#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n PHE 12 N 0.00 0.69 0.12 5.64 -0.00 -1.26 -4.31 117.46 118.34 3f1h n PHE 12 Ca 0.00 -0.51 -0.13 0.00 -0.00 0.00 0.00 57.45 56.80 3f1h n PHE 12 Cb 0.00 -0.32 -0.06 0.00 -0.00 0.00 0.00 39.48 39.10 3f1h n PHE 12 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 3f1h h ARG 13 N 0.70 -0.52 -0.82 3.97 0.11 -2.02 -0.83 114.38 114.97 3f1h h ARG 13 Ca 0.08 0.04 0.10 0.00 0.10 0.00 0.00 59.98 60.30 3f1h h ARG 13 Cb 1.19 0.12 -0.12 0.00 1.11 0.00 0.00 29.97 32.27 3f1h h ARG 13 CO 0.21 -0.35 -0.51 -0.39 0.10 0.00 0.00 179.97 179.04 3f1h h VAL 14 N -0.54 0.02 -0.81 0.08 -1.51 -1.95 0.69 116.25 112.23 3f1h h VAL 14 Ca 0.03 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.61 3f1h h VAL 14 Cb 0.57 0.02 -0.06 0.00 -2.13 0.00 0.00 31.29 29.69 3f1h h VAL 14 CO -0.18 0.00 0.53 0.03 -1.23 0.00 0.00 177.57 176.72 3f1h h ARG 15 N -0.11 0.67 0.56 5.19 3.08 -1.71 -1.78 114.38 120.27 3f1h h ARG 15 Ca 0.19 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 3f1h h ARG 15 Cb 0.51 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.42 3f1h h ARG 15 CO -0.85 0.44 -0.27 -0.91 -1.07 0.00 0.00 179.97 177.32 3f1h h ASN 16 N 0.69 -0.63 -0.47 7.04 2.35 0.53 -2.55 115.58 122.54 3f1h h ASN 16 Ca 0.38 -0.05 0.10 0.00 -0.55 0.00 0.00 56.30 56.18 3f1h h ASN 16 Cb 0.54 0.16 -0.10 0.00 0.05 0.00 0.00 38.32 38.98 3f1h h ASN 16 CO -0.15 -0.28 -0.20 -0.09 -1.65 0.00 0.00 177.43 175.06 3f1h h ARG 17 N -1.03 -0.10 -0.94 0.81 2.43 -0.91 0.15 114.38 114.79 3f1h h ARG 17 Ca -0.08 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.30 3f1h h ARG 17 Cb 0.64 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.10 3f1h h ARG 17 CO 0.13 -0.07 0.51 0.82 -1.51 0.00 0.00 179.97 179.85 3f1h h ILE 18 N -0.10 0.62 -0.53 1.20 1.08 -1.36 -1.27 117.51 117.14 3f1h h ILE 18 Ca 0.22 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.44 3f1h h ILE 18 Cb 0.45 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 3f1h h ILE 18 CO -0.53 0.11 0.14 0.11 -0.69 0.00 0.00 178.15 177.28 3f1h h LYS 19 N 0.60 0.80 -0.66 2.37 1.57 -0.26 -1.06 116.57 119.94 3f1h h LYS 19 Ca 0.56 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3f1h h LYS 19 Cb 0.94 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3f1h h LYS 19 CO -0.43 0.72 0.00 0.54 -0.57 0.00 0.00 179.45 179.71 3f1h n ARG 20 N -4.28 1.80 -0.06 3.15 1.74 -0.49 -3.43 116.66 115.08 3f1h n ARG 20 Ca 0.04 -0.75 -0.08 0.00 -0.77 0.00 0.00 57.85 56.28 3f1h n ARG 20 Cb 0.22 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 3f1h n ARG 20 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3f1h n THR 21 N 0.12 1.43 0.00 0.55 -1.04 -0.40 -5.07 114.28 109.87 3f1h n THR 21 Ca 0.07 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 3f1h n THR 21 Cb 0.38 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 3f1h n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3f1h n GLY 22 N 1.65 0.52 3.28 3.41 0.00 -1.22 -5.13 105.19 107.69 3f1h n GLY 22 Ca -0.25 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 3f1h n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h s ARG 23 N 0.00 1.03 -0.50 1.61 0.52 -1.26 -4.90 118.95 115.44 3f1h s ARG 23 Ca 0.00 -1.13 -0.08 0.00 -0.52 0.00 0.00 55.73 54.00 3f1h s ARG 23 Cb 0.00 0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.83 3f1h s ARG 23 CO 0.00 -0.35 0.57 1.28 0.02 0.00 0.00 175.30 176.82 3f1h n LEU 24 N -0.15 -6.84 -4.77 2.53 4.77 -1.26 -4.52 117.00 106.76 3f1h n LEU 24 Ca -0.10 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.73 3f1h n LEU 24 Cb 0.63 -3.10 -0.06 0.00 -2.33 0.00 0.00 43.42 38.56 3f1h n LEU 24 CO 0.24 -1.62 0.50 -0.60 -1.33 0.00 0.00 177.39 174.59 3f1h s ARG 25 N -2.68 4.59 -0.82 3.23 3.52 -0.62 -3.49 118.95 122.68 3f1h s ARG 25 Ca 0.12 1.19 -0.00 0.00 -0.13 0.00 0.00 55.73 56.92 3f1h s ARG 25 Cb -0.03 -3.28 0.20 0.00 -1.56 0.00 0.00 34.95 30.28 3f1h s ARG 25 CO 0.67 0.52 0.67 -1.17 -0.81 0.00 0.00 175.30 175.18 3f1h s LEU 26 N -0.97 5.33 -1.25 -0.88 0.20 -0.46 -1.23 118.68 119.42 3f1h s LEU 26 Ca 0.37 -3.68 -0.20 0.00 0.69 0.00 0.00 54.13 51.32 3f1h s LEU 26 Cb -0.23 -1.83 -0.00 0.00 -0.43 0.00 0.00 46.19 43.69 3f1h s LEU 26 CO 0.27 -0.17 1.84 -1.20 -0.29 0.00 0.00 176.35 176.79 3f1h n SER 27 N 2.35 4.08 -4.57 3.68 7.64 -0.59 -2.46 113.62 123.75 3f1h n SER 27 Ca 0.20 -2.82 -0.40 0.00 1.01 0.00 0.00 58.87 56.86 3f1h n SER 27 Cb 0.36 -1.74 -0.03 0.00 -1.01 0.00 0.00 64.21 61.80 3f1h n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3f1h s VAL 28 N 7.17 3.29 0.20 0.44 1.01 -1.24 -3.39 120.40 127.88 3f1h s VAL 28 Ca 0.60 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 3f1h s VAL 28 Cb 0.02 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3f1h s VAL 28 CO 0.10 -0.50 0.44 0.12 0.00 0.00 0.00 175.10 175.26 3f1h s PHE 29 N 9.05 3.47 -0.24 5.22 2.19 -1.14 -4.54 117.98 131.99 3f1h s PHE 29 Ca 0.80 0.56 -0.06 0.00 0.33 0.00 0.00 56.93 58.56 3f1h s PHE 29 Cb -0.18 -2.02 0.12 0.00 -1.31 0.00 0.00 43.02 39.63 3f1h s PHE 29 CO 0.27 0.34 0.47 -0.98 1.83 0.00 0.00 175.22 177.14 3f1h s ARG 30 N -3.05 0.40 0.00 10.12 1.04 -1.26 -0.56 118.95 125.64 3f1h s ARG 30 Ca 0.42 0.97 0.00 0.00 -1.04 0.00 0.00 55.73 56.08 3f1h s ARG 30 Cb -0.11 0.24 0.00 0.00 -2.04 0.00 0.00 34.95 33.04 3f1h s ARG 30 CO 0.27 -0.39 0.00 0.45 -0.04 0.00 0.00 175.30 175.59 3f1h n SER 31 N 5.40 0.00 0.03 -2.89 2.88 -1.19 -4.94 113.62 112.91 3f1h n SER 31 Ca -0.07 -0.14 0.13 0.00 -1.33 0.00 0.00 58.87 57.46 3f1h n SER 31 Cb 0.50 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.51 3f1h n SER 31 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3f1h n LEU 32 N 0.00 0.19 -0.78 2.46 4.77 -1.26 -3.65 117.00 118.73 3f1h n LEU 32 Ca 0.00 0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 3f1h n LEU 32 Cb 0.00 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 3f1h n LEU 32 CO 0.00 -0.07 0.24 1.17 -1.33 0.00 0.00 177.39 177.40 3f1h n LYS 33 N -1.68 0.00 -4.48 3.23 0.00 -1.26 -5.06 118.16 108.92 3f1h n LYS 33 Ca 0.06 -0.81 -0.23 0.00 0.00 0.00 0.00 58.31 57.34 3f1h n LYS 33 Cb 0.35 -0.01 -0.11 0.00 0.00 0.00 0.00 35.03 35.26 3f1h n LYS 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3f1h s HIS 34 N 0.00 2.06 -0.29 5.64 3.76 -1.24 -4.83 115.29 120.39 3f1h s HIS 34 Ca 0.06 -0.88 -0.19 0.00 -0.15 0.00 0.00 55.06 53.90 3f1h s HIS 34 Cb 0.06 -1.35 0.15 0.00 1.11 0.00 0.00 32.58 32.56 3f1h s HIS 34 CO -0.03 0.12 1.08 -1.50 -0.85 0.00 0.00 174.74 173.56 3f1h s ILE 35 N -3.16 0.00 0.19 0.60 1.10 -1.26 -3.16 121.20 115.51 3f1h s ILE 35 Ca 0.35 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.54 3f1h s ILE 35 Cb 0.08 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.68 3f1h s ILE 35 CO 0.15 0.00 0.16 -1.22 -2.11 0.00 0.00 174.94 171.93 3f1h n TYR 36 N 3.05 -0.47 -3.19 3.50 4.02 0.28 -3.01 117.16 121.34 3f1h n TYR 36 Ca -0.16 -1.62 0.05 0.00 -0.01 0.00 0.00 57.90 56.15 3f1h n TYR 36 Cb 0.57 0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 40.03 3f1h n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3f1h s ALA 37 N -2.78 -3.40 -0.15 -0.72 0.00 -1.24 -2.88 121.76 110.59 3f1h s ALA 37 Ca 0.23 1.56 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 3f1h s ALA 37 Cb 0.01 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 3f1h s ALA 37 CO 0.16 -1.29 0.21 -0.65 0.00 0.00 0.00 175.76 174.19 3f1h s GLN 38 N 2.70 3.97 -0.77 0.00 1.11 -1.22 -3.27 119.66 122.17 3f1h s GLN 38 Ca -0.03 -0.04 -0.17 0.00 0.01 0.00 0.00 55.36 55.13 3f1h s GLN 38 Cb -0.07 -3.34 0.15 0.00 -1.01 0.00 0.00 33.01 28.74 3f1h s GLN 38 CO -0.12 0.46 0.85 0.42 0.01 0.00 0.00 175.29 176.90 3f1h s ILE 39 N -0.15 5.08 -0.16 1.08 -1.09 -0.35 -1.54 121.20 124.07 3f1h s ILE 39 Ca 0.14 -1.70 -0.08 0.00 -2.23 0.00 0.00 60.65 56.78 3f1h s ILE 39 Cb -0.12 -4.57 -0.04 0.00 -1.58 0.00 0.00 42.46 36.15 3f1h s ILE 39 CO 0.03 -1.20 0.10 0.27 -1.23 0.00 0.00 174.94 172.91 3f1h s ILE 40 N 1.77 5.17 -0.33 2.92 -4.36 -0.37 -2.16 121.20 123.85 3f1h s ILE 40 Ca 0.20 0.10 -0.11 0.00 -0.26 0.00 0.00 60.65 60.57 3f1h s ILE 40 Cb -0.14 -3.30 -0.01 0.00 1.25 0.00 0.00 42.46 40.26 3f1h s ILE 40 CO -0.04 0.52 0.20 -0.62 0.24 0.00 0.00 174.94 175.24 3f1h s ASP 41 N -0.19 5.80 0.00 4.36 2.15 0.73 -1.59 116.67 127.93 3f1h s ASP 41 Ca 0.09 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.52 3f1h s ASP 41 Cb -0.12 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 3f1h s ASP 41 CO 0.01 -0.24 0.00 0.47 -0.17 0.00 0.00 175.17 175.24 3f1h n ASP 42 N 5.04 0.00 0.00 -0.34 9.92 -1.26 -1.46 116.55 128.45 3f1h n ASP 42 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 3f1h n ASP 42 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 3f1h n ASP 42 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3f1h n GLU 43 N 0.00 0.00 0.00 -1.24 2.13 -1.26 -3.73 120.64 116.54 3f1h n GLU 43 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3f1h n GLU 43 Cb 0.00 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.45 3f1h n GLU 43 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3f1h n LYS 44 N -0.45 3.88 -1.90 5.31 0.00 -1.26 -5.08 118.16 118.66 3f1h n LYS 44 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 3f1h n LYS 44 Cb 0.00 -0.62 0.02 0.00 -0.00 0.00 0.00 35.03 34.43 3f1h n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3f1h n GLY 45 N 0.68 0.44 2.87 2.58 0.00 -1.03 -5.08 105.19 105.65 3f1h n GLY 45 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3f1h n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1h s VAL 46 N -3.09 0.00 0.22 1.61 1.01 -0.53 -5.01 120.40 114.61 3f1h s VAL 46 Ca 0.11 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.13 3f1h s VAL 46 Cb -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 36.38 36.32 3f1h s VAL 46 CO 0.17 0.01 0.35 -0.89 0.00 0.00 0.00 175.10 174.74 3f1h s THR 47 N 0.06 5.27 0.00 3.92 2.01 -1.26 -0.19 115.64 125.44 3f1h s THR 47 Ca -0.00 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.17 3f1h s THR 47 Cb -0.01 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.68 3f1h s THR 47 CO -0.00 -0.26 0.00 0.18 -0.69 0.00 0.00 174.62 173.84 3f1h n LEU 48 N -1.13 0.00 -4.76 4.42 4.32 -0.92 -4.95 117.00 113.98 3f1h n LEU 48 Ca -0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.50 3f1h n LEU 48 Cb 0.56 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 3f1h n LEU 48 CO 0.46 0.00 1.10 -0.69 -1.22 0.00 0.00 177.39 177.04 3f1h s VAL 49 N 0.90 2.43 -0.29 4.08 1.01 -1.26 -4.88 120.40 122.39 3f1h s VAL 49 Ca 0.00 0.40 0.20 0.00 0.00 0.00 0.00 61.98 62.58 3f1h s VAL 49 Cb 0.00 -3.25 0.48 0.00 0.00 0.00 0.00 36.38 33.61 3f1h s VAL 49 CO 0.00 0.08 1.17 -1.54 0.00 0.00 0.00 175.10 174.81 3f1h n SER 50 N 1.38 0.94 -4.55 3.32 3.41 -1.26 -1.21 113.62 115.65 3f1h n SER 50 Ca 0.03 -2.15 -0.29 0.00 -0.26 0.00 0.00 58.87 56.20 3f1h n SER 50 Cb 0.40 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 3f1h n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f1h n ALA 51 N -0.69 0.63 -1.00 7.33 0.00 -1.20 -4.77 120.51 120.80 3f1h n ALA 51 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3f1h n ALA 51 Cb 0.82 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 17.14 3f1h n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3f1h n SER 52 N 15.97 -0.02 0.00 0.00 7.64 -1.26 -3.72 113.62 132.23 3f1h n SER 52 Ca 0.43 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.13 3f1h n SER 52 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3f1h n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3f1h n SER 53 N -0.60 0.00 -0.17 6.43 2.88 -1.16 -4.53 113.62 116.46 3f1h n SER 53 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 3f1h n SER 53 Cb 0.00 0.01 0.30 0.00 -0.75 0.00 0.00 64.21 63.77 3f1h n SER 53 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3f1h h LEU 54 N 0.00 0.74 -0.24 2.46 -0.00 -1.88 0.37 115.31 116.76 3f1h h LEU 54 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.78 3f1h h LEU 54 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 3f1h h LEU 54 CO 0.00 0.53 -0.39 0.00 -0.00 0.00 0.00 178.44 178.58 3f1h h ALA 55 N 1.59 0.79 -1.80 1.53 0.00 -1.90 -3.38 119.26 116.08 3f1h h ALA 55 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3f1h h ALA 55 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3f1h h ALA 55 CO -0.06 0.49 0.00 -0.11 0.00 0.00 0.00 179.25 179.56 3f1h n LEU 56 N -3.25 1.36 0.00 0.00 7.94 0.80 -5.01 117.00 118.84 3f1h n LEU 56 Ca 0.02 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 3f1h n LEU 56 Cb 0.65 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.40 3f1h n LEU 56 CO 0.38 -0.20 0.00 2.29 -1.11 0.00 0.00 177.39 178.75 3f1h n LYS 57 N -1.10 0.00 -0.68 1.96 0.00 0.93 -4.97 118.16 114.31 3f1h n LYS 57 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 3f1h n LYS 57 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 35.03 35.15 3f1h n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3f1h n LEU 58 N 0.00 -2.04 0.00 -5.58 4.32 -1.15 -4.96 117.00 107.59 3f1h n LEU 58 Ca 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 3f1h n LEU 58 Cb 0.00 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.05 3f1h n LEU 58 CO 0.00 -2.94 0.00 2.29 -1.22 0.00 0.00 177.39 175.52 3f1h n LYS 59 N -0.75 0.00 -3.14 3.23 2.85 -1.26 -4.86 118.16 114.22 3f1h n LYS 59 Ca 0.02 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.30 3f1h n LYS 59 Cb 0.49 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.86 3f1h n LYS 59 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3f1h s GLY 60 N 0.00 -1.30 -0.10 2.58 0.00 -1.26 -5.00 107.32 102.24 3f1h s GLY 60 Ca 0.00 0.53 0.04 0.00 0.00 0.00 0.00 44.72 45.29 3f1h s GLY 60 CO 0.00 3.77 0.81 -2.01 0.00 0.00 0.00 173.10 175.67 3f1h n ASN 61 N 4.48 -0.45 0.00 1.64 4.05 -1.26 -5.00 115.26 118.73 3f1h n ASN 61 Ca 0.09 -1.36 0.00 0.00 0.45 0.00 0.00 54.58 53.76 3f1h n ASN 61 Cb 0.57 0.21 0.00 0.00 1.23 0.00 0.00 39.78 41.79 3f1h n ASN 61 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3f1h n LYS 62 N -0.47 0.00 -0.11 1.20 5.02 -1.26 0.03 118.16 122.57 3f1h n LYS 62 Ca -0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 3f1h n LYS 62 Cb 0.61 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.53 3f1h n LYS 62 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3f1h h THR 63 N 0.00 0.00 -0.25 -0.18 1.35 -1.94 0.71 112.91 112.60 3f1h h THR 63 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 3f1h h THR 63 Cb 0.00 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.35 3f1h h THR 63 CO 0.00 0.00 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.68 3f1h h GLU 64 N -0.41 -0.25 -1.00 4.72 3.07 -0.82 -1.51 114.58 118.38 3f1h h GLU 64 Ca 0.06 0.02 0.21 0.00 -0.50 0.00 0.00 59.36 59.15 3f1h h GLU 64 Cb 0.58 0.06 -0.11 0.00 -0.84 0.00 0.00 28.75 28.44 3f1h h GLU 64 CO -0.54 -0.17 0.61 0.28 -1.40 0.00 0.00 179.01 177.79 3f1h h VAL 65 N -0.26 0.65 0.00 3.13 2.07 -1.10 -2.99 116.25 117.74 3f1h h VAL 65 Ca 0.14 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3f1h h VAL 65 Cb 0.47 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3f1h h VAL 65 CO -0.40 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.31 3f1h n ALA 66 N -2.35 -0.31 -0.08 1.67 0.00 0.23 -2.33 120.51 117.33 3f1h n ALA 66 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 3f1h n ALA 66 Cb 0.65 0.19 -0.02 0.00 0.00 0.00 0.00 19.45 20.27 3f1h n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f1h n ARG 67 N -2.38 -0.09 0.34 0.00 1.74 -1.13 -0.44 116.66 114.70 3f1h n ARG 67 Ca 0.00 0.47 -0.17 0.00 -0.77 0.00 0.00 57.85 57.38 3f1h n ARG 67 Cb 0.00 -0.70 -0.09 0.00 -1.02 0.00 0.00 32.46 30.65 3f1h n ARG 67 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3f1h h GLN 68 N 0.00 -0.80 -0.40 5.56 7.50 -1.68 -0.49 115.11 124.80 3f1h h GLN 68 Ca 0.03 0.05 0.12 0.00 0.50 0.00 0.00 58.65 59.35 3f1h h GLN 68 Cb 0.08 0.18 -0.02 0.00 0.05 0.00 0.00 27.48 27.78 3f1h h GLN 68 CO -0.19 -0.53 0.53 -0.24 -1.50 0.00 0.00 178.83 176.90 3f1h h VAL 69 N -0.83 0.25 0.10 -0.54 3.04 -0.35 0.89 116.25 118.81 3f1h h VAL 69 Ca -0.08 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3f1h h VAL 69 Cb 0.64 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 3f1h h VAL 69 CO 0.13 0.00 -0.05 1.23 -1.01 0.00 0.00 177.57 177.87 3f1h h GLY 70 N 0.00 -0.14 2.00 3.17 0.00 -0.03 -3.23 103.07 104.84 3f1h h GLY 70 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3f1h h GLY 70 CO -0.00 -0.05 0.00 0.54 0.00 0.00 0.00 176.54 177.03 3f1h n ARG 71 N -4.83 0.09 -0.04 4.80 1.74 0.11 -1.93 116.66 116.60 3f1h n ARG 71 Ca -0.07 0.52 -0.14 0.00 -0.77 0.00 0.00 57.85 57.39 3f1h n ARG 71 Cb 0.26 -1.77 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 3f1h n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f1h h ALA 72 N 2.10 0.17 -0.31 7.54 0.00 0.54 -2.97 119.26 126.33 3f1h h ALA 72 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3f1h h ALA 72 Cb 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3f1h h ALA 72 CO 0.00 0.09 0.12 -0.07 0.00 0.00 0.00 179.25 179.39 3f1h h LEU 73 N -0.12 0.14 -0.90 0.00 3.38 -1.42 -3.11 115.31 113.28 3f1h h LEU 73 Ca 0.01 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3f1h h LEU 73 Cb 0.76 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.38 3f1h h LEU 73 CO 0.04 0.12 -0.46 0.00 0.09 0.00 0.00 178.44 178.23 3f1h h ALA 74 N 1.19 -0.15 0.25 1.53 0.00 -1.42 0.47 119.26 121.13 3f1h h ALA 74 Ca 0.14 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3f1h h ALA 74 Cb 0.09 1.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3f1h h ALA 74 CO -0.13 -0.77 -0.41 0.93 0.00 0.00 0.00 179.25 178.87 3f1h h GLU 75 N -0.05 -0.68 0.00 0.00 4.39 -1.47 -2.17 114.58 114.60 3f1h h GLU 75 Ca 0.26 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.00 3f1h h GLU 75 Cb 0.54 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3f1h h GLU 75 CO -0.91 -0.45 0.00 1.63 -1.16 0.00 0.00 179.01 178.12 3f1h n LYS 76 N -4.83 0.10 0.00 2.33 5.02 0.01 -2.37 118.16 118.42 3f1h n LYS 76 Ca -0.08 0.55 -0.01 0.00 -2.02 0.00 0.00 58.31 56.75 3f1h n LYS 76 Cb 0.35 -1.80 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 3f1h n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f1h h ALA 77 N 2.06 -0.11 0.00 7.82 0.00 0.49 -3.31 119.26 126.21 3f1h h ALA 77 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f1h h ALA 77 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3f1h h ALA 77 CO 0.00 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.43 3f1h n LEU 78 N -3.99 0.20 0.00 0.00 4.77 -1.12 -0.82 117.00 116.04 3f1h n LEU 78 Ca -0.01 0.58 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 3f1h n LEU 78 Cb 0.03 -0.59 0.31 0.00 -2.33 0.00 0.00 43.42 40.84 3f1h n LEU 78 CO 0.02 -0.59 0.64 0.00 -1.33 0.00 0.00 177.39 176.13 3f1h n ALA 79 N -1.59 1.75 -0.09 -1.18 0.00 -1.00 -2.80 120.51 115.59 3f1h n ALA 79 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3f1h n ALA 79 Cb 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3f1h n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3f1h n LEU 80 N -1.26 0.02 -1.41 0.00 4.77 0.00 -5.09 117.00 114.04 3f1h n LEU 80 Ca 0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3f1h n LEU 80 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3f1h n LEU 80 CO 0.09 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3f1h n GLY 81 N 0.15 -2.87 3.30 -0.72 0.00 -1.03 -5.13 105.19 98.88 3f1h n GLY 81 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 3f1h n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f1h s ILE 82 N 0.00 0.09 0.00 -0.61 -1.09 -1.25 -4.94 121.20 113.41 3f1h s ILE 82 Ca 0.00 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 3f1h s ILE 82 Cb 0.00 -1.40 0.00 0.00 -1.58 0.00 0.00 42.46 39.48 3f1h s ILE 82 CO 0.00 -0.41 0.00 1.17 -1.23 0.00 0.00 174.94 174.47 3f1h n LYS 83 N -0.17 0.00 -1.86 2.79 4.81 -1.26 -4.77 118.16 117.70 3f1h n LYS 83 Ca -0.13 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.88 3f1h n LYS 83 Cb 0.63 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.65 3f1h n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3f1h s GLN 84 N -0.17 3.26 0.00 1.64 2.00 -1.26 -4.81 119.66 120.31 3f1h s GLN 84 Ca 0.00 1.64 0.15 0.00 -2.00 0.00 0.00 55.36 55.16 3f1h s GLN 84 Cb 0.00 -4.26 0.83 0.00 0.80 0.00 0.00 33.01 30.37 3f1h s GLN 84 CO 0.00 -1.95 1.40 0.28 -0.50 0.00 0.00 175.29 174.51 3f1h n VAL 85 N 7.54 0.37 -1.01 1.34 0.31 -1.26 -4.82 118.33 120.80 3f1h n VAL 85 Ca 0.25 0.09 -0.20 0.00 -0.01 0.00 0.00 64.34 64.48 3f1h n VAL 85 Cb 0.46 -0.84 -0.13 0.00 -0.91 0.00 0.00 33.84 32.41 3f1h n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f1h n ALA 86 N -1.19 0.53 -2.62 3.52 0.00 -1.23 -4.77 120.51 114.75 3f1h n ALA 86 Ca 0.09 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 3f1h n ALA 86 Cb 0.10 -1.59 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 3f1h n ALA 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3f1h s PHE 87 N 2.53 3.10 -1.14 0.00 5.36 -1.26 -1.36 117.98 125.20 3f1h s PHE 87 Ca 0.90 -0.39 -0.22 0.00 -0.96 0.00 0.00 56.93 56.26 3f1h s PHE 87 Cb -0.69 -3.29 -0.08 0.00 -0.34 0.00 0.00 43.02 38.63 3f1h s PHE 87 CO 0.36 -0.89 1.91 -3.47 -1.46 0.00 0.00 175.22 171.68 3f1h n ASP 88 N 5.98 3.23 -3.37 6.13 4.64 -1.03 -4.82 116.55 127.32 3f1h n ASP 88 Ca -0.06 -2.73 -0.31 0.00 -1.38 0.00 0.00 54.79 50.32 3f1h n ASP 88 Cb 0.46 -1.64 -0.05 0.00 -1.04 0.00 0.00 41.12 38.86 3f1h n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3f1h n ARG 89 N 8.04 1.23 -0.60 -0.67 0.63 -1.26 -3.72 116.66 120.31 3f1h n ARG 89 Ca 0.46 -1.39 -0.06 0.00 -0.92 0.00 0.00 57.85 55.94 3f1h n ARG 89 Cb 0.45 -2.57 0.06 0.00 0.45 0.00 0.00 32.46 30.85 3f1h n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1h n GLY 90 N 4.29 -0.80 0.10 5.14 0.00 -1.26 -4.35 105.19 108.31 3f1h n GLY 90 Ca 0.40 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3f1h n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f1h n PRO 91 N 1.10 0.00 -3.03 1.61 -0.02 -1.26 -4.34 135.00 129.06 3f1h n PRO 91 Ca 0.03 0.19 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 3f1h n PRO 91 Cb 0.11 -0.48 -0.05 0.00 -0.02 0.00 0.00 33.50 33.06 3f1h n PRO 91 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3f1h s TYR 92 N -2.35 3.70 0.61 6.00 1.51 -1.26 -5.05 117.35 120.51 3f1h s TYR 92 Ca -0.00 1.40 -0.19 0.00 -1.01 0.00 0.00 57.07 57.26 3f1h s TYR 92 Cb 0.02 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 3f1h s TYR 92 CO 0.07 0.26 1.26 1.17 -1.11 0.00 0.00 175.55 177.21 3f1h n LYS 93 N 2.94 1.25 -2.09 -0.62 4.81 -1.26 -4.89 118.16 118.30 3f1h n LYS 93 Ca -0.03 0.48 -0.32 0.00 -0.87 0.00 0.00 58.31 57.57 3f1h n LYS 93 Cb 0.50 -2.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 3f1h n LYS 93 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3f1h s TYR 94 N -1.37 1.80 0.00 5.64 5.04 -1.26 -4.60 117.35 122.60 3f1h s TYR 94 Ca 0.79 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 3f1h s TYR 94 Cb -0.40 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 37.80 3f1h s TYR 94 CO 0.44 -1.96 0.00 1.58 -1.34 0.00 0.00 175.55 174.26 3f1h n HIS 95 N 13.16 0.00 0.00 4.97 -0.00 -1.26 -4.87 115.22 127.21 3f1h n HIS 95 Ca 0.32 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.50 3f1h n HIS 95 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 3f1h n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3f1h n GLY 96 N 0.39 0.13 0.28 1.57 0.00 -1.26 -4.15 105.19 102.15 3f1h n GLY 96 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3f1h n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f1h h ARG 97 N 0.00 0.27 0.08 1.61 3.08 -1.93 0.59 114.38 118.08 3f1h h ARG 97 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3f1h h ARG 97 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3f1h h ARG 97 CO 0.00 0.19 -0.04 -0.39 -1.07 0.00 0.00 179.97 178.66 3f1h h VAL 98 N 0.27 1.15 0.64 2.04 -1.51 -1.87 0.05 116.25 117.01 3f1h h VAL 98 Ca 0.07 -0.87 -0.03 0.00 -1.23 0.00 0.00 66.70 64.64 3f1h h VAL 98 Cb -0.00 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 3f1h h VAL 98 CO -0.01 0.21 -0.32 0.50 -1.23 0.00 0.00 177.57 176.72 3f1h h LYS 99 N -0.51 -0.84 -0.94 5.19 3.64 -1.52 -2.52 116.57 119.07 3f1h h LYS 99 Ca -0.01 0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.61 3f1h h LYS 99 Cb 0.43 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 3f1h h LYS 99 CO 0.02 -0.56 0.60 0.00 -2.27 0.00 0.00 179.45 177.24 3f1h h ALA 100 N -0.51 1.94 -0.87 5.00 0.00 0.08 0.71 119.26 125.60 3f1h h ALA 100 Ca -0.09 0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.97 3f1h h ALA 100 Cb 0.68 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3f1h h ALA 100 CO 0.13 -0.24 0.50 1.25 0.00 0.00 0.00 179.25 180.89 3f1h h LEU 101 N 0.60 0.70 0.03 0.00 7.12 -0.55 -1.84 115.31 121.37 3f1h h LEU 101 Ca 0.51 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.57 3f1h h LEU 101 Cb 0.98 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 3f1h h LEU 101 CO -0.25 0.37 -0.01 0.00 -0.13 0.00 0.00 178.44 178.42 3f1h h ALA 102 N 1.49 -0.04 -0.45 1.25 0.00 0.21 -2.62 119.26 119.11 3f1h h ALA 102 Ca 0.43 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3f1h h ALA 102 Cb 0.45 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3f1h h ALA 102 CO -0.27 -0.19 -0.14 -1.91 0.00 0.00 0.00 179.25 176.73 3f1h n GLU 103 N -4.80 -0.07 0.05 0.00 2.13 0.20 0.10 120.64 118.25 3f1h n GLU 103 Ca -0.09 0.70 -0.15 0.00 0.66 0.00 0.00 57.16 58.28 3f1h n GLU 103 Cb 0.32 -1.04 -0.14 0.00 0.27 0.00 0.00 31.44 30.85 3f1h n GLU 103 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3f1h h GLY 104 N 0.00 0.22 1.38 8.31 0.00 -1.56 -2.96 103.07 108.45 3f1h h GLY 104 Ca 0.19 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 46.99 3f1h h GLY 104 CO -0.45 0.50 0.27 0.00 0.00 0.00 0.00 176.54 176.85 3f1h h ALA 105 N 0.57 1.63 0.00 3.60 0.00 0.11 -0.35 119.26 124.83 3f1h h ALA 105 Ca -0.24 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.29 3f1h h ALA 105 Cb 2.00 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 3f1h h ALA 105 CO 0.14 -0.35 -2.36 0.54 0.00 0.00 0.00 179.25 177.22 3f1h n ARG 106 N -3.41 0.68 -0.13 0.00 1.74 -0.43 -4.39 116.66 110.73 3f1h n ARG 106 Ca 0.01 0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 3f1h n ARG 106 Cb 0.37 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 3f1h n ARG 106 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3f1h h GLU 107 N 0.00 -0.13 -0.01 5.56 4.39 -0.90 -3.52 114.58 119.98 3f1h h GLU 107 Ca -0.54 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3f1h h GLU 107 Cb 2.19 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.87 3f1h h GLU 107 CO 0.02 -0.09 0.00 0.41 -1.16 0.00 0.00 179.01 178.19