#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwb s ILE 2 N 0.00 1.03 0.12 1.12 1.01 -1.26 -5.11 121.20 118.12 1fwb s ILE 2 Ca 0.00 -0.41 -0.35 0.00 0.00 0.00 0.00 60.65 59.89 1fwb s ILE 2 Cb 0.00 -1.12 -0.15 0.00 0.01 0.00 0.00 42.46 41.19 1fwb s ILE 2 CO 0.00 0.27 1.46 -2.65 0.00 0.00 0.00 174.94 174.01 1fwb n PRO 3 N 4.92 1.65 -1.82 2.79 -0.02 -1.26 -2.20 135.00 139.07 1fwb n PRO 3 Ca -0.12 0.59 -0.20 0.00 -2.02 0.00 0.00 63.50 61.75 1fwb n PRO 3 Cb 0.49 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1fwb n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwb n GLY 4 N 2.96 1.22 3.76 -1.23 0.00 -1.26 -4.97 105.19 105.67 1fwb n GLY 4 Ca 0.18 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1fwb n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fwb s GLU 5 N -4.08 2.92 0.21 1.61 -1.05 -0.93 -5.03 118.70 112.34 1fwb s GLU 5 Ca 0.00 1.59 -0.01 0.00 -0.15 0.00 0.00 54.97 56.40 1fwb s GLU 5 Cb 0.00 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 1fwb s GLU 5 CO 0.00 -1.19 0.41 0.71 0.95 0.00 0.00 175.26 176.13 1fwb s TYR 6 N -1.97 3.48 -0.53 4.83 4.12 -1.26 -5.04 117.35 120.98 1fwb s TYR 6 Ca 0.72 0.38 0.05 0.00 0.02 0.00 0.00 57.07 58.24 1fwb s TYR 6 Cb -0.25 -1.89 0.18 0.00 -1.52 0.00 0.00 41.96 38.48 1fwb s TYR 6 CO 0.36 0.36 0.42 1.58 0.02 0.00 0.00 175.55 178.29 1fwb n HIS 7 N -0.65 0.85 -2.50 2.71 -0.00 -1.26 -5.09 115.22 109.28 1fwb n HIS 7 Ca -0.04 -3.73 -0.42 0.00 -0.00 0.00 0.00 57.72 53.53 1fwb n HIS 7 Cb 0.54 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.99 30.37 1fwb n HIS 7 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1fwb s VAL 8 N -0.67 4.27 0.21 3.57 1.01 -1.26 -5.02 120.40 122.51 1fwb s VAL 8 Ca 0.30 1.63 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 1fwb s VAL 8 Cb 0.02 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1fwb s VAL 8 CO -0.18 0.10 1.04 -1.59 0.00 0.00 0.00 175.10 174.47 1fwb s LYS 9 N 1.28 4.69 0.63 2.72 -2.85 -1.26 -5.00 119.74 119.95 1fwb s LYS 9 Ca 0.56 1.64 -0.18 0.00 -1.00 0.00 0.00 55.97 56.99 1fwb s LYS 9 Cb -0.26 -3.27 -0.02 0.00 -2.06 0.00 0.00 37.83 32.21 1fwb s LYS 9 CO 0.27 0.25 1.25 -1.25 0.10 0.00 0.00 175.35 175.97 1fwb s PRO 10 N -0.78 2.73 0.00 1.78 0.04 -1.26 -4.93 135.00 132.58 1fwb s PRO 10 Ca 0.46 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1fwb s PRO 10 Cb -0.28 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1fwb s PRO 10 CO 0.35 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1fwb n GLY 11 N 0.67 0.62 3.07 0.56 0.00 -1.26 -5.13 105.19 103.71 1fwb n GLY 11 Ca 0.15 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 1fwb n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fwb s GLN 12 N -2.00 0.53 -0.15 1.61 -0.21 -1.26 -5.15 119.66 113.04 1fwb s GLN 12 Ca 0.00 -0.94 -0.03 0.00 0.02 0.00 0.00 55.36 54.41 1fwb s GLN 12 Cb 0.00 0.19 -0.02 0.00 1.00 0.00 0.00 33.01 34.18 1fwb s GLN 12 CO 0.00 -0.11 -0.06 0.42 -2.12 0.00 0.00 175.29 173.42 1fwb s ILE 13 N -2.96 3.67 -0.18 1.08 -1.09 -1.26 -5.09 121.20 115.37 1fwb s ILE 13 Ca -0.02 -0.44 -0.20 0.00 -2.23 0.00 0.00 60.65 57.76 1fwb s ILE 13 Cb 0.01 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 1fwb s ILE 13 CO -0.06 0.50 0.59 0.00 -1.23 0.00 0.00 174.94 174.74 1fwb s ALA 14 N 0.32 3.52 0.07 9.38 0.00 -1.26 -5.06 121.76 128.73 1fwb s ALA 14 Ca -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 1fwb s ALA 14 Cb -0.15 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1fwb s ALA 14 CO 0.04 -0.45 0.29 -0.51 0.00 0.00 0.00 175.76 175.13 1fwb s LEU 15 N 1.66 4.33 -1.43 0.00 1.43 -1.26 -4.59 118.68 118.82 1fwb s LEU 15 Ca 0.28 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.81 1fwb s LEU 15 Cb -0.16 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.11 1fwb s LEU 15 CO 0.11 0.16 0.28 0.59 0.23 0.00 0.00 176.35 177.72 1fwb n ASN 16 N 0.56 -0.58 -4.78 2.29 5.03 -1.26 -4.91 115.26 111.61 1fwb n ASN 16 Ca -0.07 -1.18 -0.35 0.00 0.87 0.00 0.00 54.58 53.85 1fwb n ASN 16 Cb 0.52 -2.19 -0.03 0.00 -1.02 0.00 0.00 39.78 37.06 1fwb n ASN 16 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1fwb s THR 17 N -4.07 3.56 -0.70 3.41 -4.23 -1.26 -3.78 115.64 108.56 1fwb s THR 17 Ca 0.10 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 1fwb s THR 17 Cb -0.05 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1fwb s THR 17 CO 0.95 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 1fwb n GLY 18 N 0.12 0.39 3.18 3.99 0.00 -1.26 -5.04 105.19 106.57 1fwb n GLY 18 Ca 0.08 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 1fwb n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwb s ARG 19 N -3.75 1.10 0.30 1.61 0.52 -1.25 -5.12 118.95 112.38 1fwb s ARG 19 Ca 0.00 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 1fwb s ARG 19 Cb 0.00 -1.15 -0.11 0.00 0.52 0.00 0.00 34.95 34.21 1fwb s ARG 19 CO 0.00 0.29 1.56 0.00 0.02 0.00 0.00 175.30 177.17 1fwb s ALA 20 N -0.81 3.70 0.21 2.13 0.00 -1.26 -4.87 121.76 120.86 1fwb s ALA 20 Ca 0.04 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.57 1fwb s ALA 20 Cb -0.08 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 1fwb s ALA 20 CO 0.01 -0.97 0.01 0.95 0.00 0.00 0.00 175.76 175.76 1fwb s THR 21 N -0.20 0.85 -0.08 0.00 -4.23 -1.26 -1.07 115.64 109.64 1fwb s THR 21 Ca 0.61 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.82 1fwb s THR 21 Cb -0.47 -2.29 0.07 0.00 1.34 0.00 0.00 72.50 71.15 1fwb s THR 21 CO 0.50 -0.35 0.66 0.00 -0.54 0.00 0.00 174.62 174.89 1fwb s ARG 23 N -0.97 3.08 -0.00 0.00 0.52 -1.26 0.25 118.95 120.58 1fwb s ARG 23 Ca -0.10 -0.38 -0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1fwb s ARG 23 Cb -0.01 -2.88 -0.00 0.00 0.52 0.00 0.00 34.95 32.58 1fwb s ARG 23 CO 0.08 0.70 0.01 0.08 0.02 0.00 0.00 175.30 176.19 1fwb s VAL 24 N -1.00 0.02 -0.20 3.52 1.01 -0.28 -4.97 120.40 118.49 1fwb s VAL 24 Ca 0.16 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 1fwb s VAL 24 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1fwb s VAL 24 CO 0.06 -0.07 0.46 -0.69 0.00 0.00 0.00 175.10 174.86 1fwb s VAL 25 N -0.22 5.15 0.02 2.92 1.01 -1.26 -0.50 120.40 127.53 1fwb s VAL 25 Ca -0.02 0.83 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1fwb s VAL 25 Cb -0.02 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1fwb s VAL 25 CO -0.00 0.21 -0.26 -0.69 0.00 0.00 0.00 175.10 174.36 1fwb s VAL 26 N 1.53 2.16 -0.04 2.92 1.01 0.84 -4.56 120.40 124.25 1fwb s VAL 26 Ca 0.21 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1fwb s VAL 26 Cb -0.15 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1fwb s VAL 26 CO 0.09 0.44 -0.02 -0.70 0.00 0.00 0.00 175.10 174.91 1fwb s GLU 27 N -1.04 0.59 -0.51 2.72 2.12 -0.80 -0.68 118.70 121.11 1fwb s GLU 27 Ca 0.11 0.00 -0.27 0.00 0.36 0.00 0.00 54.97 55.17 1fwb s GLU 27 Cb -0.10 -0.73 0.03 0.00 0.26 0.00 0.00 34.13 33.59 1fwb s GLU 27 CO 0.01 -0.14 1.08 1.21 -0.54 0.00 0.00 175.26 176.88 1fwb s ASN 28 N 1.15 6.52 0.00 -1.70 2.47 0.28 -0.43 114.94 123.23 1fwb s ASN 28 Ca -0.08 0.19 0.26 0.00 0.42 0.00 0.00 52.86 53.65 1fwb s ASN 28 Cb -0.14 -2.51 0.75 0.00 -1.45 0.00 0.00 41.25 37.90 1fwb s ASN 28 CO -0.01 -1.26 1.57 1.41 -3.72 0.00 0.00 177.10 175.09 1fwb n HIS 29 N 7.78 0.04 -2.23 0.43 8.25 -0.38 -0.63 115.22 128.49 1fwb n HIS 29 Ca 0.08 -0.02 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 1fwb n HIS 29 Cb 0.49 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.67 1fwb n HIS 29 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fwb s GLY 30 N -1.95 1.70 0.00 -1.41 0.00 -1.25 -4.91 107.32 99.50 1fwb s GLY 30 Ca 0.35 -0.99 0.22 0.00 0.00 0.00 0.00 44.72 44.30 1fwb s GLY 30 CO 0.32 -0.57 1.45 2.09 0.00 0.00 0.00 173.10 176.39 1fwb n ASP 31 N -2.93 3.44 -4.14 1.64 5.75 -1.26 -4.06 116.55 115.00 1fwb n ASP 31 Ca 0.09 -1.98 -0.19 0.00 -0.01 0.00 0.00 54.79 52.70 1fwb n ASP 31 Cb 0.60 -0.32 -0.13 0.00 -1.03 0.00 0.00 41.12 40.25 1fwb n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1fwb s ARG 32 N -1.36 0.83 0.55 0.11 0.52 -1.26 -4.85 118.95 113.50 1fwb s ARG 32 Ca 0.41 -0.82 -0.20 0.00 -0.52 0.00 0.00 55.73 54.60 1fwb s ARG 32 Cb 0.23 -0.82 -0.05 0.00 0.52 0.00 0.00 34.95 34.84 1fwb s ARG 32 CO 0.31 0.19 1.24 -1.25 0.02 0.00 0.00 175.30 175.81 1fwb s PRO 33 N -1.40 3.17 -0.06 3.54 0.04 -1.26 -4.46 135.00 134.57 1fwb s PRO 33 Ca -0.01 1.92 0.02 0.00 0.04 0.00 0.00 61.00 62.97 1fwb s PRO 33 Cb -0.09 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1fwb s PRO 33 CO 0.02 -1.07 -0.10 0.42 0.04 0.00 0.00 177.00 176.30 1fwb s ILE 34 N -1.50 0.96 -0.10 0.56 1.01 -0.29 -4.99 121.20 116.85 1fwb s ILE 34 Ca 0.73 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1fwb s ILE 34 Cb -0.33 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1fwb s ILE 34 CO 0.37 0.32 -0.21 -1.58 0.00 0.00 0.00 174.94 173.84 1fwb s GLN 35 N 0.77 2.68 -0.11 2.79 0.74 -1.26 0.19 119.66 125.45 1fwb s GLN 35 Ca -0.13 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.54 1fwb s GLN 35 Cb -0.15 -2.08 -0.02 0.00 1.10 0.00 0.00 33.01 31.86 1fwb s GLN 35 CO 0.02 0.11 -0.13 0.08 -0.55 0.00 0.00 175.29 174.83 1fwb s VAL 36 N 0.50 3.11 0.69 1.34 1.01 -0.15 -4.96 120.40 121.94 1fwb s VAL 36 Ca -0.16 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1fwb s VAL 36 Cb -0.17 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1fwb s VAL 36 CO 0.06 0.54 1.07 -0.83 0.00 0.00 0.00 175.10 175.94 1fwb s GLY 37 N 0.08 1.64 0.42 4.51 0.00 -1.26 -1.79 107.32 110.92 1fwb s GLY 37 Ca -0.05 -0.17 0.11 0.00 0.00 0.00 0.00 44.72 44.60 1fwb s GLY 37 CO 0.04 0.17 2.00 1.48 0.00 0.00 0.00 173.10 176.79 1fwb h SER 38 N -0.64 0.43 -0.34 1.64 4.64 -1.71 -3.10 113.55 114.47 1fwb h SER 38 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1fwb h SER 38 Cb 1.23 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1fwb h SER 38 CO 0.61 0.28 0.00 1.41 -0.87 0.00 0.00 176.83 178.26 1fwb n HIS 39 N -4.47 0.45 -2.41 4.77 8.25 -1.26 -3.03 115.22 117.52 1fwb n HIS 39 Ca 0.08 -0.41 -0.40 0.00 -0.26 0.00 0.00 57.72 56.72 1fwb n HIS 39 Cb 0.25 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 1fwb n HIS 39 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1fwb s TYR 40 N -1.02 3.49 -0.52 4.41 5.04 -1.17 -4.92 117.35 122.66 1fwb s TYR 40 Ca 0.25 1.63 -0.27 0.00 -2.44 0.00 0.00 57.07 56.24 1fwb s TYR 40 Cb 0.14 -3.36 -0.03 0.00 0.35 0.00 0.00 41.96 39.06 1fwb s TYR 40 CO 0.18 -0.81 1.96 -1.58 -1.34 0.00 0.00 175.55 173.97 1fwb s HIS 41 N -1.01 1.57 0.38 4.97 5.65 -1.26 -4.45 115.29 121.14 1fwb s HIS 41 Ca 0.46 0.90 0.15 0.00 0.25 0.00 0.00 55.06 56.82 1fwb s HIS 41 Cb -0.33 -4.00 1.00 0.00 -1.18 0.00 0.00 32.58 28.07 1fwb s HIS 41 CO 0.42 -2.53 1.81 0.35 -0.65 0.00 0.00 174.74 174.15 1fwb h PHE 42 N 15.42 0.71 0.00 3.88 3.57 -1.49 -0.78 116.94 138.25 1fwb h PHE 42 Ca -0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1fwb h PHE 42 Cb 1.19 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1fwb h PHE 42 CO 1.01 0.15 0.00 0.00 -2.23 0.00 0.00 178.31 177.24 1fwb h ALA 43 N 1.62 1.00 -0.23 2.41 0.00 -1.77 -2.63 119.26 119.65 1fwb h ALA 43 Ca 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.38 1fwb h ALA 43 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1fwb h ALA 43 CO -0.26 0.00 -0.05 0.39 0.00 0.00 0.00 179.25 179.33 1fwb n GLU 44 N -2.48 2.21 -1.18 0.00 1.02 -0.30 -4.96 120.64 114.95 1fwb n GLU 44 Ca -0.01 -2.93 -0.30 0.00 -0.02 0.00 0.00 57.16 53.91 1fwb n GLU 44 Cb 0.10 -1.76 0.22 0.00 -0.02 0.00 0.00 31.44 29.98 1fwb n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1fwb s VAL 45 N -2.99 1.71 -0.11 2.62 -7.23 -0.99 -4.48 120.40 108.92 1fwb s VAL 45 Ca 0.41 0.00 -0.39 0.00 -1.81 0.00 0.00 61.98 60.19 1fwb s VAL 45 Cb 0.35 -2.54 -0.17 0.00 0.56 0.00 0.00 36.38 34.58 1fwb s VAL 45 CO 0.04 0.00 1.48 -3.20 -0.31 0.00 0.00 175.10 173.11 1fwb n ASN 46 N -4.56 1.69 0.31 4.85 2.85 -1.26 -4.82 115.26 114.33 1fwb n ASN 46 Ca 0.12 1.11 0.13 0.00 -0.11 0.00 0.00 54.58 55.83 1fwb n ASN 46 Cb 0.59 -1.12 0.70 0.00 1.24 0.00 0.00 39.78 41.20 1fwb n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1fwb h PRO 47 N 5.40 0.00 0.00 1.20 0.11 -1.99 -1.23 132.00 135.49 1fwb h PRO 47 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1fwb h PRO 47 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1fwb h PRO 47 CO 0.85 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.56 1fwb h ALA 48 N 1.24 1.00 -2.07 -0.75 0.00 -1.96 -3.42 119.26 113.31 1fwb h ALA 48 Ca 0.00 -0.07 -0.58 0.00 0.00 0.00 0.00 54.91 54.26 1fwb h ALA 48 Cb 0.73 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1fwb h ALA 48 CO 0.00 0.09 0.76 -0.51 0.00 0.00 0.00 179.25 179.60 1fwb s LEU 49 N -6.36 4.04 -0.25 0.00 1.43 -0.47 -1.25 118.68 115.82 1fwb s LEU 49 Ca 0.02 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.19 1fwb s LEU 49 Cb 0.09 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 1fwb s LEU 49 CO 0.59 -0.72 0.25 -0.75 0.23 0.00 0.00 176.35 175.95 1fwb s LYS 50 N 3.30 4.03 0.23 1.70 2.20 0.42 -4.91 119.74 126.73 1fwb s LYS 50 Ca 0.43 -0.14 -0.20 0.00 -0.36 0.00 0.00 55.97 55.69 1fwb s LYS 50 Cb -0.14 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.65 1fwb s LYS 50 CO 0.10 -0.11 0.99 -0.59 -0.36 0.00 0.00 175.35 175.38 1fwb s PHE 51 N 1.55 0.10 -1.02 4.03 -0.12 -1.26 -1.91 117.98 119.35 1fwb s PHE 51 Ca 0.11 -0.57 -0.23 0.00 -0.05 0.00 0.00 56.93 56.19 1fwb s PHE 51 Cb -0.15 0.74 0.05 0.00 -0.63 0.00 0.00 43.02 43.02 1fwb s PHE 51 CO 0.08 -1.07 1.48 0.34 -0.05 0.00 0.00 175.22 176.00 1fwb s ASP 52 N -3.39 6.45 0.53 1.98 -1.08 -1.26 -4.81 116.67 115.10 1fwb s ASP 52 Ca 0.22 -1.44 0.20 0.00 -0.52 0.00 0.00 52.55 51.00 1fwb s ASP 52 Cb -0.03 -2.57 1.42 0.00 -1.46 0.00 0.00 42.92 40.27 1fwb s ASP 52 CO 0.07 -1.55 2.17 0.03 0.52 0.00 0.00 175.17 176.40 1fwb h ARG 53 N 9.80 0.00 -0.44 4.34 2.47 -1.97 -2.09 114.38 126.49 1fwb h ARG 53 Ca 0.20 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.82 1fwb h ARG 53 Cb 1.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.31 1fwb h ARG 53 CO 1.42 0.02 -0.15 0.37 0.56 0.00 0.00 179.97 182.19 1fwb h GLN 54 N 0.00 0.83 -0.09 0.04 4.15 -1.95 -2.91 115.11 115.18 1fwb h GLN 54 Ca -0.00 -0.30 -0.15 0.00 0.77 0.00 0.00 58.65 58.97 1fwb h GLN 54 Cb 0.03 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1fwb h GLN 54 CO 0.00 0.93 -0.59 0.37 -1.93 0.00 0.00 178.83 177.61 1fwb h GLN 55 N 0.74 0.29 0.00 1.69 5.75 -1.79 -3.13 115.11 118.66 1fwb h GLN 55 Ca 0.12 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1fwb h GLN 55 Cb 0.66 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1fwb h GLN 55 CO 0.05 0.80 0.00 0.00 -2.65 0.00 0.00 178.83 177.02 1fwb n ALA 56 N -2.48 2.58 -1.64 3.38 0.00 -1.10 -4.88 120.51 116.38 1fwb n ALA 56 Ca -0.03 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1fwb n ALA 56 Cb 0.61 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1fwb n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fwb n ALA 57 N -1.02 1.63 -0.86 0.00 0.00 -1.15 -1.57 120.51 117.54 1fwb n ALA 57 Ca 0.21 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1fwb n ALA 57 Cb 0.11 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 16.81 1fwb n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwb n GLY 58 N 4.93 0.50 3.54 0.00 0.00 -1.26 -5.01 105.19 107.88 1fwb n GLY 58 Ca 0.23 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1fwb n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwb s TYR 59 N -2.00 2.44 0.19 1.61 2.02 -0.61 -0.71 117.35 120.29 1fwb s TYR 59 Ca 0.00 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1fwb s TYR 59 Cb 0.00 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 1fwb s TYR 59 CO 0.00 0.68 0.11 -0.98 -1.57 0.00 0.00 175.55 173.78 1fwb s ARG 60 N -3.58 1.15 0.18 -0.62 1.70 -0.41 -1.41 118.95 115.96 1fwb s ARG 60 Ca 0.31 -1.59 -0.31 0.00 -0.47 0.00 0.00 55.73 53.66 1fwb s ARG 60 Cb -0.05 0.20 -0.09 0.00 -0.57 0.00 0.00 34.95 34.44 1fwb s ARG 60 CO 0.17 -0.34 1.44 -0.51 -1.08 0.00 0.00 175.30 174.97 1fwb s LEU 61 N -3.15 4.38 -1.37 -1.89 1.43 -1.17 -0.44 118.68 116.47 1fwb s LEU 61 Ca 0.35 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 1fwb s LEU 61 Cb 0.07 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.79 1fwb s LEU 61 CO 0.10 -0.69 2.10 -3.20 0.23 0.00 0.00 176.35 174.88 1fwb n ASN 62 N 3.32 4.97 -4.19 2.29 2.85 -0.20 -4.68 115.26 119.61 1fwb n ASN 62 Ca 0.10 -2.98 -0.13 0.00 -0.11 0.00 0.00 54.58 51.46 1fwb n ASN 62 Cb 0.41 -1.54 -0.10 0.00 1.24 0.00 0.00 39.78 39.78 1fwb n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1fwb s ILE 63 N 1.45 0.89 0.29 -1.44 -4.36 -1.26 -4.93 121.20 111.84 1fwb s ILE 63 Ca 0.45 -1.85 -0.29 0.00 -0.26 0.00 0.00 60.65 58.70 1fwb s ILE 63 Cb 0.12 -1.59 -0.13 0.00 1.25 0.00 0.00 42.46 42.11 1fwb s ILE 63 CO -0.04 -0.73 1.20 -0.81 0.24 0.00 0.00 174.94 174.80 1fwb n PRO 64 N 0.15 1.75 -1.60 0.37 -0.04 -1.26 -4.84 135.00 129.52 1fwb n PRO 64 Ca -0.13 0.62 -0.48 0.00 -0.04 0.00 0.00 63.50 63.46 1fwb n PRO 64 Cb 0.60 -2.13 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 1fwb n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fwb n ALA 65 N 0.69 -0.32 -0.26 0.55 0.00 -1.26 -1.98 120.51 117.93 1fwb n ALA 65 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1fwb n ALA 65 Cb 0.33 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1fwb n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwb n GLY 66 N 2.23 1.26 4.03 0.00 0.00 -1.26 -5.05 105.19 106.40 1fwb n GLY 66 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1fwb n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwb s THR 67 N -2.81 2.20 0.21 2.61 -4.23 -0.84 -4.92 115.64 107.86 1fwb s THR 67 Ca 0.00 -0.93 -0.09 0.00 -1.18 0.00 0.00 61.69 59.49 1fwb s THR 67 Cb 0.00 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1fwb s THR 67 CO 0.00 0.00 0.34 0.00 -0.54 0.00 0.00 174.62 174.42 1fwb s ALA 68 N -2.73 0.17 -0.12 3.99 0.00 -1.26 -1.94 121.76 119.87 1fwb s ALA 68 Ca 0.62 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1fwb s ALA 68 Cb -0.06 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1fwb s ALA 68 CO 0.40 -0.73 -0.17 0.08 0.00 0.00 0.00 175.76 175.33 1fwb s VAL 69 N -4.04 1.69 -0.06 0.00 1.01 -0.74 -4.97 120.40 113.29 1fwb s VAL 69 Ca 0.25 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1fwb s VAL 69 Cb 0.02 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1fwb s VAL 69 CO 0.07 0.48 0.13 -0.60 0.00 0.00 0.00 175.10 175.18 1fwb s ARG 70 N 0.99 3.32 -0.24 2.72 3.52 -1.26 -0.98 118.95 127.03 1fwb s ARG 70 Ca -0.05 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1fwb s ARG 70 Cb -0.15 -3.06 0.06 0.00 -1.56 0.00 0.00 34.95 30.24 1fwb s ARG 70 CO -0.03 0.72 -0.03 -0.06 -0.81 0.00 0.00 175.30 175.09 1fwb s PHE 71 N -1.14 2.22 0.75 5.12 0.08 0.13 -4.99 117.98 120.15 1fwb s PHE 71 Ca 0.20 -1.67 -0.11 0.00 0.12 0.00 0.00 56.93 55.47 1fwb s PHE 71 Cb -0.12 -1.55 0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1fwb s PHE 71 CO 0.10 -0.76 1.08 -1.21 -0.10 0.00 0.00 175.22 174.33 1fwb s GLU 72 N 1.45 2.46 0.15 0.44 0.41 -1.26 -1.14 118.70 121.22 1fwb s GLU 72 Ca -0.04 0.80 -0.33 0.00 -0.41 0.00 0.00 54.97 54.99 1fwb s GLU 72 Cb -0.19 -1.95 -0.13 0.00 -1.78 0.00 0.00 34.13 30.08 1fwb s GLU 72 CO -0.07 -1.40 1.64 -2.30 -0.49 0.00 0.00 175.26 172.64 1fwb n PRO 73 N -3.31 2.31 -0.30 0.39 -0.02 -1.26 -1.35 135.00 131.45 1fwb n PRO 73 Ca 0.07 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1fwb n PRO 73 Cb 0.55 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1fwb n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwb n GLY 74 N 3.64 1.81 3.75 -1.23 0.00 0.20 -5.01 105.19 108.34 1fwb n GLY 74 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1fwb n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fwb s GLN 75 N -0.21 4.49 -0.03 1.61 0.74 -0.46 -4.68 119.66 121.12 1fwb s GLN 75 Ca 0.00 1.94 0.06 0.00 0.05 0.00 0.00 55.36 57.40 1fwb s GLN 75 Cb 0.00 -3.20 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 1fwb s GLN 75 CO 0.00 -0.06 -0.20 0.21 -0.55 0.00 0.00 175.29 174.69 1fwb s LYS 76 N -0.71 1.87 0.01 1.67 2.20 -1.26 -0.55 119.74 122.98 1fwb s LYS 76 Ca 0.51 -0.72 -0.28 0.00 -0.36 0.00 0.00 55.97 55.12 1fwb s LYS 76 Cb -0.34 -1.69 0.09 0.00 -1.51 0.00 0.00 37.83 34.38 1fwb s LYS 76 CO 0.40 0.36 0.80 -0.98 -0.36 0.00 0.00 175.35 175.57 1fwb s ARG 77 N -0.24 0.94 -0.20 4.03 1.70 0.15 -4.99 118.95 120.34 1fwb s ARG 77 Ca 0.02 -0.22 -0.10 0.00 -0.47 0.00 0.00 55.73 54.95 1fwb s ARG 77 Cb -0.10 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 1fwb s ARG 77 CO 0.01 -0.39 0.14 -2.00 -1.08 0.00 0.00 175.30 171.99 1fwb s GLU 78 N -2.80 4.19 0.20 3.89 2.12 -1.26 -0.11 118.70 124.92 1fwb s GLU 78 Ca 0.01 -0.20 0.11 0.00 0.36 0.00 0.00 54.97 55.25 1fwb s GLU 78 Cb -0.01 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1fwb s GLU 78 CO -0.06 0.28 -0.22 0.14 -0.54 0.00 0.00 175.26 174.85 1fwb s VAL 79 N 0.42 2.44 -0.16 3.70 -7.23 0.35 -4.94 120.40 114.98 1fwb s VAL 79 Ca 0.08 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1fwb s VAL 79 Cb -0.11 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 1fwb s VAL 79 CO -0.01 -0.15 0.02 -0.70 -0.31 0.00 0.00 175.10 173.95 1fwb s GLU 80 N -2.78 3.71 0.15 4.82 2.12 -1.26 -1.12 118.70 124.33 1fwb s GLU 80 Ca 0.22 -0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.21 1fwb s GLU 80 Cb -0.08 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1fwb s GLU 80 CO 0.11 0.34 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.64 1fwb s LEU 81 N 0.14 3.30 -0.02 2.70 1.02 0.14 -1.03 118.68 124.92 1fwb s LEU 81 Ca 0.02 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 53.85 1fwb s LEU 81 Cb -0.13 -1.99 -0.00 0.00 0.02 0.00 0.00 46.19 44.09 1fwb s LEU 81 CO 0.02 0.12 -0.12 0.54 0.02 0.00 0.00 176.35 176.92 1fwb s VAL 82 N -1.57 1.00 0.41 -1.59 0.11 0.41 -1.43 120.40 117.74 1fwb s VAL 82 Ca 0.26 -0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 58.56 1fwb s VAL 82 Cb -0.10 -0.86 -0.08 0.00 -1.53 0.00 0.00 36.38 33.81 1fwb s VAL 82 CO 0.18 0.29 1.25 0.00 -3.33 0.00 0.00 175.10 173.50 1fwb s ALA 83 N -0.01 3.21 0.75 1.54 0.00 -0.24 -1.29 121.76 125.73 1fwb s ALA 83 Ca -0.00 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 1fwb s ALA 83 Cb -0.08 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.64 1fwb s ALA 83 CO 0.00 -0.73 1.16 -0.06 0.00 0.00 0.00 175.76 176.13 1fwb s PHE 84 N -1.31 2.17 0.00 0.00 0.08 0.11 -4.89 117.98 114.14 1fwb s PHE 84 Ca 0.57 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.24 1fwb s PHE 84 Cb -0.35 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 1fwb s PHE 84 CO 0.45 -2.33 0.00 0.00 -0.10 0.00 0.00 175.22 173.24 1fwb n ALA 85 N -3.02 0.00 -0.79 5.36 0.00 -1.26 -4.84 120.51 115.96 1fwb n ALA 85 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1fwb n ALA 85 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1fwb n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwb n GLY 86 N 4.19 2.77 0.00 0.00 0.00 -1.26 -1.38 105.19 109.51 1fwb n GLY 86 Ca 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.84 1fwb n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwb n HIS 87 N 13.59 0.00 -3.58 1.61 8.25 -1.26 -4.92 115.22 128.90 1fwb n HIS 87 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1fwb n HIS 87 Cb 0.00 -0.45 0.05 0.00 1.12 0.00 0.00 29.99 30.72 1fwb n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fwb n ARG 88 N -1.50 -4.89 -4.78 -0.41 1.74 -0.48 -4.76 116.66 101.58 1fwb n ARG 88 Ca 0.07 0.70 -0.32 0.00 -0.77 0.00 0.00 57.85 57.53 1fwb n ARG 88 Cb 0.34 -5.36 -0.17 0.00 -1.02 0.00 0.00 32.46 26.25 1fwb n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fwb s ALA 89 N -3.55 2.15 -0.24 7.54 0.00 -1.26 -0.35 121.76 126.06 1fwb s ALA 89 Ca 0.07 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 1fwb s ALA 89 Cb -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1fwb s ALA 89 CO 0.79 0.05 0.03 0.08 0.00 0.00 0.00 175.76 176.70 1fwb s VAL 90 N 0.71 3.96 -0.04 0.00 1.01 0.11 -4.92 120.40 121.23 1fwb s VAL 90 Ca -0.10 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1fwb s VAL 90 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1fwb s VAL 90 CO 0.01 0.37 -0.13 -0.36 0.00 0.00 0.00 175.10 174.99 1fwb s PHE 91 N 1.56 1.37 0.00 5.22 0.40 -1.26 -0.91 117.98 124.36 1fwb s PHE 91 Ca 0.06 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1fwb s PHE 91 Cb -0.15 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.42 1fwb s PHE 91 CO 0.01 -0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.17 1fwb n GLY 92 N 3.39 0.47 7.00 4.36 0.00 -1.26 -4.99 105.19 114.15 1fwb n GLY 92 Ca -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1fwb n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fwb n PHE 93 N 0.00 0.00 0.07 1.61 3.01 -1.26 -0.42 117.46 120.47 1fwb n PHE 93 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.56 1fwb n PHE 93 Cb 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 39.74 1fwb n PHE 93 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1fwb n ARG 94 N 14.00 2.41 -2.41 -1.08 1.74 -1.26 -4.94 116.66 125.11 1fwb n ARG 94 Ca 0.00 -2.19 -0.15 0.00 -0.77 0.00 0.00 57.85 54.74 1fwb n ARG 94 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1fwb n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwb n GLY 95 N 1.47 -0.21 0.09 -0.13 0.00 0.45 -4.94 105.19 101.91 1fwb n GLY 95 Ca 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1fwb n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fwb h GLU 96 N -0.25 0.00 0.00 1.61 5.08 -1.93 -3.42 114.58 115.67 1fwb h GLU 96 Ca -0.35 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1fwb h GLU 96 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1fwb h GLU 96 CO 0.41 0.62 -0.78 1.55 -1.00 0.00 0.00 179.01 179.80 1fwb n VAL 97 N -3.16 1.27 -3.92 3.13 3.14 -1.26 -5.03 118.33 112.49 1fwb n VAL 97 Ca -0.05 0.17 -0.26 0.00 -2.96 0.00 0.00 64.34 61.24 1fwb n VAL 97 Cb 0.89 -1.94 -0.00 0.00 -1.06 0.00 0.00 33.84 31.73 1fwb n VAL 97 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1fwb n MET 98 N -3.94 -3.99 -3.38 1.45 2.81 -0.52 -4.88 117.12 104.67 1fwb n MET 98 Ca -0.12 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1fwb n MET 98 Cb 0.36 -4.89 0.00 0.00 -0.71 0.00 0.00 33.22 27.97 1fwb n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fwb n GLY 99 N -1.77 -1.44 3.77 3.03 0.00 -0.09 -4.94 105.19 103.74 1fwb n GLY 99 Ca -0.21 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1fwb n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwb s PRO 100 N -1.13 3.90 0.00 1.61 0.04 -1.26 -0.71 135.00 137.45 1fwb s PRO 100 Ca 0.00 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1fwb s PRO 100 Cb 0.00 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1fwb s PRO 100 CO 0.00 -0.52 0.00 -0.11 0.04 0.00 0.00 177.00 176.41