1b n ASN 5 N 5.38 0.29 -3.98 -0.34 4.05 -1.26 -4.98 115.26 114.42 1f1b n ASN 5 Ca -0.07 0.04 -0.27 0.00 0.45 0.00 0.00 54.58 54.73 1f1b n ASN 5 Cb 0.50 -0.09 -0.17 0.00 1.23 0.00 0.00 39.78 41.25 1f1b n ASN 5 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1f1b s LYS 6 N -2.00 1.78 0.52 1.20 -0.14 -1.26 -5.12 119.74 114.72 1f1b s LYS 6 Ca -0.00 -0.38 -0.20 0.00 -1.36 0.00 0.00 55.97 54.02 1f1b s LYS 6 Cb 0.00 -1.64 -0.09 0.00 -1.68 0.00 0.00 37.83 34.42 1f1b s LYS 6 CO 0.00 -0.14 0.71 1.28 -0.76 0.00 0.00 175.35 176.44 1f1b n LEU 7 N 4.46 1.60 0.00 3.17 4.77 -1.26 -4.96 117.00 124.78 1f1b n LEU 7 Ca -0.17 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1f1b n LEU 7 Cb 0.51 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1f1b n LEU 7 CO 0.21 -2.47 0.00 0.00 -1.33 0.00 0.00 177.39 173.80 1f1b n GLN 8 N -0.10 0.00 -3.31 3.23 10.64 -1.26 -5.13 117.38 121.45 1f1b n GLN 8 Ca 0.12 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.20 1f1b n GLN 8 Cb 0.44 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.76 1f1b n GLN 8 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1f1b s VAL 9 N -1.71 -0.64 -0.46 -0.39 1.01 -1.26 -5.10 120.40 111.84 1f1b s VAL 9 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1f1b s VAL 9 Cb 0.00 -0.96 0.23 0.00 0.00 0.00 0.00 36.38 35.65 1f1b s VAL 9 CO 0.00 -0.25 0.74 1.21 0.00 0.00 0.00 175.10 176.79 1f1b n GLU 10 N 5.36 0.69 -4.37 2.72 4.07 -1.26 -5.15 120.64 122.70 1f1b n GLU 10 Ca 0.00 -2.25 -0.18 0.00 -0.06 0.00 0.00 57.16 54.67 1f1b n GLU 10 Cb 0.49 -1.42 -0.10 0.00 -0.06 0.00 0.00 31.44 30.35 1f1b n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f1b s ALA 11 N 0.21 1.98 -0.12 4.31 0.00 -1.26 -5.15 121.76 121.72 1f1b s ALA 11 Ca 0.33 -1.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.10 1f1b s ALA 11 Cb 0.17 0.67 0.09 0.00 0.00 0.00 0.00 23.12 24.05 1f1b s ALA 11 CO -0.18 -0.31 0.78 0.96 0.00 0.00 0.00 175.76 177.00 1f1b s ILE 12 N -3.45 0.00 0.00 0.00 -4.36 -1.26 -5.12 121.20 107.01 1f1b s ILE 12 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.72 1f1b s ILE 12 Cb 0.07 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.78 1f1b s ILE 12 CO 0.12 0.00 0.10 1.17 0.24 0.00 0.00 174.94 176.57 1f1b n LYS 13 N 1.24 0.00 0.00 0.37 4.81 -1.26 -3.82 118.16 119.50 1f1b n LYS 13 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1f1b n LYS 13 Cb 0.57 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.09 1f1b n LYS 13 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1f1b n ARG 14 N -0.41 3.40 0.00 1.64 1.74 -1.26 -0.14 116.66 121.62 1f1b n ARG 14 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1f1b n ARG 14 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1f1b n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f1b n GLY 15 N 5.00 -2.70 3.32 -0.13 0.00 -1.26 -4.14 105.19 105.28 1f1b n GLY 15 Ca 0.00 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.67 1.60 -0.17 2.61 2.01 0.06 -2.29 115.64 118.79 1f1b s THR 16 Ca 0.00 -2.11 -0.04 0.00 0.31 0.00 0.00 61.69 59.85 1f1b s THR 16 Cb 0.00 -1.94 0.07 0.00 0.01 0.00 0.00 72.50 70.64 1f1b s THR 16 CO 0.00 -0.58 0.14 -0.69 -0.69 0.00 0.00 174.62 172.80 1f1b s VAL 17 N -2.87 -0.19 -0.55 3.82 1.01 -0.71 -1.22 120.40 119.70 1f1b s VAL 17 Ca 0.19 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1f1b s VAL 17 Cb -0.01 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.84 1f1b s VAL 17 CO 0.05 -0.20 0.96 -0.63 0.00 0.00 0.00 175.10 175.29 1f1b s ILE 18 N 2.22 4.36 0.17 2.22 1.01 -1.14 -0.58 121.20 129.46 1f1b s ILE 18 Ca 0.04 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.13 1f1b s ILE 18 Cb -0.15 -4.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 1f1b s ILE 18 CO -0.10 -1.11 0.07 -0.62 0.00 0.00 0.00 174.94 173.19 1f1b s ASP 19 N 2.80 5.16 0.00 3.58 2.15 -0.93 -2.30 116.67 127.14 1f1b s ASP 19 Ca 0.32 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1f1b s ASP 19 Cb -0.12 -1.24 0.00 0.00 -0.30 0.00 0.00 42.92 41.27 1f1b s ASP 19 CO 0.20 0.07 0.00 1.41 -0.17 0.00 0.00 175.17 176.69 1f1b n HIS 20 N -0.28 0.00 -1.96 -5.34 8.25 -1.23 -0.07 115.22 114.60 1f1b n HIS 20 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 1f1b n HIS 20 Cb 0.55 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 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 3.49 0.34 1.59 1.01 -1.22 -3.85 121.20 120.55 1f1b s ILE 21 Ca 0.00 0.57 -0.29 0.00 0.00 0.00 0.00 60.65 60.93 1f1b s ILE 21 Cb 0.00 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 38.93 1f1b s ILE 21 CO 0.00 -0.11 1.53 -2.65 0.00 0.00 0.00 174.94 173.70 1f1b n PRO 22 N 7.46 2.65 -0.59 2.79 -0.02 -1.26 -0.80 135.00 145.24 1f1b n PRO 22 Ca 0.19 0.94 -0.22 0.00 -2.02 0.00 0.00 63.50 62.39 1f1b n PRO 22 Cb 0.43 -2.68 -0.02 0.00 -0.02 0.00 0.00 33.50 31.21 1f1b n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f1b n ALA 23 N 1.21 -1.77 0.00 3.55 0.00 -1.25 -1.85 120.51 120.40 1f1b n ALA 23 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1f1b n ALA 23 Cb 0.38 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 0.53 0.00 -0.07 0.00 1.13 -1.26 -4.76 117.38 112.94 1f1b n GLN 24 Ca 0.08 0.00 0.23 0.00 -1.94 0.00 0.00 57.00 55.37 1f1b n GLN 24 Cb 0.06 -0.00 0.69 0.00 0.11 0.00 0.00 30.24 31.09 1f1b n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1f1b h ILE 25 N 0.00 0.67 -0.79 5.09 1.08 -1.71 -2.42 117.51 119.44 1f1b h ILE 25 Ca 0.00 -0.01 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1f1b h ILE 25 Cb 0.00 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 34.34 1f1b h ILE 25 CO 0.00 0.00 0.52 1.23 -0.69 0.00 0.00 178.15 179.21 1f1b h GLY 26 N 0.03 1.01 0.84 5.37 0.00 -1.86 -2.11 103.07 106.35 1f1b h GLY 26 Ca 0.32 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 47.21 1f1b h GLY 26 CO -0.01 0.15 -0.58 -2.75 0.00 0.00 0.00 176.54 173.35 1f1b h PHE 27 N 0.69 0.67 0.19 5.60 3.57 -1.83 -3.15 116.94 122.67 1f1b h PHE 27 Ca 0.37 -0.33 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1f1b h PHE 27 Cb 0.51 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1f1b h PHE 27 CO -0.00 1.13 -0.32 0.87 -2.23 0.00 0.00 178.31 177.76 1f1b h LYS 28 N 0.02 -0.57 -0.08 1.11 1.57 -1.56 -0.61 116.57 116.45 1f1b h LYS 28 Ca -0.06 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1f1b h LYS 28 Cb 1.26 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 1f1b h LYS 28 CO 0.12 -0.38 0.26 -0.07 -0.57 0.00 0.00 179.45 178.80 1f1b h LEU 29 N -0.59 0.00 -0.59 2.94 3.38 -1.51 -1.07 115.31 117.87 1f1b h LEU 29 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1f1b h LEU 29 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1f1b h LEU 29 CO -0.14 0.00 0.13 -0.07 0.09 0.00 0.00 178.44 178.44 1f1b h LEU 30 N 0.00 0.90 0.00 1.67 3.38 -1.06 -3.19 115.31 117.01 1f1b h LEU 30 Ca 0.04 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1f1b h LEU 30 Cb 0.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1f1b h LEU 30 CO -0.00 0.91 -0.54 0.77 0.09 0.00 0.00 178.44 179.67 1f1b h SER 31 N 0.85 0.00 -0.84 -0.43 4.64 -1.20 -3.10 113.55 113.47 1f1b h SER 31 Ca 0.18 -0.53 0.11 0.00 -0.47 0.00 0.00 61.79 61.08 1f1b h SER 31 Cb 0.37 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.34 1f1b h SER 31 CO 0.01 1.08 -0.48 0.25 -0.87 0.00 0.00 176.83 176.81 1f1b h LEU 32 N -1.00 -1.72 -2.00 5.97 5.85 -1.55 0.12 115.31 120.98 1f1b h LEU 32 Ca -0.13 0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1f1b h LEU 32 Cb 0.90 0.80 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1f1b h LEU 32 CO -0.08 -0.29 0.00 0.49 -0.34 0.00 0.00 178.44 178.22 1f1b n PHE 33 N -5.37 0.72 -3.52 1.25 0.99 -1.21 -4.85 117.46 105.47 1f1b n PHE 33 Ca 0.04 -0.36 -0.25 0.00 -0.00 0.00 0.00 57.45 56.88 1f1b n PHE 33 Cb 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.81 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 1.09 -3.29 0.22 -1.08 5.02 0.42 -4.84 118.16 115.70 1f1b n LYS 34 Ca 0.18 0.43 0.15 0.00 -2.02 0.00 0.00 58.31 57.06 1f1b n LYS 34 Cb 0.46 -5.14 0.79 0.00 -0.02 0.00 0.00 35.03 31.12 1f1b n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1f1b h LEU 35 N -1.04 0.00 0.00 -0.35 3.38 -1.79 -0.16 115.31 115.36 1f1b h LEU 35 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1f1b h LEU 35 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1f1b h LEU 35 CO 0.57 0.00 -0.74 0.00 0.09 0.00 0.00 178.44 178.36 1f1b h THR 36 N 0.00 0.15 0.00 0.22 1.03 -1.89 -3.40 112.91 109.02 1f1b h THR 36 Ca 0.00 -1.25 -0.61 0.00 -0.01 0.00 0.00 66.41 64.54 1f1b h THR 36 Cb 0.06 1.79 0.01 0.00 -1.07 0.00 0.00 68.15 68.95 1f1b h THR 36 CO 0.00 0.08 3.05 -0.62 -0.01 0.00 0.00 175.52 178.02 1f1b n GLU 37 N -2.87 2.64 -3.61 0.00 1.02 -0.07 -4.81 120.64 112.94 1f1b n GLU 37 Ca -0.00 -2.08 -0.11 0.00 -0.02 0.00 0.00 57.16 54.95 1f1b n GLU 37 Cb 0.60 -2.89 -0.05 0.00 -0.02 0.00 0.00 31.44 29.09 1f1b n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1f1b s THR 38 N 3.34 0.06 -1.81 2.62 -1.32 -1.26 -5.02 115.64 112.24 1f1b s THR 38 Ca 0.54 -0.46 0.27 0.00 -1.21 0.00 0.00 61.69 60.82 1f1b s THR 38 Cb 0.14 -1.10 0.31 0.00 -1.51 0.00 0.00 72.50 70.34 1f1b s THR 38 CO -0.03 -0.26 1.61 -0.67 -2.21 0.00 0.00 174.62 173.07 1f1b n ASP 39 N -0.10 1.02 -4.74 8.08 4.64 -1.26 -4.91 116.55 119.28 1f1b n ASP 39 Ca -0.17 -0.92 -0.41 0.00 -1.38 0.00 0.00 54.79 51.92 1f1b n ASP 39 Cb 0.63 0.11 -0.04 0.00 -1.04 0.00 0.00 41.12 40.78 1f1b n ASP 39 CO 0.00 0.00 0.00 -1.58 -0.82 0.00 0.00 177.20 174.80 1f1b s GLN 40 N -2.45 4.52 -0.08 -0.67 2.00 -1.26 -4.97 119.66 116.75 1f1b s GLN 40 Ca 0.26 1.83 -0.33 0.00 -2.00 0.00 0.00 55.36 55.12 1f1b s GLN 40 Cb 0.19 -3.25 -0.10 0.00 0.80 0.00 0.00 33.01 30.65 1f1b s GLN 40 CO 0.50 -0.04 1.95 0.54 -0.50 0.00 0.00 175.29 177.74 1f1b n ARG 41 N 2.45 2.32 -4.34 1.67 1.74 -1.26 -4.85 116.66 114.39 1f1b n ARG 41 Ca 0.04 0.83 -0.29 0.00 -0.77 0.00 0.00 57.85 57.66 1f1b n ARG 41 Cb 0.45 -2.79 -0.12 0.00 -1.02 0.00 0.00 32.46 28.98 1f1b n ARG 41 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1f1b s ILE 42 N 4.70 2.65 -0.27 0.55 1.01 -1.26 -0.58 121.20 127.99 1f1b s ILE 42 Ca 0.93 -1.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 1f1b s ILE 42 Cb -0.60 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 39.77 1f1b s ILE 42 CO 0.48 0.06 0.25 0.42 0.00 0.00 0.00 174.94 176.14 1f1b s THR 43 N -1.22 -0.33 0.11 2.92 -4.23 0.54 -5.01 115.64 108.43 1f1b s THR 43 Ca 0.18 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 1f1b s THR 43 Cb -0.10 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.76 1f1b s THR 43 CO 0.09 -0.47 0.32 -0.63 -0.54 0.00 0.00 174.62 173.40 1f1b s ILE 44 N 2.31 5.24 -0.41 2.99 1.01 -1.26 -1.23 121.20 129.84 1f1b s ILE 44 Ca 0.09 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.74 1f1b s ILE 44 Cb -0.15 -3.62 0.29 0.00 0.01 0.00 0.00 42.46 38.99 1f1b s ILE 44 CO -0.30 0.08 0.63 0.61 0.00 0.00 0.00 174.94 175.97 1f1b n GLY 45 N 0.19 3.41 3.72 6.18 0.00 -0.47 -5.00 105.19 113.21 1f1b n GLY 45 Ca -0.03 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1f1b n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f1b n LEU 46 N 0.89 3.90 0.00 0.99 4.77 -1.26 -2.37 117.00 123.91 1f1b n LEU 46 Ca 0.24 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.40 1f1b n LEU 46 Cb 0.56 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1f1b n LEU 46 CO 0.22 -0.20 0.00 0.59 -1.33 0.00 0.00 177.39 176.67 1f1b n ASN 47 N 1.37 -2.24 -4.62 -1.43 4.13 -1.18 -4.96 115.26 106.33 1f1b n ASN 47 Ca 0.07 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.90 1f1b n ASN 47 Cb 0.36 -1.86 -0.03 0.00 -1.54 0.00 0.00 39.78 36.71 1f1b n ASN 47 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1f1b s LEU 48 N 0.00 3.84 0.48 3.41 0.05 -1.00 -4.57 118.68 120.89 1f1b s LEU 48 Ca 0.00 1.85 -0.22 0.00 0.05 0.00 0.00 54.13 55.80 1f1b s LEU 48 Cb 0.00 -3.53 -0.07 0.00 -2.05 0.00 0.00 46.19 40.55 1f1b s LEU 48 CO 0.00 -1.44 1.17 -2.84 -0.55 0.00 0.00 176.35 172.69 1f1b s PRO 49 N 5.16 3.62 -0.29 1.48 0.02 -1.26 -2.92 135.00 140.82 1f1b s PRO 49 Ca 0.83 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 63.46 1f1b s PRO 49 Cb -0.30 -2.32 0.14 0.00 0.02 0.00 0.00 34.50 32.04 1f1b s PRO 49 CO 0.33 -0.67 0.95 -1.12 -0.33 0.00 0.00 177.00 176.17 1f1b s SER 50 N -1.40 -0.54 0.58 2.53 0.01 0.14 -4.92 113.70 110.09 1f1b s SER 50 Ca 0.66 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1f1b s SER 50 Cb -0.29 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.12 1f1b s SER 50 CO 0.34 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1f1b n GLY 51 N 3.56 1.08 0.19 3.44 0.00 -1.26 0.22 105.19 112.42 1f1b n GLY 51 Ca -0.18 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1f1b n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1f1b h GLU 52 N 0.00 0.00 0.00 1.61 9.09 -2.03 -2.15 114.58 121.10 1f1b h GLU 52 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1f1b h GLU 52 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1f1b h GLU 52 CO 0.00 0.00 -0.06 1.98 0.05 0.00 0.00 179.01 180.98 1f1b h MET 53 N 0.00 0.00 0.00 1.06 4.05 -2.00 -3.47 114.93 114.57 1f1b h MET 53 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1f1b h MET 53 Cb 0.80 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1f1b h MET 53 CO 0.00 0.06 0.00 0.41 0.23 0.00 0.00 176.91 177.61 1f1b n GLY 54 N 0.45 3.86 3.65 1.39 0.00 0.13 -4.51 105.19 110.16 1f1b n GLY 54 Ca 0.02 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1f1b n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f1b s ARG 55 N 0.00 4.02 0.00 1.61 3.52 -1.26 0.25 118.95 127.09 1f1b s ARG 55 Ca 0.00 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 1f1b s ARG 55 Cb 0.00 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 1f1b s ARG 55 CO 0.00 -1.07 0.00 0.36 -0.81 0.00 0.00 175.30 173.78 1f1b n LYS 56 N 7.59 0.95 -3.44 5.12 2.85 -1.15 -3.90 118.16 126.18 1f1b n LYS 56 Ca 0.20 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.35 1f1b n LYS 56 Cb 0.42 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.78 1f1b n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1f1b s ASP 57 N 1.00 -0.53 -0.28 -5.58 1.01 0.02 -3.11 116.67 109.19 1f1b s ASP 57 Ca 0.00 0.03 -0.17 0.00 0.71 0.00 0.00 52.55 53.12 1f1b s ASP 57 Cb 0.00 0.56 0.09 0.00 1.01 0.00 0.00 42.92 44.58 1f1b s ASP 57 CO 0.00 -0.89 0.75 -0.22 0.21 0.00 0.00 175.17 175.03 1f1b s LEU 58 N -2.63 -0.84 -0.42 1.23 0.20 -1.26 -3.41 118.68 111.55 1f1b s LEU 58 Ca 0.01 1.37 0.02 0.00 0.69 0.00 0.00 54.13 56.22 1f1b s LEU 58 Cb -0.01 2.26 0.12 0.00 -0.43 0.00 0.00 46.19 48.13 1f1b s LEU 58 CO -0.11 -0.22 0.19 -0.63 -0.29 0.00 0.00 176.35 175.28 1f1b s ILE 59 N 1.46 1.77 -0.19 6.68 1.01 -0.97 -1.37 121.20 129.59 1f1b s ILE 59 Ca -0.09 -2.51 -0.29 0.00 0.00 0.00 0.00 60.65 57.76 1f1b s ILE 59 Cb -0.05 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1f1b s ILE 59 CO -0.17 -0.78 1.01 -0.54 0.00 0.00 0.00 174.94 174.46 1f1b s LYS 60 N 0.51 4.31 -0.24 2.79 1.02 -0.37 -2.91 119.74 124.86 1f1b s LYS 60 Ca 0.15 1.34 0.01 0.00 0.02 0.00 0.00 55.97 57.49 1f1b s LYS 60 Cb -0.23 -3.61 0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1f1b s LYS 60 CO -0.06 -0.51 -0.12 0.42 -0.92 0.00 0.00 175.35 174.16 1f1b s ILE 61 N 2.75 2.29 0.36 2.17 1.01 -0.36 -0.34 121.20 129.08 1f1b s ILE 61 Ca 0.45 -1.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 1f1b s ILE 61 Cb -0.16 -2.20 -0.09 0.00 0.01 0.00 0.00 42.46 40.01 1f1b s ILE 61 CO 0.10 0.17 1.06 -0.70 0.00 0.00 0.00 174.94 175.57 1f1b s GLU 62 N 1.20 4.33 -1.41 2.79 2.12 0.25 -0.76 118.70 127.23 1f1b s GLU 62 Ca -0.03 1.60 -0.10 0.00 0.36 0.00 0.00 54.97 56.80 1f1b s GLU 62 Cb -0.17 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.47 1f1b s GLU 62 CO -0.07 -0.01 0.18 0.09 -0.54 0.00 0.00 175.26 174.91 1f1b n ASN 63 N 0.36 -0.41 -3.81 -1.70 4.13 -1.26 -4.58 115.26 107.98 1f1b n ASN 63 Ca 0.03 -1.24 -0.13 0.00 1.68 0.00 0.00 54.58 54.92 1f1b n ASN 63 Cb 0.48 -1.53 -0.14 0.00 -1.54 0.00 0.00 39.78 37.05 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 -4.13 -0.02 0.04 3.41 2.01 -1.26 -4.84 115.64 110.85 1f1b s THR 64 Ca 0.13 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.27 1f1b s THR 64 Cb -0.07 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 1f1b s THR 64 CO 0.96 0.03 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.35 1f1b s PHE 65 N 0.43 1.84 0.36 4.92 0.40 -1.26 -2.67 117.98 122.00 1f1b s PHE 65 Ca -0.03 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.00 1f1b s PHE 65 Cb -0.05 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1f1b s PHE 65 CO -0.02 0.09 0.26 -0.51 0.70 0.00 0.00 175.22 175.74 1f1b s LEU 66 N -1.14 3.42 0.53 -0.37 1.43 -1.26 -5.11 118.68 116.18 1f1b s LEU 66 Ca 0.08 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.59 1f1b s LEU 66 Cb -0.09 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1f1b s LEU 66 CO 0.02 -0.43 0.71 -0.94 0.23 0.00 0.00 176.35 175.94 1f1b s SER 67 N -3.98 5.21 0.09 2.29 1.04 -1.26 -4.89 113.70 112.20 1f1b s SER 67 Ca 0.42 -0.77 -0.25 0.00 0.48 0.00 0.00 55.95 55.83 1f1b s SER 67 Cb -0.03 0.06 -0.13 0.00 0.10 0.00 0.00 66.02 66.02 1f1b s SER 67 CO 0.25 -1.18 1.69 -0.33 0.98 0.00 0.00 173.24 174.66 1f1b h GLU 68 N 0.33 -0.26 0.02 4.02 5.08 -2.01 0.15 114.58 121.91 1f1b h GLU 68 Ca -0.33 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1f1b h GLU 68 Cb 1.29 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1f1b h GLU 68 CO 0.43 -0.18 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.61 1f1b h ASP 69 N -0.27 -0.61 -0.26 1.42 3.32 -1.98 0.65 116.42 118.70 1f1b h ASP 69 Ca -0.00 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.19 1f1b h ASP 69 Cb 0.25 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 1f1b h ASP 69 CO -0.02 -0.28 -0.18 1.56 -1.72 0.00 0.00 179.24 178.60 1f1b h GLN 70 N -0.34 -0.16 -0.84 3.56 4.20 -1.84 -0.42 115.11 119.26 1f1b h GLN 70 Ca 0.05 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1f1b h GLN 70 Cb 0.41 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1f1b h GLN 70 CO -0.18 -0.11 0.54 0.28 -0.67 0.00 0.00 178.83 178.70 1f1b h VAL 71 N -0.17 1.22 -0.24 -0.54 2.07 -0.22 -1.18 116.25 117.20 1f1b h VAL 71 Ca 0.14 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1f1b h VAL 71 Cb 0.38 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1f1b h VAL 71 CO -0.36 0.22 0.04 0.44 0.02 0.00 0.00 177.57 177.94 1f1b h ASP 72 N 1.15 0.31 -0.31 0.57 5.19 0.68 -0.96 116.42 123.04 1f1b h ASP 72 Ca 0.31 -0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.77 1f1b h ASP 72 Cb -0.10 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 1f1b h ASP 72 CO -0.06 0.34 0.26 1.56 -3.12 0.00 0.00 179.24 178.21 1f1b h GLN 73 N 0.34 0.00 0.00 3.56 1.08 0.10 -0.05 115.11 120.14 1f1b h GLN 73 Ca 0.08 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 1f1b h GLN 73 Cb 0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1f1b h GLN 73 CO -0.00 0.00 -0.19 -0.07 -0.95 0.00 0.00 178.83 177.62 1f1b h LEU 74 N 0.00 0.00 -1.94 1.46 3.38 -1.21 -3.28 115.31 113.72 1f1b h LEU 74 Ca 0.15 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.29 1f1b h LEU 74 Cb 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1f1b h LEU 74 CO -0.00 0.19 0.44 0.00 0.09 0.00 0.00 178.44 179.16 1f1b h ALA 75 N 1.81 2.51 0.00 1.53 0.00 -1.06 0.40 119.26 124.45 1f1b h ALA 75 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1f1b h ALA 75 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1f1b h ALA 75 CO 0.02 -0.68 0.00 -0.11 0.00 0.00 0.00 179.25 178.48 1f1b n LEU 76 N -4.37 0.00 0.00 0.00 7.94 -1.24 -3.43 117.00 115.90 1f1b n LEU 76 Ca 0.12 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1f1b n LEU 76 Cb 0.65 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1f1b n LEU 76 CO 0.37 -0.03 0.00 -1.22 -1.11 0.00 0.00 177.39 175.40 1f1b n TYR 77 N -1.08 -0.16 -3.24 1.96 4.01 -0.18 -4.99 117.16 113.48 1f1b n TYR 77 Ca 0.14 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.61 1f1b n TYR 77 Cb 0.10 0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 1f1b n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f1b n ALA 78 N -2.29 4.24 0.43 -0.72 0.00 0.12 -4.84 120.51 117.46 1f1b n ALA 78 Ca 0.00 -4.70 -0.19 0.00 0.00 0.00 0.00 53.44 48.54 1f1b n ALA 78 Cb 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 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 3.71 -1.09 0.00 0.00 0.13 -1.68 -2.16 132.00 130.91 1f1b h PRO 79 Ca 0.17 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1f1b h PRO 79 Cb 0.61 0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1f1b h PRO 79 CO 0.82 -0.73 0.00 -0.56 -0.23 0.00 0.00 178.00 177.30 1f1b h GLN 80 N -1.13 0.00 -7.07 0.86 -0.00 -1.92 -3.40 115.11 102.45 1f1b h GLN 80 Ca -0.11 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 58.00 1f1b h GLN 80 Cb 0.89 0.00 0.12 0.00 -0.00 0.00 0.00 27.48 28.49 1f1b h GLN 80 CO 0.14 0.00 0.53 0.00 -0.00 0.00 0.00 178.83 179.50 1f1b s ALA 81 N -3.45 2.66 -0.06 0.06 0.00 -0.81 -4.84 121.76 115.31 1f1b s ALA 81 Ca 0.02 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 1f1b s ALA 81 Cb 0.09 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1f1b s ALA 81 CO 0.38 -1.27 0.01 -0.08 0.00 0.00 0.00 175.76 174.81 1f1b s THR 82 N -1.44 0.26 0.17 0.00 -1.32 0.90 -4.10 115.64 110.12 1f1b s THR 82 Ca 0.75 0.18 -0.31 0.00 -1.21 0.00 0.00 61.69 61.10 1f1b s THR 82 Cb -0.35 -0.43 -0.09 0.00 -1.51 0.00 0.00 72.50 70.12 1f1b s THR 82 CO 0.40 0.23 1.36 -0.69 -2.21 0.00 0.00 174.62 173.71 1f1b s VAL 83 N 1.90 3.17 -0.08 5.08 1.01 -1.26 -2.18 120.40 128.03 1f1b s VAL 83 Ca 0.03 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1f1b s VAL 83 Cb -0.12 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1f1b s VAL 83 CO -0.04 0.11 -0.15 0.20 0.00 0.00 0.00 175.10 175.22 1f1b s ASN 84 N 0.66 3.95 -0.37 3.32 -0.87 0.26 0.15 114.94 122.03 1f1b s ASN 84 Ca 0.60 -0.27 -0.22 0.00 -1.57 0.00 0.00 52.86 51.41 1f1b s ASN 84 Cb -0.37 -1.15 0.01 0.00 -0.02 0.00 0.00 41.25 39.72 1f1b s ASN 84 CO 0.35 0.27 0.70 -0.13 -2.57 0.00 0.00 177.10 175.72 1f1b s ARG 85 N -0.26 3.68 0.00 -0.60 1.81 -0.86 -1.73 118.95 120.98 1f1b s ARG 85 Ca 0.01 0.13 0.00 0.00 -1.72 0.00 0.00 55.73 54.15 1f1b s ARG 85 Cb -0.13 -3.82 0.00 0.00 -0.45 0.00 0.00 34.95 30.55 1f1b s ARG 85 CO 0.03 -0.80 0.00 -0.89 -0.68 0.00 0.00 175.30 172.96 1f1b n ILE 86 N 5.69 0.00 0.00 1.52 2.08 -0.97 -0.26 119.36 127.42 1f1b n ILE 86 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1f1b n ILE 86 Cb 0.48 -1.34 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 1f1b n ILE 86 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1f1b n ASP 87 N -1.66 0.00 -2.60 4.38 2.03 -0.52 -4.17 116.55 114.02 1f1b n ASP 87 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1f1b n ASP 87 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1f1b n ASP 87 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1f1b n ASN 88 N 0.00 -5.75 0.00 1.67 4.05 -0.50 -0.63 115.26 114.09 1f1b n ASN 88 Ca 0.00 -0.08 0.00 0.00 0.45 0.00 0.00 54.58 54.95 1f1b n ASN 88 Cb 0.00 -4.75 0.00 0.00 1.23 0.00 0.00 39.78 36.26 1f1b n ASN 88 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1f1b n TYR 89 N -4.09 0.00 -3.56 1.20 4.02 0.79 -4.94 117.16 110.58 1f1b n TYR 89 Ca -0.20 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.32 1f1b n TYR 89 Cb 0.66 -0.79 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 1f1b n TYR 89 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1f1b s GLU 90 N -0.42 3.84 -1.05 -0.72 2.56 0.19 -5.02 118.70 118.09 1f1b s GLU 90 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 54.97 55.10 1f1b s GLU 90 Cb 0.00 -3.19 0.11 0.00 2.00 0.00 0.00 34.13 33.05 1f1b s GLU 90 CO 0.00 0.69 1.34 0.54 -0.56 0.00 0.00 175.26 177.26 1f1b s VAL 91 N -1.11 4.53 0.19 3.70 0.11 -1.26 -1.87 120.40 124.68 1f1b s VAL 91 Ca 0.24 -1.63 -0.20 0.00 -2.93 0.00 0.00 61.98 57.46 1f1b s VAL 91 Cb -0.16 -4.92 0.14 0.00 -1.53 0.00 0.00 36.38 29.92 1f1b s VAL 91 CO 0.13 -1.69 1.59 0.58 -3.33 0.00 0.00 175.10 172.37 1f1b h VAL 92 N 5.80 0.17 -0.52 2.04 2.07 -0.79 -3.44 116.25 121.58 1f1b h VAL 92 Ca 0.23 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.97 1f1b h VAL 92 Cb 0.97 0.17 -0.26 0.00 -1.52 0.00 0.00 31.29 30.65 1f1b h VAL 92 CO 1.25 0.00 0.43 -0.83 0.02 0.00 0.00 177.57 178.44 1f1b s GLY 93 N -3.20 0.12 -0.23 2.17 0.00 -1.21 -5.00 107.32 99.98 1f1b s GLY 93 Ca -0.14 3.44 -0.29 0.00 0.00 0.00 0.00 44.72 47.73 1f1b s GLY 93 CO 0.70 3.29 1.79 1.25 0.00 0.00 0.00 173.10 180.12 1f1b s LYS 94 N 2.13 3.61 0.00 2.90 2.20 -1.26 -2.03 119.74 127.29 1f1b s LYS 94 Ca -0.01 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1f1b s LYS 94 Cb -0.03 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 1f1b s LYS 94 CO -0.16 -1.53 0.00 0.43 -0.36 0.00 0.00 175.35 173.72 1f1b n SER 95 N 9.33 0.00 0.00 1.43 7.64 0.39 -4.93 113.62 127.47 1f1b n SER 95 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1f1b n SER 95 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1f1b n SER 95 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1f1b n ARG 96 N 0.00 0.00 -1.78 1.43 0.63 -1.24 -4.15 116.66 111.55 1f1b n ARG 96 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 1f1b n ARG 96 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 1f1b n ARG 96 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1f1b s PRO 97 N -0.54 2.76 -0.05 -0.14 0.04 -1.26 -4.85 135.00 130.96 1f1b s PRO 97 Ca 0.00 2.09 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 1f1b s PRO 97 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1f1b s PRO 97 CO 0.00 -1.44 0.14 -1.54 0.04 0.00 0.00 177.00 174.20 1f1b s SER 98 N -1.28 -0.14 -0.44 6.66 1.04 -1.26 -4.88 113.70 113.39 1f1b s SER 98 Ca 0.79 0.28 -0.41 0.00 0.48 0.00 0.00 55.95 57.09 1f1b s SER 98 Cb -0.38 0.28 -0.16 0.00 0.10 0.00 0.00 66.02 65.86 1f1b s SER 98 CO 0.41 -0.05 2.12 -0.11 0.98 0.00 0.00 173.24 176.59 1f1b n LEU 99 N 3.06 1.29 -4.80 2.42 7.94 -1.26 -4.43 117.00 121.23 1f1b n LEU 99 Ca -0.13 0.63 -0.34 0.00 -1.11 0.00 0.00 56.01 55.06 1f1b n LEU 99 Cb 0.59 -1.03 -0.03 0.00 0.53 0.00 0.00 43.42 43.48 1f1b n LEU 99 CO 0.21 -0.75 0.72 -2.16 -1.11 0.00 0.00 177.39 174.30 1f1b s PRO 100 N 5.85 3.74 0.19 1.96 0.04 -1.25 -4.95 135.00 140.57 1f1b s PRO 100 Ca 1.15 1.34 0.04 0.00 0.04 0.00 0.00 61.00 63.57 1f1b s PRO 100 Cb -1.27 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 31.27 1f1b s PRO 100 CO 0.61 -0.48 1.44 1.05 0.04 0.00 0.00 177.00 179.67 1f1b h GLU 101 N 1.42 0.19 -3.63 4.56 4.11 -1.91 -3.42 114.58 115.91 1f1b h GLU 101 Ca -0.49 -0.18 -0.30 0.00 0.07 0.00 0.00 59.36 58.45 1f1b h GLU 101 Cb 1.22 0.05 -0.33 0.00 0.50 0.00 0.00 28.75 30.19 1f1b h GLU 101 CO 0.59 0.88 -0.73 1.03 0.07 0.00 0.00 179.01 180.84 1f1b s ARG 102 N -3.39 0.08 -0.90 1.06 0.52 -1.26 -1.84 118.95 113.22 1f1b s ARG 102 Ca -0.03 0.12 -0.14 0.00 -0.52 0.00 0.00 55.73 55.16 1f1b s ARG 102 Cb 0.11 -0.28 0.22 0.00 0.52 0.00 0.00 34.95 35.52 1f1b s ARG 102 CO 0.81 -0.13 0.88 0.42 0.02 0.00 0.00 175.30 177.31 1f1b s ILE 103 N 0.86 5.60 -0.02 1.52 -1.09 -0.47 -4.92 121.20 122.68 1f1b s ILE 103 Ca -0.08 -2.57 -0.29 0.00 -2.23 0.00 0.00 60.65 55.48 1f1b s ILE 103 Cb -0.11 -4.53 -0.03 0.00 -1.58 0.00 0.00 42.46 36.21 1f1b s ILE 103 CO -0.02 -1.11 0.95 -1.81 -1.23 0.00 0.00 174.94 171.72 1f1b s ASP 104 N 2.15 7.31 0.39 3.58 1.01 -1.26 -2.29 116.67 127.56 1f1b s ASP 104 Ca 0.22 1.59 0.00 0.00 0.71 0.00 0.00 52.55 55.07 1f1b s ASP 104 Cb -0.09 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1f1b s ASP 104 CO -0.09 -0.26 0.00 0.59 0.21 0.00 0.00 175.17 175.62 1f1b n ASN 105 N 4.01 0.00 0.00 0.27 4.13 -1.03 -4.86 115.26 117.78 1f1b n ASN 105 Ca 0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1f1b n ASN 105 Cb 0.51 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 1f1b n ASN 105 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1f1b n VAL 106 N 0.00 0.00 -1.10 2.41 0.24 -1.26 -4.72 118.33 113.91 1f1b n VAL 106 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1f1b n VAL 106 Cb 0.00 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.48 1f1b n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1f1b s LEU 107 N 0.00 2.99 -0.06 1.34 1.43 -1.26 0.10 118.68 123.23 1f1b s LEU 107 Ca 0.00 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1f1b s LEU 107 Cb 0.00 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.70 1f1b s LEU 107 CO 0.00 -2.39 -0.03 -0.69 0.23 0.00 0.00 176.35 173.48 1f1b s VAL 108 N -2.77 0.49 0.13 -1.59 1.01 -0.09 -4.75 120.40 112.83 1f1b s VAL 108 Ca 0.64 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 1f1b s VAL 108 Cb -0.19 -0.57 -0.10 0.00 0.00 0.00 0.00 36.38 35.52 1f1b s VAL 108 CO 0.56 0.24 1.79 0.00 0.00 0.00 0.00 175.10 177.69 1f1b h PRO 110 N 8.34 0.00 -6.38 0.00 0.13 -1.95 -3.44 132.00 128.71 1f1b h PRO 110 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 1f1b h PRO 110 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1f1b h PRO 110 CO 0.95 0.02 1.05 1.21 -0.23 0.00 0.00 178.00 181.00 1f1b s ASN 111 N -5.67 6.60 0.36 1.44 2.47 -1.26 -4.89 114.94 113.99 1f1b s ASN 111 Ca 0.00 2.43 0.12 0.00 0.42 0.00 0.00 52.86 55.83 1f1b s ASN 111 Cb 0.10 -2.55 0.69 0.00 -1.45 0.00 0.00 41.25 38.04 1f1b s ASN 111 CO 0.53 -0.92 1.82 0.77 -3.72 0.00 0.00 177.10 175.58 1f1b h SER 112 N 8.98 0.05 -0.41 -4.21 4.64 -2.04 -3.05 113.55 117.51 1f1b h SER 112 Ca -0.42 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1f1b h SER 112 Cb 1.20 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1f1b h SER 112 CO 0.94 0.41 0.02 -3.20 -0.87 0.00 0.00 176.83 174.12 1f1b n ASN 113 N -4.10 4.28 -4.74 4.97 5.15 -1.26 -4.92 115.26 114.63 1f1b n ASN 113 Ca -0.02 -2.67 -0.40 0.00 -0.60 0.00 0.00 54.58 50.89 1f1b n ASN 113 Cb 0.41 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.97 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 4.22 0.39 -0.60 0.00 6.09 -1.92 -2.95 117.51 122.73 1f1b h ILE 115 Ca -0.43 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.15 1f1b h ILE 115 Cb 1.21 0.70 -0.07 0.00 0.47 0.00 0.00 36.82 39.13 1f1b h ILE 115 CO 0.72 0.00 0.22 0.77 -3.07 0.00 0.00 178.15 176.78 1f1b h SER 116 N 0.00 0.21 -0.21 2.19 4.64 -1.92 -2.17 113.55 116.28 1f1b h SER 116 Ca 0.16 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.58 1f1b h SER 116 Cb 0.89 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 1f1b h SER 116 CO -0.00 0.13 0.04 0.45 -0.87 0.00 0.00 176.83 176.58 1f1b h HIS 117 N 0.40 0.07 0.48 4.77 3.86 -1.88 -3.30 115.15 119.53 1f1b h HIS 117 Ca 0.30 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 1f1b h HIS 117 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1f1b h HIS 117 CO -0.17 0.02 -0.23 0.00 0.86 0.00 0.00 177.93 178.41 1f1b h ALA 118 N 1.15 -0.64 -2.40 2.45 0.00 -1.65 -3.47 119.26 114.71 1f1b h ALA 118 Ca 0.10 -0.18 -0.51 0.00 0.00 0.00 0.00 54.91 54.32 1f1b h ALA 118 Cb 0.09 0.25 0.10 0.00 0.00 0.00 0.00 17.79 18.23 1f1b h ALA 118 CO -0.13 -0.65 0.37 -1.21 0.00 0.00 0.00 179.25 177.63 1f1b s GLU 119 N -4.21 2.84 -1.30 0.00 0.41 -0.85 -4.95 118.70 110.64 1f1b s GLU 119 Ca -0.12 1.27 -0.14 0.00 -0.41 0.00 0.00 54.97 55.57 1f1b s GLU 119 Cb 0.01 -1.96 0.12 0.00 -1.78 0.00 0.00 34.13 30.52 1f1b s GLU 119 CO 0.41 -1.20 1.77 -0.35 -0.49 0.00 0.00 175.26 175.40 1f1b n PRO 120 N -2.58 3.30 -3.83 0.39 -0.04 -1.26 -4.85 135.00 126.13 1f1b n PRO 120 Ca 0.09 -3.40 -0.15 0.00 -0.04 0.00 0.00 63.50 60.01 1f1b n PRO 120 Cb 0.52 -3.17 -0.16 0.00 -0.04 0.00 0.00 33.50 30.66 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 2.23 0.00 0.33 0.52 -7.23 -1.26 -5.14 120.40 109.86 1f1b s VAL 121 Ca 0.46 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 60.48 1f1b s VAL 121 Cb 0.05 -0.10 -0.11 0.00 0.56 0.00 0.00 36.38 36.78 1f1b s VAL 121 CO 0.01 0.08 1.40 -0.44 -0.31 0.00 0.00 175.10 175.84 1f1b s SER 122 N 0.81 6.59 1.18 4.85 0.01 -1.26 -4.94 113.70 120.94 1f1b s SER 122 Ca -0.07 2.82 -0.17 0.00 1.31 0.00 0.00 55.95 59.84 1f1b s SER 122 Cb -0.10 -2.65 0.27 0.00 0.21 0.00 0.00 66.02 63.75 1f1b s SER 122 CO -0.02 -0.70 1.07 -0.94 0.41 0.00 0.00 173.24 173.06 1f1b s SER 123 N -0.18 1.06 -0.29 2.44 1.04 -1.26 -4.86 113.70 111.64 1f1b s SER 123 Ca 0.53 0.92 -0.16 0.00 0.48 0.00 0.00 55.95 57.72 1f1b s SER 123 Cb -0.43 -1.37 0.17 0.00 0.10 0.00 0.00 66.02 64.49 1f1b s SER 123 CO 0.55 -4.07 1.06 -0.55 0.98 0.00 0.00 173.24 171.21 1f1b s SER 124 N -3.48 -0.39 -0.01 7.02 0.15 -1.26 -2.46 113.70 113.27 1f1b s SER 124 Ca 0.69 0.60 0.05 0.00 0.70 0.00 0.00 55.95 57.98 1f1b s SER 124 Cb -0.15 1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 65.40 1f1b s SER 124 CO 0.58 -0.09 -0.15 -0.36 1.20 0.00 0.00 173.24 174.42 1f1b s PHE 125 N 1.56 1.36 -0.22 3.44 0.40 -0.97 -1.80 117.98 121.75 1f1b s PHE 125 Ca -0.07 -0.27 -0.25 0.00 -0.60 0.00 0.00 56.93 55.75 1f1b s PHE 125 Cb -0.04 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 1f1b s PHE 125 CO -0.14 -0.01 0.82 0.00 0.70 0.00 0.00 175.22 176.58 1f1b s ALA 126 N -0.41 3.60 0.21 5.36 0.00 -0.12 -1.37 121.76 129.04 1f1b s ALA 126 Ca 0.06 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 1f1b s ALA 126 Cb -0.06 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 1f1b s ALA 126 CO -0.00 -0.82 0.74 0.08 0.00 0.00 0.00 175.76 175.76 1f1b s VAL 127 N 2.58 4.51 -0.29 0.00 1.01 -0.77 -1.27 120.40 126.17 1f1b s VAL 127 Ca 0.36 1.41 -0.13 0.00 0.00 0.00 0.00 61.98 63.62 1f1b s VAL 127 Cb -0.16 -3.93 0.12 0.00 0.00 0.00 0.00 36.38 32.41 1f1b s VAL 127 CO 0.09 0.29 0.73 -0.60 0.00 0.00 0.00 175.10 175.60 1f1b s ARG 128 N -1.76 0.57 -0.79 2.72 3.52 -0.61 -4.90 118.95 117.70 1f1b s ARG 128 Ca 0.41 1.25 -0.26 0.00 -0.13 0.00 0.00 55.73 57.00 1f1b s ARG 128 Cb -0.18 0.54 -0.10 0.00 -1.56 0.00 0.00 34.95 33.65 1f1b s ARG 128 CO 0.22 -0.16 2.25 0.21 -0.81 0.00 0.00 175.30 177.01 1f1b s LYS 129 N 2.35 1.96 -0.43 5.12 2.47 -1.26 0.12 119.74 130.06 1f1b s LYS 129 Ca -0.07 0.35 -0.20 0.00 -1.56 0.00 0.00 55.97 54.49 1f1b s LYS 129 Cb -0.09 -4.83 0.02 0.00 -1.46 0.00 0.00 37.83 31.48 1f1b s LYS 129 CO -0.19 -3.97 0.58 0.50 0.16 0.00 0.00 175.35 172.43 1f1b s ARG 130 N 8.22 3.23 0.29 4.03 3.52 -0.28 -4.88 118.95 133.06 1f1b s ARG 130 Ca 0.85 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 1f1b s ARG 130 Cb -0.11 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 1f1b s ARG 130 CO 0.08 -0.96 0.00 0.00 -0.81 0.00 0.00 175.30 173.60 1f1b n ALA 131 N 6.07 0.00 -0.12 6.12 0.00 -1.26 -0.70 120.51 130.62 1f1b n ALA 131 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 1f1b n ALA 131 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 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 1.35 2.10 -0.27 0.00 5.03 -1.26 -5.03 115.26 117.18 1f1b n ASN 132 Ca 0.00 -0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.34 1f1b n ASN 132 Cb 0.00 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.36 1f1b n ASN 132 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1f1b n ASP 133 N -3.25 0.00 -3.95 6.41 3.85 0.13 -5.10 116.55 114.64 1f1b n ASP 133 Ca -0.43 -0.08 -0.31 0.00 -0.71 0.00 0.00 54.79 53.26 1f1b n ASP 133 Cb 0.95 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 40.57 1f1b n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1f1b s ILE 134 N 1.84 1.70 0.29 2.12 1.01 -1.26 -1.13 121.20 125.77 1f1b s ILE 134 Ca 0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 60.65 58.91 1f1b s ILE 134 Cb 0.00 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1f1b s ILE 134 CO 0.00 -0.25 0.85 0.00 0.00 0.00 0.00 174.94 175.54 1f1b s ALA 135 N 1.28 3.28 -0.02 9.38 0.00 0.12 -0.05 121.76 135.75 1f1b s ALA 135 Ca -0.01 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.37 1f1b s ALA 135 Cb -0.19 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1f1b s ALA 135 CO -0.08 0.24 -0.24 -0.51 0.00 0.00 0.00 175.76 175.17 1f1b s LEU 136 N -2.15 2.04 -0.17 0.00 1.43 0.18 -1.57 118.68 118.44 1f1b s LEU 136 Ca 0.48 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1f1b s LEU 136 Cb -0.17 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.85 1f1b s LEU 136 CO 0.21 0.29 -0.19 -0.75 0.23 0.00 0.00 176.35 176.14 1f1b s LYS 137 N -0.53 2.89 0.16 1.70 2.20 -0.40 0.18 119.74 125.95 1f1b s LYS 137 Ca 0.08 -0.79 -0.32 0.00 -0.36 0.00 0.00 55.97 54.58 1f1b s LYS 137 Cb -0.09 -2.49 -0.10 0.00 -1.51 0.00 0.00 37.83 33.63 1f1b s LYS 137 CO -0.01 -0.20 1.58 0.00 -0.36 0.00 0.00 175.35 176.37 1f1b h LYS 139 N 6.89 -0.48 0.00 0.00 3.64 -1.72 -2.27 116.57 122.63 1f1b h LYS 139 Ca -0.43 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1f1b h LYS 139 Cb 1.20 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1f1b h LYS 139 CO 0.92 -0.32 0.00 0.66 -2.27 0.00 0.00 179.45 178.44 1f1b n TYR 140 N -5.42 0.00 0.50 1.91 4.01 -1.26 -4.08 117.16 112.81 1f1b n TYR 140 Ca -0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.81 1f1b n TYR 140 Cb 0.34 -0.39 0.46 0.00 -0.31 0.00 0.00 39.34 39.43 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 -2.23 -1.04 -3.28 0.00 1.02 -0.85 -5.01 120.64 109.25 1f1b n GLU 142 Ca 0.04 0.92 -0.39 0.00 -0.02 0.00 0.00 57.16 57.71 1f1b n GLU 142 Cb 0.31 -5.08 -0.06 0.00 -0.02 0.00 0.00 31.44 26.60 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 -3.65 4.23 -0.22 3.49 -0.14 -1.26 -4.74 119.74 117.45 1f1b s LYS 143 Ca 0.00 0.65 -0.08 0.00 -1.36 0.00 0.00 55.97 55.19 1f1b s LYS 143 Cb 0.00 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 1f1b s LYS 143 CO 0.00 0.47 0.08 -2.00 -0.76 0.00 0.00 175.35 173.13 1f1b s GLU 144 N -0.48 3.82 0.11 1.68 2.12 -1.25 -1.77 118.70 122.92 1f1b s GLU 144 Ca 0.29 -0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.30 1f1b s GLU 144 Cb -0.18 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1f1b s GLU 144 CO 0.16 0.02 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.62 1f1b s PHE 145 N 1.06 1.95 0.19 5.30 0.40 0.13 -4.89 117.98 122.12 1f1b s PHE 145 Ca 0.04 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 1f1b s PHE 145 Cb -0.14 -1.07 -0.09 0.00 0.51 0.00 0.00 43.02 42.23 1f1b s PHE 145 CO 0.03 0.24 1.32 0.45 0.70 0.00 0.00 175.22 177.96 1f1b s SER 146 N -1.90 6.88 0.64 1.36 0.15 -1.26 0.50 113.70 120.08 1f1b s SER 146 Ca 0.09 2.40 0.20 0.00 0.70 0.00 0.00 55.95 59.34 1f1b s SER 146 Cb -0.10 -2.61 0.97 0.00 -1.71 0.00 0.00 66.02 62.57 1f1b s SER 146 CO 0.05 -0.54 1.52 1.12 1.20 0.00 0.00 173.24 176.58 1f1b h HIS 147 N 5.46 0.00 -0.04 3.44 2.07 -0.80 -0.45 115.15 124.83 1f1b h HIS 147 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1f1b h HIS 147 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1f1b h HIS 147 CO 0.62 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 175.57 1f1b n ASN 148 N -2.95 1.29 0.00 3.10 5.03 -1.26 -3.75 115.26 116.71 1f1b n ASN 148 Ca 0.04 -2.07 0.00 0.00 0.87 0.00 0.00 54.58 53.43 1f1b n ASN 148 Cb 0.81 -0.48 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 1f1b n ASN 148 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1f1b n VAL 149 N 0.02 0.00 -2.00 2.41 0.24 -0.18 -5.07 118.33 113.75 1f1b n VAL 149 Ca 0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.90 1f1b n VAL 149 Cb 0.30 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 1f1b n VAL 149 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f1b s VAL 150 N -0.98 3.08 0.00 3.34 1.01 -1.23 -4.93 120.40 120.69 1f1b s VAL 150 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1f1b s VAL 150 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1f1b s VAL 150 CO 0.00 0.02 0.00 0.18 0.00 0.00 0.00 175.10 175.30 1f1b n LEU 151 N 5.00 0.00 0.00 3.92 7.99 -1.24 -4.94 117.00 127.73 1f1b n LEU 151 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1f1b n LEU 151 Cb 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1f1b n LEU 151 CO 0.61 -0.33 0.00 0.00 -1.51 0.00 0.00 177.39 176.16 1f1b n ALA 152 N -3.00 0.00 0.00 -1.18 0.00 -1.26 -0.91 120.51 114.16 1f1b n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f1b n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1f1b n ALA 152 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77