#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffp n ILE 1 N 0.00 0.00 -4.11 3.17 5.41 -1.26 -5.15 119.36 117.42 1ffp n ILE 1 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 1ffp n ILE 1 Cb 0.00 0.58 -0.01 0.00 -0.71 0.00 0.00 39.64 39.49 1ffp n ILE 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ffp n GLN 2 N 0.00 0.90 -3.56 0.38 0.00 -1.23 -1.80 117.38 112.07 1ffp n GLN 2 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 57.00 56.27 1ffp n GLN 2 Cb 0.46 0.39 -0.06 0.00 0.00 0.00 0.00 30.24 31.03 1ffp n GLN 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1ffp s LYS 3 N -2.33 0.25 -0.27 2.61 2.20 0.06 -4.85 119.74 117.41 1ffp s LYS 3 Ca 0.04 0.48 -0.38 0.00 -0.36 0.00 0.00 55.97 55.75 1ffp s LYS 3 Cb 0.00 0.12 -0.14 0.00 -1.51 0.00 0.00 37.83 36.31 1ffp s LYS 3 CO 0.03 -0.06 1.91 2.41 -0.36 0.00 0.00 175.35 179.28 1ffp n THR 4 N 3.85 0.33 -1.94 3.43 -1.04 -1.26 -3.56 114.28 114.08 1ffp n THR 4 Ca -0.16 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.35 1ffp n THR 4 Cb 0.56 -1.47 0.02 0.00 -1.82 0.00 0.00 70.33 67.62 1ffp n THR 4 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ffp s PRO 5 N 4.49 3.50 -0.14 -2.82 0.04 -1.26 -4.60 135.00 134.21 1ffp s PRO 5 Ca 1.01 2.15 -0.02 0.00 0.04 0.00 0.00 61.00 64.17 1ffp s PRO 5 Cb -0.94 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 1ffp s PRO 5 CO 0.58 -0.87 -0.07 -0.65 0.04 0.00 0.00 177.00 176.03 1ffp s GLN 6 N -2.67 3.50 -0.02 4.56 -1.52 0.25 -4.91 119.66 118.85 1ffp s GLN 6 Ca 0.66 -0.57 0.07 0.00 -1.95 0.00 0.00 55.36 53.56 1ffp s GLN 6 Cb -0.38 -2.80 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 1ffp s GLN 6 CO 0.46 0.27 -0.23 0.42 -0.25 0.00 0.00 175.29 175.97 1ffp s ILE 7 N 0.25 2.34 -0.21 1.08 1.01 -1.26 -0.53 121.20 123.88 1ffp s ILE 7 Ca -0.05 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 1ffp s ILE 7 Cb -0.14 -1.85 0.08 0.00 0.01 0.00 0.00 42.46 40.55 1ffp s ILE 7 CO 0.04 0.56 0.11 -1.10 0.00 0.00 0.00 174.94 174.55 1ffp s GLN 8 N -0.72 0.11 -0.07 2.79 -0.21 -0.92 -4.99 119.66 115.65 1ffp s GLN 8 Ca 0.11 -0.19 -0.13 0.00 0.02 0.00 0.00 55.36 55.16 1ffp s GLN 8 Cb -0.10 -1.57 -0.05 0.00 1.00 0.00 0.00 33.01 32.29 1ffp s GLN 8 CO -0.00 -0.78 0.34 0.08 -2.12 0.00 0.00 175.29 172.81 1ffp s VAL 9 N 2.15 5.20 -0.17 1.09 1.01 -1.26 -1.63 120.40 126.79 1ffp s VAL 9 Ca 0.04 0.66 -0.32 0.00 0.00 0.00 0.00 61.98 62.37 1ffp s VAL 9 Cb -0.16 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.72 1ffp s VAL 9 CO -0.18 0.52 1.12 -0.72 0.00 0.00 0.00 175.10 175.84 1ffp s TYR 10 N -0.55 -0.22 0.24 5.22 1.13 -0.57 -4.69 117.35 117.90 1ffp s TYR 10 Ca 0.20 0.26 -0.13 0.00 -1.41 0.00 0.00 57.07 56.00 1ffp s TYR 10 Cb -0.15 0.50 -0.08 0.00 -1.10 0.00 0.00 41.96 41.13 1ffp s TYR 10 CO 0.09 -0.27 0.61 -1.54 -2.51 0.00 0.00 175.55 171.93 1ffp s SER 11 N -1.71 6.74 0.03 -0.18 1.04 -1.26 0.84 113.70 119.19 1ffp s SER 11 Ca 0.05 1.09 -0.25 0.00 0.48 0.00 0.00 55.95 57.32 1ffp s SER 11 Cb -0.01 -2.29 -0.17 0.00 0.10 0.00 0.00 66.02 63.65 1ffp s SER 11 CO -0.04 -0.06 1.44 -0.09 0.98 0.00 0.00 173.24 175.47 1ffp h ARG 12 N 2.75 -0.18 -5.91 4.02 2.43 -1.22 -3.44 114.38 112.84 1ffp h ARG 12 Ca -0.48 0.01 -0.62 0.00 -0.81 0.00 0.00 59.98 58.08 1ffp h ARG 12 Cb 1.18 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1ffp h ARG 12 CO 0.67 0.08 -0.46 -1.01 -1.51 0.00 0.00 179.97 177.75 1ffp s HIS 13 N -5.14 3.53 0.07 2.20 3.76 -1.26 -5.02 115.29 113.42 1ffp s HIS 13 Ca -0.15 0.37 -0.37 0.00 -0.15 0.00 0.00 55.06 54.77 1ffp s HIS 13 Cb 0.03 -1.85 -0.16 0.00 1.11 0.00 0.00 32.58 31.71 1ffp s HIS 13 CO 0.63 0.59 1.38 -0.35 -0.85 0.00 0.00 174.74 176.15 1ffp n PRO 14 N 0.59 1.23 -1.68 8.40 -0.04 -1.26 -4.79 135.00 137.46 1ffp n PRO 14 Ca -0.07 0.45 -0.51 0.00 -0.04 0.00 0.00 63.50 63.32 1ffp n PRO 14 Cb 0.52 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.82 1ffp n PRO 14 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ffp n PRO 15 N 2.77 1.73 -3.82 0.54 -0.04 -1.26 -4.99 135.00 129.94 1ffp n PRO 15 Ca 0.19 0.63 -0.30 0.00 -0.04 0.00 0.00 63.50 63.98 1ffp n PRO 15 Cb 0.20 -2.39 -0.15 0.00 -0.04 0.00 0.00 33.50 31.11 1ffp n PRO 15 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ffp s GLU 16 N 2.93 1.00 -0.20 0.54 2.02 -1.26 -5.09 118.70 118.64 1ffp s GLU 16 Ca 0.91 -1.04 -0.40 0.00 0.02 0.00 0.00 54.97 54.46 1ffp s GLU 16 Cb -0.84 -2.29 -0.19 0.00 0.10 0.00 0.00 34.13 30.91 1ffp s GLU 16 CO 0.53 -0.83 1.21 0.09 0.02 0.00 0.00 175.26 176.28 1ffp n ASN 17 N 4.77 0.49 0.00 -0.19 5.03 -1.26 0.21 115.26 124.30 1ffp n ASN 17 Ca -0.05 1.09 0.00 0.00 0.87 0.00 0.00 54.58 56.49 1ffp n ASN 17 Cb 0.43 -0.84 0.00 0.00 -1.02 0.00 0.00 39.78 38.36 1ffp n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ffp n GLY 18 N 2.41 1.72 3.75 7.41 0.00 -1.03 -4.97 105.19 114.48 1ffp n GLY 18 Ca 0.23 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ffp n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffp s LYS 19 N 0.00 4.18 1.09 1.61 1.02 0.13 -4.89 119.74 122.88 1ffp s LYS 19 Ca 0.00 2.47 -0.18 0.00 0.02 0.00 0.00 55.97 58.28 1ffp s LYS 19 Cb 0.00 -3.05 0.11 0.00 -0.52 0.00 0.00 37.83 34.38 1ffp s LYS 19 CO 0.00 -0.54 0.01 -2.30 -0.92 0.00 0.00 175.35 171.60 1ffp n PRO 20 N 1.99 -1.82 0.00 -1.68 -0.02 -1.26 -4.43 135.00 127.78 1ffp n PRO 20 Ca 0.07 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 1ffp n PRO 20 Cb 0.39 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1ffp n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ffp n ASN 21 N -1.35 0.00 -4.48 2.55 2.85 -1.04 -4.80 115.26 108.99 1ffp n ASN 21 Ca 0.02 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.14 1ffp n ASN 21 Cb 0.55 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.45 1ffp n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1ffp s ILE 22 N -2.00 4.13 -0.09 -1.44 1.01 -1.26 0.35 121.20 121.89 1ffp s ILE 22 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 1ffp s ILE 22 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1ffp s ILE 22 CO 0.00 0.43 0.48 -0.22 0.00 0.00 0.00 174.94 175.63 1ffp s LEU 23 N 0.91 4.31 0.09 2.97 2.96 0.98 -0.59 118.68 130.30 1ffp s LEU 23 Ca 0.02 0.86 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1ffp s LEU 23 Cb -0.14 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 1ffp s LEU 23 CO 0.02 0.05 -0.14 0.20 -1.32 0.00 0.00 176.35 175.16 1ffp s ASN 24 N 0.34 4.10 -0.28 3.68 0.01 0.25 -1.69 114.94 121.35 1ffp s ASN 24 Ca 0.26 -0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 51.95 1ffp s ASN 24 Cb -0.16 -0.70 0.09 0.00 0.41 0.00 0.00 41.25 40.89 1ffp s ASN 24 CO 0.11 0.20 0.08 0.00 -1.51 0.00 0.00 177.10 175.99 1ffp s TYR 26 N 1.75 3.06 -0.14 0.00 5.04 -0.64 -0.69 117.35 125.73 1ffp s TYR 26 Ca 0.07 -0.17 -0.06 0.00 -2.44 0.00 0.00 57.07 54.47 1ffp s TYR 26 Cb -0.17 -3.35 -0.04 0.00 0.35 0.00 0.00 41.96 38.75 1ffp s TYR 26 CO -0.23 -0.89 0.06 0.08 -1.34 0.00 0.00 175.55 173.23 1ffp s VAL 27 N 2.75 4.83 0.21 3.14 1.01 -0.40 -2.16 120.40 129.79 1ffp s VAL 27 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 1ffp s VAL 27 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1ffp s VAL 27 CO 0.17 0.54 0.39 0.28 0.00 0.00 0.00 175.10 176.49 1ffp s THR 28 N -0.36 0.02 -0.41 3.92 -1.32 0.31 -0.96 115.64 116.84 1ffp s THR 28 Ca 0.09 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 1ffp s THR 28 Cb -0.12 -2.04 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1ffp s THR 28 CO 0.02 -0.11 0.00 1.67 -2.21 0.00 0.00 174.62 173.99 1ffp n GLN 29 N -0.31 -0.70 -3.75 7.08 -0.06 -1.05 0.88 117.38 119.46 1ffp n GLN 29 Ca -0.04 0.47 -0.20 0.00 -2.00 0.00 0.00 57.00 55.23 1ffp n GLN 29 Cb 0.63 -4.19 -0.02 0.00 -4.06 0.00 0.00 30.24 22.60 1ffp n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1ffp s PHE 30 N -1.93 3.19 -0.30 3.69 -0.12 -1.10 -4.31 117.98 117.10 1ffp s PHE 30 Ca 0.00 -0.16 -0.23 0.00 -0.05 0.00 0.00 56.93 56.49 1ffp s PHE 30 Cb 0.00 -1.76 0.19 0.00 -0.63 0.00 0.00 43.02 40.81 1ffp s PHE 30 CO 0.00 0.22 1.36 -1.58 -0.05 0.00 0.00 175.22 175.17 1ffp s HIS 31 N -2.13 -0.11 1.09 3.49 2.46 -1.23 0.50 115.29 119.35 1ffp s HIS 31 Ca 0.40 0.26 -0.12 0.00 0.47 0.00 0.00 55.06 56.06 1ffp s HIS 31 Cb -0.09 0.39 0.24 0.00 -0.13 0.00 0.00 32.58 33.00 1ffp s HIS 31 CO 0.29 -0.05 1.06 -2.14 -2.47 0.00 0.00 174.74 171.43 1ffp s PRO 32 N 0.26 -0.34 -0.12 2.88 0.02 -0.74 -0.76 135.00 136.20 1ffp s PRO 32 Ca 0.04 1.08 -0.01 0.00 0.02 0.00 0.00 61.00 62.13 1ffp s PRO 32 Cb -0.04 -1.60 0.06 0.00 0.02 0.00 0.00 34.50 32.93 1ffp s PRO 32 CO -0.14 -3.41 2.12 -0.35 -0.33 0.00 0.00 177.00 174.90 1ffp n PRO 33 N -4.72 1.37 -4.04 5.54 -0.04 -1.26 -4.72 135.00 127.13 1ffp n PRO 33 Ca 0.06 -0.66 -0.34 0.00 -0.04 0.00 0.00 63.50 62.52 1ffp n PRO 33 Cb 0.53 -1.30 -0.15 0.00 -0.04 0.00 0.00 33.50 32.55 1ffp n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ffp s HIS 34 N -0.61 2.87 -0.04 0.54 3.76 -1.26 -5.09 115.29 115.46 1ffp s HIS 34 Ca 0.16 -1.27 -0.18 0.00 -0.15 0.00 0.00 55.06 53.62 1ffp s HIS 34 Cb 0.11 -2.01 0.03 0.00 1.11 0.00 0.00 32.58 31.83 1ffp s HIS 34 CO -0.01 -0.66 0.39 -1.50 -0.85 0.00 0.00 174.74 172.11 1ffp s ILE 35 N 1.35 0.04 -0.18 0.60 2.07 -1.26 -4.60 121.20 119.23 1ffp s ILE 35 Ca 0.05 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 58.96 1ffp s ILE 35 Cb -0.14 -0.68 0.02 0.00 0.13 0.00 0.00 42.46 41.79 1ffp s ILE 35 CO -0.08 -0.18 -0.20 -0.70 -1.91 0.00 0.00 174.94 171.87 1ffp s GLU 36 N -1.14 3.00 -0.07 3.50 2.12 -0.93 -5.01 118.70 120.17 1ffp s GLU 36 Ca -0.12 -0.83 0.04 0.00 0.36 0.00 0.00 54.97 54.43 1ffp s GLU 36 Cb -0.04 -2.57 -0.00 0.00 0.26 0.00 0.00 34.13 31.78 1ffp s GLU 36 CO 0.05 -0.20 -0.20 0.42 -0.54 0.00 0.00 175.26 174.79 1ffp s ILE 37 N 1.26 1.72 0.07 -3.70 1.01 -1.26 -1.32 121.20 118.99 1ffp s ILE 37 Ca 0.04 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1ffp s ILE 37 Cb -0.13 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 1ffp s ILE 37 CO -0.12 0.49 -0.14 -1.10 0.00 0.00 0.00 174.94 174.07 1ffp s GLN 38 N 0.21 0.81 -0.22 2.79 -0.21 0.24 -4.98 119.66 118.31 1ffp s GLN 38 Ca -0.11 -0.97 -0.00 0.00 0.02 0.00 0.00 55.36 54.30 1ffp s GLN 38 Cb -0.15 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 33.10 1ffp s GLN 38 CO 0.05 0.17 -0.12 -1.64 -2.12 0.00 0.00 175.29 171.63 1ffp s MET 39 N -1.83 2.88 0.10 2.91 -1.94 -1.26 0.08 119.30 120.23 1ffp s MET 39 Ca -0.02 -0.93 -0.07 0.00 -1.71 0.00 0.00 55.69 52.97 1ffp s MET 39 Cb -0.09 -2.82 -0.05 0.00 2.01 0.00 0.00 34.83 33.87 1ffp s MET 39 CO 0.02 -0.33 0.37 -0.51 -0.01 0.00 0.00 175.02 174.56 1ffp s LEU 40 N 1.30 4.31 -0.41 -0.03 1.43 -0.32 0.10 118.68 125.07 1ffp s LEU 40 Ca 0.01 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1ffp s LEU 40 Cb -0.15 -3.08 0.12 0.00 0.03 0.00 0.00 46.19 43.11 1ffp s LEU 40 CO -0.08 0.13 0.18 -0.75 0.23 0.00 0.00 176.35 176.06 1ffp s LYS 41 N -2.22 1.30 -0.59 1.70 2.20 0.22 -1.09 119.74 121.26 1ffp s LYS 41 Ca 0.36 -1.87 -0.01 0.00 -0.36 0.00 0.00 55.97 54.09 1ffp s LYS 41 Cb -0.13 -2.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 1ffp s LYS 41 CO 0.21 -1.07 0.50 0.09 -0.36 0.00 0.00 175.35 174.71 1ffp n ASN 42 N 3.90 -2.75 0.00 1.43 3.02 0.14 -2.69 115.26 118.31 1ffp n ASN 42 Ca 0.05 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1ffp n ASN 42 Cb 0.37 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.66 1ffp n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ffp n GLY 43 N -1.16 0.95 3.58 7.41 0.00 -1.26 -4.91 105.19 109.81 1ffp n GLY 43 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1ffp n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ffp s LYS 44 N 0.00 3.77 0.21 1.61 2.20 -1.09 -4.96 119.74 121.47 1ffp s LYS 44 Ca 0.00 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 1ffp s LYS 44 Cb 0.00 -3.78 -0.16 0.00 -1.51 0.00 0.00 37.83 32.38 1ffp s LYS 44 CO 0.00 -0.72 0.92 1.17 -0.36 0.00 0.00 175.35 176.36 1ffp n LYS 45 N 6.11 0.81 -3.56 4.03 4.81 -1.26 -0.61 118.16 128.49 1ffp n LYS 45 Ca 0.00 0.29 -0.37 0.00 -0.87 0.00 0.00 58.31 57.36 1ffp n LYS 45 Cb 0.48 -1.60 -0.08 0.00 0.02 0.00 0.00 35.03 33.85 1ffp n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ffp s ILE 46 N -0.71 5.30 0.00 3.15 1.01 0.11 -4.78 121.20 125.29 1ffp s ILE 46 Ca 0.67 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1ffp s ILE 46 Cb -0.85 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1ffp s ILE 46 CO 0.56 0.33 0.00 -0.81 0.00 0.00 0.00 174.94 175.02 1ffp n PRO 47 N 4.20 -0.07 -2.61 2.79 -0.04 -1.26 -4.38 135.00 133.62 1ffp n PRO 47 Ca -0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1ffp n PRO 47 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1ffp n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ffp n LYS 48 N -0.78 -0.10 -3.60 0.54 5.02 -1.26 -4.87 118.16 113.11 1ffp n LYS 48 Ca 0.00 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 1ffp n LYS 48 Cb 0.00 0.04 -0.10 0.00 -0.02 0.00 0.00 35.03 34.95 1ffp n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ffp s VAL 49 N -2.25 4.33 0.26 -0.18 1.01 -1.26 -4.80 120.40 117.51 1ffp s VAL 49 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 1ffp s VAL 49 Cb -0.00 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 1ffp s VAL 49 CO 0.01 -0.43 1.48 -1.61 0.00 0.00 0.00 175.10 174.55 1ffp s GLU 50 N 1.46 4.23 -0.14 2.72 2.02 0.12 -4.76 118.70 124.36 1ffp s GLU 50 Ca 0.02 2.37 -0.03 0.00 0.02 0.00 0.00 54.97 57.35 1ffp s GLU 50 Cb -0.22 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 1ffp s GLU 50 CO 0.03 -0.48 -0.02 -1.64 0.02 0.00 0.00 175.26 173.17 1ffp s MET 51 N -0.37 3.49 0.66 1.61 -1.94 -1.26 0.99 119.30 122.48 1ffp s MET 51 Ca 0.61 -0.48 -0.10 0.00 -1.71 0.00 0.00 55.69 54.01 1ffp s MET 51 Cb -0.43 -2.89 0.15 0.00 2.01 0.00 0.00 34.83 33.66 1ffp s MET 51 CO 0.44 0.38 0.90 -1.13 -0.01 0.00 0.00 175.02 175.60 1ffp n SER 52 N 3.13 0.21 -4.81 3.03 3.41 0.10 -4.99 113.62 113.71 1ffp n SER 52 Ca -0.18 -1.41 -0.36 0.00 -0.26 0.00 0.00 58.87 56.66 1ffp n SER 52 Cb 0.53 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.74 1ffp n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ffp s ASP 53 N -4.35 7.10 0.51 4.04 1.01 -1.26 -4.71 116.67 119.02 1ffp s ASP 53 Ca 0.52 1.49 -0.13 0.00 0.71 0.00 0.00 52.55 55.15 1ffp s ASP 53 Cb -0.02 -2.45 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 1ffp s ASP 53 CO 0.36 0.00 0.93 -0.32 0.21 0.00 0.00 175.17 176.36 1ffp s MET 54 N -2.03 3.79 0.21 8.23 -2.45 -1.26 -4.59 119.30 121.20 1ffp s MET 54 Ca 0.45 0.74 -0.18 0.00 -1.25 0.00 0.00 55.69 55.44 1ffp s MET 54 Cb -0.17 -2.20 0.03 0.00 1.25 0.00 0.00 34.83 33.74 1ffp s MET 54 CO 0.21 -0.29 0.56 -1.12 1.05 0.00 0.00 175.02 175.44 1ffp s SER 55 N -3.45 -0.28 0.03 1.11 0.01 -0.82 -4.99 113.70 105.30 1ffp s SER 55 Ca 0.55 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1ffp s SER 55 Cb -0.10 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.72 1ffp s SER 55 CO 0.38 -1.11 -0.07 0.72 0.41 0.00 0.00 173.24 173.57 1ffp s PHE 56 N -3.88 0.64 0.78 2.43 -0.12 -1.26 0.16 117.98 116.72 1ffp s PHE 56 Ca 0.10 -0.37 -0.11 0.00 -0.05 0.00 0.00 56.93 56.50 1ffp s PHE 56 Cb -0.02 -0.39 0.07 0.00 -0.63 0.00 0.00 43.02 42.05 1ffp s PHE 56 CO -0.01 -0.05 1.15 -1.12 -0.05 0.00 0.00 175.22 175.14 1ffp s SER 57 N -1.11 4.68 0.00 1.98 0.01 0.34 -4.89 113.70 114.71 1ffp s SER 57 Ca -0.06 0.80 0.07 0.00 1.31 0.00 0.00 55.95 58.08 1ffp s SER 57 Cb -0.07 -1.36 0.39 0.00 0.21 0.00 0.00 66.02 65.18 1ffp s SER 57 CO 0.00 -1.79 1.07 2.29 0.41 0.00 0.00 173.24 175.22 1ffp n LYS 58 N -3.23 0.13 -0.42 12.44 2.85 -1.26 0.81 118.16 129.47 1ffp n LYS 58 Ca 0.08 0.18 0.10 0.00 -1.05 0.00 0.00 58.31 57.62 1ffp n LYS 58 Cb 0.60 -1.50 0.31 0.00 -0.65 0.00 0.00 35.03 33.80 1ffp n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ffp n ASP 59 N -1.24 3.91 0.00 -5.58 5.75 -1.26 -4.94 116.55 113.19 1ffp n ASP 59 Ca 0.04 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 1ffp n ASP 59 Cb 0.05 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1ffp n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ffp n TRP 60 N 1.37 0.00 -0.91 2.11 5.03 0.24 -5.01 117.44 120.27 1ffp n TRP 60 Ca 0.23 0.00 -0.31 0.00 3.03 0.00 0.00 57.50 60.45 1ffp n TRP 60 Cb 0.66 -0.07 0.14 0.00 -1.03 0.00 0.00 31.31 31.00 1ffp n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1ffp s SER 61 N -0.87 3.50 0.23 -0.99 1.04 -1.26 -4.54 113.70 110.82 1ffp s SER 61 Ca 0.00 2.07 0.07 0.00 0.48 0.00 0.00 55.95 58.57 1ffp s SER 61 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1ffp s SER 61 CO 0.00 -2.71 0.11 -0.36 0.98 0.00 0.00 173.24 171.26 1ffp s PHE 62 N -2.72 2.98 0.08 5.02 0.40 0.18 -0.50 117.98 123.41 1ffp s PHE 62 Ca 0.65 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.86 1ffp s PHE 62 Cb -0.21 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1ffp s PHE 62 CO 0.57 0.54 -0.05 1.52 0.70 0.00 0.00 175.22 178.50 1ffp s TYR 63 N -2.06 0.72 0.05 0.36 1.13 0.12 -2.54 117.35 115.13 1ffp s TYR 63 Ca 0.31 -0.94 -0.27 0.00 -1.41 0.00 0.00 57.07 54.77 1ffp s TYR 63 Cb -0.08 -0.45 0.08 0.00 -1.10 0.00 0.00 41.96 40.41 1ffp s TYR 63 CO 0.23 -0.23 0.70 -1.50 -2.51 0.00 0.00 175.55 172.24 1ffp s ILE 64 N -3.54 0.00 -0.25 -3.49 2.07 -0.14 -1.95 121.20 113.90 1ffp s ILE 64 Ca 0.08 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.34 1ffp s ILE 64 Cb 0.05 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.69 1ffp s ILE 64 CO -0.06 0.00 -0.12 -0.22 -1.91 0.00 0.00 174.94 172.63 1ffp s LEU 65 N -2.14 3.30 0.07 8.50 2.96 -1.26 -1.27 118.68 128.84 1ffp s LEU 65 Ca -0.02 -1.29 -0.15 0.00 -0.22 0.00 0.00 54.13 52.46 1ffp s LEU 65 Cb -0.01 -1.55 -0.06 0.00 0.50 0.00 0.00 46.19 45.07 1ffp s LEU 65 CO -0.05 -0.17 0.49 0.00 -1.32 0.00 0.00 176.35 175.30 1ffp s ALA 66 N 1.14 3.64 -0.05 5.97 0.00 0.13 0.03 121.76 132.62 1ffp s ALA 66 Ca -0.07 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1ffp s ALA 66 Cb -0.19 -2.47 0.09 0.00 0.00 0.00 0.00 23.12 20.55 1ffp s ALA 66 CO -0.06 0.47 0.77 -3.38 0.00 0.00 0.00 175.76 173.56 1ffp s HIS 67 N -1.24 -0.54 0.13 0.00 -3.43 0.28 -0.09 115.29 110.39 1ffp s HIS 67 Ca 0.30 0.82 -0.20 0.00 -0.80 0.00 0.00 55.06 55.18 1ffp s HIS 67 Cb -0.17 0.45 0.05 0.00 -1.43 0.00 0.00 32.58 31.49 1ffp s HIS 67 CO 0.17 -0.57 0.51 -0.08 -2.00 0.00 0.00 174.74 172.77 1ffp s THR 68 N -1.66 0.03 0.27 -5.38 -1.32 -0.68 0.15 115.64 107.06 1ffp s THR 68 Ca -0.06 -0.27 -0.29 0.00 -1.21 0.00 0.00 61.69 59.86 1ffp s THR 68 Cb -0.00 -1.07 -0.09 0.00 -1.51 0.00 0.00 72.50 69.83 1ffp s THR 68 CO 0.03 -0.15 1.00 -1.61 -2.21 0.00 0.00 174.62 171.68 1ffp s GLU 69 N -3.57 4.71 0.00 7.08 8.01 -1.26 -0.02 118.70 133.65 1ffp s GLU 69 Ca 0.01 1.58 0.00 0.00 0.01 0.00 0.00 54.97 56.57 1ffp s GLU 69 Cb 0.00 -3.15 0.00 0.00 -4.31 0.00 0.00 34.13 26.67 1ffp s GLU 69 CO -0.11 0.35 0.00 1.97 0.01 0.00 0.00 175.26 177.48 1ffp n PHE 70 N 1.19 0.00 -3.41 1.61 -1.74 0.16 -4.84 117.46 110.43 1ffp n PHE 70 Ca -0.01 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.90 1ffp n PHE 70 Cb 0.47 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.43 1ffp n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ffp s THR 71 N -1.68 -0.60 0.96 1.97 2.01 -1.26 -2.50 115.64 114.53 1ffp s THR 71 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1ffp s THR 71 Cb 0.00 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.67 1ffp s THR 71 CO 0.00 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.86 1ffp s PRO 72 N 2.60 0.76 -0.30 4.92 0.04 -1.26 -4.86 135.00 136.90 1ffp s PRO 72 Ca -0.02 0.77 -0.17 0.00 0.04 0.00 0.00 61.00 61.63 1ffp s PRO 72 Cb -0.08 -1.76 0.18 0.00 0.04 0.00 0.00 34.50 32.89 1ffp s PRO 72 CO -0.17 -2.57 1.19 0.95 0.04 0.00 0.00 177.00 176.44 1ffp s THR 73 N -2.88 -0.02 0.00 1.26 -4.23 -1.26 -2.46 115.64 106.05 1ffp s THR 73 Ca 0.65 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1ffp s THR 73 Cb -0.19 -0.02 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1ffp s THR 73 CO 0.58 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 174.04 1ffp n GLU 74 N 5.01 0.00 -0.00 3.99 1.02 -1.26 0.15 120.64 129.54 1ffp n GLU 74 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1ffp n GLU 74 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.02 1ffp n GLU 74 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ffp n THR 75 N 0.00 0.36 -2.75 2.62 -2.24 -1.26 -4.93 114.28 106.07 1ffp n THR 75 Ca 0.00 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.68 1ffp n THR 75 Cb 0.00 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1ffp n THR 75 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ffp s ASP 76 N -0.40 6.33 0.09 3.42 -1.08 0.39 -5.00 116.67 120.43 1ffp s ASP 76 Ca 0.01 -1.19 -0.30 0.00 -0.52 0.00 0.00 52.55 50.55 1ffp s ASP 76 Cb 0.01 -2.47 -0.06 0.00 -1.46 0.00 0.00 42.92 38.94 1ffp s ASP 76 CO 0.01 -1.46 1.09 0.28 0.52 0.00 0.00 175.17 175.61 1ffp s THR 77 N 4.30 4.23 0.31 1.71 -1.32 -1.26 -4.51 115.64 119.10 1ffp s THR 77 Ca 0.32 1.72 0.10 0.00 -1.21 0.00 0.00 61.69 62.62 1ffp s THR 77 Cb -0.09 -4.10 -0.05 0.00 -1.51 0.00 0.00 72.50 66.74 1ffp s THR 77 CO 0.03 0.20 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.29 1ffp s TYR 78 N 0.50 2.50 0.19 9.09 1.51 -1.26 0.26 117.35 130.14 1ffp s TYR 78 Ca 0.53 -0.38 -0.24 0.00 -1.01 0.00 0.00 57.07 55.97 1ffp s TYR 78 Cb -0.27 -1.31 0.06 0.00 -0.11 0.00 0.00 41.96 40.33 1ffp s TYR 78 CO 0.31 0.57 0.94 0.00 -1.11 0.00 0.00 175.55 176.25 1ffp s ALA 79 N -2.49 -1.54 -0.05 3.71 0.00 -0.25 -2.75 121.76 118.39 1ffp s ALA 79 Ca 0.33 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1ffp s ALA 79 Cb -0.02 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1ffp s ALA 79 CO 0.18 -1.04 -0.12 0.00 0.00 0.00 0.00 175.76 174.78 1ffp s ARG 81 N 0.41 2.57 -0.03 0.00 3.52 0.11 -1.09 118.95 124.43 1ffp s ARG 81 Ca -0.09 -0.69 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 1ffp s ARG 81 Cb -0.13 -2.10 -0.01 0.00 -1.56 0.00 0.00 34.95 31.15 1ffp s ARG 81 CO 0.02 -0.01 -0.22 0.08 -0.81 0.00 0.00 175.30 174.36 1ffp s VAL 82 N 0.83 1.75 -0.09 7.11 1.01 0.07 -0.59 120.40 130.49 1ffp s VAL 82 Ca -0.09 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1ffp s VAL 82 Cb -0.16 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1ffp s VAL 82 CO -0.00 0.49 -0.14 -0.75 0.00 0.00 0.00 175.10 174.70 1ffp s LYS 83 N -0.37 2.01 -0.03 2.72 2.20 -0.44 -0.27 119.74 125.57 1ffp s LYS 83 Ca 0.05 -0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1ffp s LYS 83 Cb -0.10 -1.71 0.01 0.00 -1.51 0.00 0.00 37.83 34.53 1ffp s LYS 83 CO 0.00 -0.03 0.06 -1.58 -0.36 0.00 0.00 175.35 173.44 1ffp s HIS 84 N 0.90 -0.06 -0.15 4.03 2.46 -1.26 -2.19 115.29 119.00 1ffp s HIS 84 Ca -0.09 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.63 1ffp s HIS 84 Cb -0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.28 1ffp s HIS 84 CO 0.00 -0.05 0.09 -0.25 -2.47 0.00 0.00 174.74 172.06 1ffp n ASP 85 N 3.30 0.26 0.00 9.88 8.00 -1.26 -1.04 116.55 135.69 1ffp n ASP 85 Ca -0.16 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1ffp n ASP 85 Cb 0.58 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1ffp n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ffp n SER 86 N 0.87 2.02 -4.32 -2.24 3.41 -1.26 -4.89 113.62 107.22 1ffp n SER 86 Ca 0.00 -0.20 -0.31 0.00 -0.26 0.00 0.00 58.87 58.10 1ffp n SER 86 Cb 0.04 0.80 -0.16 0.00 -0.26 0.00 0.00 64.21 64.63 1ffp n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ffp s MET 87 N -1.20 2.25 0.14 4.33 0.00 -0.21 -4.79 119.30 119.82 1ffp s MET 87 Ca 0.00 -0.90 0.14 0.00 0.00 0.00 0.00 55.69 54.93 1ffp s MET 87 Cb 0.00 -2.10 0.67 0.00 0.00 0.00 0.00 34.83 33.40 1ffp s MET 87 CO 0.00 0.53 1.44 0.00 0.00 0.00 0.00 175.02 176.99 1ffp n ALA 88 N 2.54 1.33 -3.45 3.16 0.00 -1.26 -4.69 120.51 118.14 1ffp n ALA 88 Ca -0.16 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 1ffp n ALA 88 Cb 0.51 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 1ffp n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ffp s GLU 89 N -3.21 0.97 0.44 0.00 1.03 -1.26 -5.14 118.70 111.53 1ffp s GLU 89 Ca 0.02 0.14 -0.26 0.00 0.03 0.00 0.00 54.97 54.90 1ffp s GLU 89 Cb 0.06 0.45 -0.09 0.00 -0.80 0.00 0.00 34.13 33.75 1ffp s GLU 89 CO 0.20 -0.30 1.45 -1.25 -1.33 0.00 0.00 175.26 174.04 1ffp s PRO 90 N -1.25 3.73 -0.16 -4.83 0.04 -1.26 -4.87 135.00 126.40 1ffp s PRO 90 Ca -0.11 2.47 -0.10 0.00 0.04 0.00 0.00 61.00 63.30 1ffp s PRO 90 Cb -0.01 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 1ffp s PRO 90 CO 0.08 -0.80 0.19 0.21 0.04 0.00 0.00 177.00 176.72 1ffp s LYS 91 N -2.41 3.99 -0.17 4.56 2.20 0.63 -4.90 119.74 123.64 1ffp s LYS 91 Ca 0.60 -0.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.13 1ffp s LYS 91 Cb -0.45 -3.35 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1ffp s LYS 91 CO 0.58 0.43 -0.16 0.99 -0.36 0.00 0.00 175.35 176.84 1ffp s THR 92 N -0.07 1.80 -0.08 3.43 2.01 -1.26 -0.75 115.64 120.73 1ffp s THR 92 Ca 0.13 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1ffp s THR 92 Cb -0.12 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1ffp s THR 92 CO 0.02 0.43 -0.18 0.68 -0.69 0.00 0.00 174.62 174.88 1ffp s VAL 93 N 1.38 2.67 -0.02 3.82 -7.23 -0.25 -4.96 120.40 115.81 1ffp s VAL 93 Ca 0.03 -0.84 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 1ffp s VAL 93 Cb -0.14 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 1ffp s VAL 93 CO -0.11 0.56 0.30 -0.31 -0.31 0.00 0.00 175.10 175.23 1ffp s TYR 94 N -0.17 3.64 0.56 2.82 1.51 -1.26 -0.76 117.35 123.68 1ffp s TYR 94 Ca -0.02 0.74 -0.20 0.00 -1.01 0.00 0.00 57.07 56.58 1ffp s TYR 94 Cb -0.14 -2.10 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 1ffp s TYR 94 CO 0.03 0.65 1.23 -0.46 -1.11 0.00 0.00 175.55 175.89 1ffp s TRP 95 N -1.16 2.47 -0.36 2.71 -0.00 -1.11 -4.94 118.94 116.55 1ffp s TRP 95 Ca 0.24 1.49 0.01 0.00 -0.00 0.00 0.00 56.10 57.83 1ffp s TRP 95 Cb -0.14 -3.53 0.15 0.00 -0.00 0.00 0.00 33.47 29.94 1ffp s TRP 95 CO 0.12 -2.22 0.25 0.34 -0.00 0.00 0.00 176.95 175.44 1ffp s ASP 96 N -1.41 2.52 0.26 5.86 -1.08 -1.26 -4.89 116.67 116.67 1ffp s ASP 96 Ca 0.73 -2.18 0.23 0.00 -0.52 0.00 0.00 52.55 50.82 1ffp s ASP 96 Cb -0.32 -0.24 0.80 0.00 -1.46 0.00 0.00 42.92 41.70 1ffp s ASP 96 CO 0.36 -0.29 0.73 -2.11 0.52 0.00 0.00 175.17 174.39 1ffp n ARG 97 N 3.95 -0.00 -0.30 4.34 1.85 -1.26 0.19 116.66 125.44 1ffp n ARG 97 Ca 0.14 0.51 0.03 0.00 -1.00 0.00 0.00 57.85 57.53 1ffp n ARG 97 Cb 0.39 -1.17 0.15 0.00 -1.05 0.00 0.00 32.46 30.78 1ffp n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ffp n ASP 98 N -2.95 2.53 0.00 2.89 8.00 -1.26 -4.82 116.55 120.94 1ffp n ASP 98 Ca 0.21 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1ffp n ASP 98 Cb 0.93 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1ffp n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04