#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fo4 s GLN 2 N 0.00 1.68 -0.19 0.38 2.00 -1.26 -4.12 119.66 118.15 2fo4 s GLN 2 Ca 0.00 -2.58 -0.09 0.00 -2.00 0.00 0.00 55.36 50.69 2fo4 s GLN 2 Cb 0.00 -2.57 -0.05 0.00 0.80 0.00 0.00 33.01 31.19 2fo4 s GLN 2 CO 0.00 -1.26 0.10 0.15 -0.50 0.00 0.00 175.29 173.78 2fo4 s LYS 3 N -0.45 4.07 0.13 1.67 1.02 -0.54 -4.94 119.74 120.70 2fo4 s LYS 3 Ca 0.24 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 2fo4 s LYS 3 Cb -0.10 -3.33 -0.06 0.00 -0.52 0.00 0.00 37.83 33.83 2fo4 s LYS 3 CO -0.11 0.31 0.97 0.99 -0.92 0.00 0.00 175.35 176.59 2fo4 s THR 4 N 0.30 4.41 0.58 2.17 2.01 -1.26 -1.64 115.64 122.21 2fo4 s THR 4 Ca 0.06 2.03 -0.18 0.00 0.31 0.00 0.00 61.69 63.91 2fo4 s THR 4 Cb -0.12 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2fo4 s THR 4 CO -0.01 0.33 1.14 -2.16 -0.69 0.00 0.00 174.62 173.23 2fo4 s PRO 5 N -0.12 3.16 -0.22 4.92 0.04 -1.26 -4.53 135.00 136.99 2fo4 s PRO 5 Ca 0.47 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 2fo4 s PRO 5 Cb -0.24 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2fo4 s PRO 5 CO 0.30 -1.00 -0.01 -0.65 0.04 0.00 0.00 177.00 175.68 2fo4 s GLN 6 N -3.47 3.48 -0.26 4.56 -1.52 0.07 -4.93 119.66 117.59 2fo4 s GLN 6 Ca 0.72 -0.57 -0.10 0.00 -1.95 0.00 0.00 55.36 53.46 2fo4 s GLN 6 Cb -0.24 -3.08 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 2fo4 s GLN 6 CO 0.31 -0.15 0.15 0.42 -0.25 0.00 0.00 175.29 175.77 2fo4 s ILE 7 N 1.41 5.03 -0.13 1.08 1.09 -1.26 -1.64 121.20 126.77 2fo4 s ILE 7 Ca 0.05 0.07 0.03 0.00 -1.10 0.00 0.00 60.65 59.70 2fo4 s ILE 7 Cb -0.14 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 37.88 2fo4 s ILE 7 CO -0.01 0.29 -0.21 -1.10 -0.10 0.00 0.00 174.94 173.81 2fo4 s GLN 8 N 1.58 3.08 -0.16 2.79 -0.21 -0.66 -4.98 119.66 121.09 2fo4 s GLN 8 Ca 0.07 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2fo4 s GLN 8 Cb -0.15 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2fo4 s GLN 8 CO 0.08 0.08 -0.16 0.08 -2.12 0.00 0.00 175.29 173.25 2fo4 s VAL 9 N 0.61 2.55 0.17 1.09 1.01 -1.26 -0.75 120.40 123.82 2fo4 s VAL 9 Ca -0.12 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2fo4 s VAL 9 Cb -0.16 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.16 2fo4 s VAL 9 CO 0.03 0.51 0.46 -0.72 0.00 0.00 0.00 175.10 175.39 2fo4 s TYR 10 N 0.97 -0.08 0.25 5.22 1.13 -0.54 -4.64 117.35 119.67 2fo4 s TYR 10 Ca -0.02 -0.26 0.08 0.00 -1.41 0.00 0.00 57.07 55.45 2fo4 s TYR 10 Cb -0.15 0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 2fo4 s TYR 10 CO -0.03 -0.84 0.15 -1.54 -2.51 0.00 0.00 175.55 170.78 2fo4 s SER 11 N -2.87 5.31 -0.02 -0.18 1.04 -1.26 0.12 113.70 115.84 2fo4 s SER 11 Ca 0.09 -0.34 -0.25 0.00 0.48 0.00 0.00 55.95 55.94 2fo4 s SER 11 Cb 0.00 -1.28 -0.20 0.00 0.10 0.00 0.00 66.02 64.64 2fo4 s SER 11 CO -0.05 -0.03 1.19 -0.09 0.98 0.00 0.00 173.24 175.24 2fo4 h ARG 12 N 1.58 0.13 -6.20 4.02 9.65 -1.65 -3.46 114.38 118.44 2fo4 h ARG 12 Ca -0.48 -0.09 -0.53 0.00 -1.10 0.00 0.00 59.98 57.78 2fo4 h ARG 12 Cb 1.24 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.76 2fo4 h ARG 12 CO 0.61 0.69 -0.59 -1.01 2.80 0.00 0.00 179.97 182.47 2fo4 s HIS 13 N -3.82 2.87 0.21 2.20 3.76 -1.26 -5.03 115.29 114.21 2fo4 s HIS 13 Ca -0.16 -0.18 -0.31 0.00 -0.15 0.00 0.00 55.06 54.27 2fo4 s HIS 13 Cb 0.02 -1.28 -0.11 0.00 1.11 0.00 0.00 32.58 32.32 2fo4 s HIS 13 CO 0.71 0.58 1.57 -2.14 -0.85 0.00 0.00 174.74 174.60 2fo4 s PRO 14 N -3.75 4.20 0.25 8.40 0.02 -1.26 -4.89 135.00 137.97 2fo4 s PRO 14 Ca 0.32 2.42 -0.31 0.00 0.02 0.00 0.00 61.00 63.45 2fo4 s PRO 14 Cb -0.07 -3.11 -0.12 0.00 0.02 0.00 0.00 34.50 31.22 2fo4 s PRO 14 CO 0.22 -0.59 1.60 -0.35 -0.33 0.00 0.00 177.00 177.55 2fo4 n PRO 15 N 3.33 2.56 -3.61 5.54 -0.04 -1.26 -5.00 135.00 136.52 2fo4 n PRO 15 Ca 0.12 0.92 -0.26 0.00 -0.04 0.00 0.00 63.50 64.23 2fo4 n PRO 15 Cb 0.38 -2.69 -0.17 0.00 -0.04 0.00 0.00 33.50 30.98 2fo4 n PRO 15 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2fo4 s GLU 16 N 0.09 0.12 -0.19 0.54 2.02 -1.26 -5.11 118.70 114.91 2fo4 s GLU 16 Ca 0.69 -0.16 -0.41 0.00 0.02 0.00 0.00 54.97 55.11 2fo4 s GLU 16 Cb -0.54 -1.77 -0.18 0.00 0.10 0.00 0.00 34.13 31.74 2fo4 s GLU 16 CO 0.43 -0.71 1.49 0.09 0.02 0.00 0.00 175.26 176.59 2fo4 n ASN 17 N 5.26 1.51 0.00 -0.19 3.02 -1.26 -1.64 115.26 121.96 2fo4 n ASN 17 Ca -0.07 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 2fo4 n ASN 17 Cb 0.48 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2fo4 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fo4 n GLY 18 N 3.27 2.94 3.76 7.41 0.00 -0.39 -5.00 105.19 117.19 2fo4 n GLY 18 Ca 0.24 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2fo4 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fo4 s LYS 19 N 0.00 4.11 0.47 1.61 -2.85 -0.65 -4.93 119.74 117.50 2fo4 s LYS 19 Ca 0.00 0.11 -0.20 0.00 -1.00 0.00 0.00 55.97 54.87 2fo4 s LYS 19 Cb 0.00 -3.37 -0.12 0.00 -2.06 0.00 0.00 37.83 32.28 2fo4 s LYS 19 CO 0.00 0.37 0.36 -2.30 0.10 0.00 0.00 175.35 173.88 2fo4 n PRO 20 N 3.14 0.37 -0.79 1.78 -0.02 -1.26 -4.47 135.00 133.75 2fo4 n PRO 20 Ca -0.13 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2fo4 n PRO 20 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 2fo4 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2fo4 n ASN 21 N 1.44 0.00 -3.89 2.55 2.85 0.11 -4.97 115.26 113.36 2fo4 n ASN 21 Ca 0.11 -0.66 -0.17 0.00 -0.11 0.00 0.00 54.58 53.74 2fo4 n ASN 21 Cb 0.43 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.30 2fo4 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2fo4 s ILE 22 N -2.75 0.32 -0.19 -1.44 1.01 -1.26 -1.84 121.20 115.05 2fo4 s ILE 22 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 2fo4 s ILE 22 Cb 0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2fo4 s ILE 22 CO 0.00 0.14 0.05 -0.22 0.00 0.00 0.00 174.94 174.92 2fo4 s LEU 23 N 0.54 3.65 0.01 2.97 2.96 -0.16 -1.48 118.68 127.19 2fo4 s LEU 23 Ca -0.06 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2fo4 s LEU 23 Cb -0.09 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2fo4 s LEU 23 CO -0.01 0.12 -0.08 0.20 -1.32 0.00 0.00 176.35 175.27 2fo4 s ASN 24 N 0.66 4.51 -0.23 3.68 0.01 0.33 -2.19 114.94 121.71 2fo4 s ASN 24 Ca 0.03 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2fo4 s ASN 24 Cb -0.13 -1.01 0.07 0.00 0.41 0.00 0.00 41.25 40.58 2fo4 s ASN 24 CO 0.02 0.28 0.02 0.00 -1.51 0.00 0.00 177.10 175.91 2fo4 s TYR 26 N 1.66 3.21 -0.30 0.00 5.04 0.07 -0.36 117.35 126.67 2fo4 s TYR 26 Ca 0.00 -0.78 -0.10 0.00 -2.44 0.00 0.00 57.07 53.74 2fo4 s TYR 26 Cb -0.18 -2.40 -0.02 0.00 0.35 0.00 0.00 41.96 39.71 2fo4 s TYR 26 CO -0.11 -0.56 0.17 0.08 -1.34 0.00 0.00 175.55 173.79 2fo4 s VAL 27 N 1.58 4.90 0.27 3.14 1.01 -0.66 -1.66 120.40 128.98 2fo4 s VAL 27 Ca 0.03 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2fo4 s VAL 27 Cb -0.18 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 2fo4 s VAL 27 CO 0.06 0.14 0.01 0.42 0.00 0.00 0.00 175.10 175.74 2fo4 s THR 28 N 1.68 1.18 -1.37 3.92 -4.23 -0.65 -1.48 115.64 114.69 2fo4 s THR 28 Ca 0.06 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 2fo4 s THR 28 Cb -0.17 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.19 2fo4 s THR 28 CO 0.08 -0.21 0.90 0.00 -0.54 0.00 0.00 174.62 174.86 2fo4 n GLN 29 N -0.53 -5.82 -4.38 3.99 6.02 0.04 -0.75 117.38 115.94 2fo4 n GLN 29 Ca -0.04 0.68 -0.24 0.00 -0.01 0.00 0.00 57.00 57.39 2fo4 n GLN 29 Cb 0.65 -5.48 -0.11 0.00 1.02 0.00 0.00 30.24 26.31 2fo4 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2fo4 s PHE 30 N -3.46 2.05 -0.28 1.08 -0.71 -1.12 -4.16 117.98 111.38 2fo4 s PHE 30 Ca 0.29 -0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 55.53 2fo4 s PHE 30 Cb -0.14 -0.99 0.10 0.00 -1.21 0.00 0.00 43.02 40.77 2fo4 s PHE 30 CO 0.79 0.44 0.89 -1.58 -1.34 0.00 0.00 175.22 174.42 2fo4 s HIS 31 N -2.02 -0.64 1.05 3.49 2.46 -0.65 -0.28 115.29 118.70 2fo4 s HIS 31 Ca 0.20 1.52 -0.12 0.00 0.47 0.00 0.00 55.06 57.12 2fo4 s HIS 31 Cb -0.06 0.34 0.22 0.00 -0.13 0.00 0.00 32.58 32.94 2fo4 s HIS 31 CO 0.09 -0.31 1.07 -1.25 -2.47 0.00 0.00 174.74 171.87 2fo4 s PRO 32 N 0.42 0.03 0.54 2.88 0.04 -1.26 -1.46 135.00 136.19 2fo4 s PRO 32 Ca 0.01 0.65 0.21 0.00 0.04 0.00 0.00 61.00 61.91 2fo4 s PRO 32 Cb -0.05 -1.68 1.46 0.00 0.04 0.00 0.00 34.50 34.27 2fo4 s PRO 32 CO -0.05 -3.04 2.18 -1.00 0.04 0.00 0.00 177.00 175.13 2fo4 h PRO 33 N -2.12 0.00 -6.35 0.56 0.13 -1.98 -3.44 132.00 118.81 2fo4 h PRO 33 Ca -0.56 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.03 2fo4 h PRO 33 Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.47 2fo4 h PRO 33 CO 0.55 0.02 1.13 -1.58 -0.23 0.00 0.00 178.00 177.89 2fo4 s HIS 34 N -4.85 1.79 0.09 1.56 2.46 -1.26 -4.95 115.29 110.13 2fo4 s HIS 34 Ca -0.05 -0.06 -0.12 0.00 0.47 0.00 0.00 55.06 55.30 2fo4 s HIS 34 Cb 0.16 -4.07 0.02 0.00 -0.13 0.00 0.00 32.58 28.56 2fo4 s HIS 34 CO 0.62 -4.60 0.29 -1.50 -2.47 0.00 0.00 174.74 167.08 2fo4 s ILE 35 N 3.89 0.10 -0.12 0.89 2.07 -1.26 -4.57 121.20 122.20 2fo4 s ILE 35 Ca 0.80 -0.86 -0.00 0.00 -1.41 0.00 0.00 60.65 59.17 2fo4 s ILE 35 Cb -0.39 -1.20 0.03 0.00 0.13 0.00 0.00 42.46 41.02 2fo4 s ILE 35 CO 0.35 -0.48 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.13 2fo4 s GLU 36 N -3.61 1.51 -0.07 3.50 2.12 -0.38 -4.97 118.70 116.80 2fo4 s GLU 36 Ca 0.02 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.14 2fo4 s GLU 36 Cb 0.03 -1.60 -0.00 0.00 0.26 0.00 0.00 34.13 32.82 2fo4 s GLU 36 CO -0.10 -0.27 -0.21 0.42 -0.54 0.00 0.00 175.26 174.55 2fo4 s ILE 37 N 1.71 1.82 -0.02 -3.70 1.01 -1.26 -0.22 121.20 120.53 2fo4 s ILE 37 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2fo4 s ILE 37 Cb -0.13 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.80 2fo4 s ILE 37 CO -0.08 0.51 0.00 -1.58 0.00 0.00 0.00 174.94 173.79 2fo4 s GLN 38 N 0.17 0.20 -0.17 2.79 0.74 -0.50 -5.01 119.66 117.88 2fo4 s GLN 38 Ca -0.11 0.08 -0.07 0.00 0.05 0.00 0.00 55.36 55.31 2fo4 s GLN 38 Cb -0.15 -0.38 -0.04 0.00 1.10 0.00 0.00 33.01 33.54 2fo4 s GLN 38 CO 0.05 -0.11 0.07 -1.64 -0.55 0.00 0.00 175.29 173.11 2fo4 s MET 39 N 0.86 3.90 0.08 1.67 -1.94 -1.26 -0.73 119.30 121.87 2fo4 s MET 39 Ca -0.08 -0.32 0.09 0.00 -1.71 0.00 0.00 55.69 53.66 2fo4 s MET 39 Cb -0.12 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.49 2fo4 s MET 39 CO -0.02 0.34 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.61 2fo4 s LEU 40 N 0.19 2.52 -0.17 -0.03 1.43 0.16 -0.10 118.68 122.68 2fo4 s LEU 40 Ca 0.05 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2fo4 s LEU 40 Cb -0.12 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.69 2fo4 s LEU 40 CO 0.00 0.22 -0.10 -0.75 0.23 0.00 0.00 176.35 175.96 2fo4 s LYS 41 N -1.69 1.89 -1.41 1.70 2.20 0.13 -1.47 119.74 121.09 2fo4 s LYS 41 Ca 0.15 -0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2fo4 s LYS 41 Cb -0.10 -2.18 0.04 0.00 -1.51 0.00 0.00 37.83 34.08 2fo4 s LYS 41 CO 0.06 -0.38 0.82 0.09 -0.36 0.00 0.00 175.35 175.59 2fo4 n ASN 42 N 4.77 -2.79 -0.11 1.43 3.02 -0.02 -1.15 115.26 120.41 2fo4 n ASN 42 Ca -0.14 -0.81 -0.01 0.00 -0.03 0.00 0.00 54.58 53.59 2fo4 n ASN 42 Cb 0.48 -3.95 -0.01 0.00 -0.61 0.00 0.00 39.78 35.69 2fo4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fo4 n GLY 43 N -1.65 0.39 3.43 7.41 0.00 -1.26 -5.00 105.19 108.51 2fo4 n GLY 43 Ca -0.15 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2fo4 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fo4 s LYS 44 N -1.23 2.23 0.11 1.61 2.20 -0.30 -5.05 119.74 119.31 2fo4 s LYS 44 Ca 0.00 -0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 54.43 2fo4 s LYS 44 Cb 0.00 -2.22 -0.10 0.00 -1.51 0.00 0.00 37.83 34.00 2fo4 s LYS 44 CO 0.00 0.57 1.76 0.21 -0.36 0.00 0.00 175.35 177.54 2fo4 s LYS 45 N -1.02 4.16 -0.13 4.03 2.20 -1.26 0.20 119.74 127.92 2fo4 s LYS 45 Ca 0.13 2.51 -0.29 0.00 -0.36 0.00 0.00 55.97 57.96 2fo4 s LYS 45 Cb -0.10 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2fo4 s LYS 45 CO 0.02 -0.80 0.99 0.42 -0.36 0.00 0.00 175.35 175.62 2fo4 s ILE 46 N 2.60 4.78 0.00 5.43 1.01 0.86 -4.86 121.20 131.02 2fo4 s ILE 46 Ca 0.78 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.43 2fo4 s ILE 46 Cb -0.44 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.73 2fo4 s ILE 46 CO 0.35 -0.01 0.00 -0.81 0.00 0.00 0.00 174.94 174.46 2fo4 n PRO 47 N 5.18 0.00 -1.73 2.79 -0.04 -1.26 -4.39 135.00 135.54 2fo4 n PRO 47 Ca 0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 2fo4 n PRO 47 Cb 0.48 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.87 2fo4 n PRO 47 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2fo4 s LYS 48 N 0.00 1.75 0.01 0.54 2.36 -1.26 -4.92 119.74 118.23 2fo4 s LYS 48 Ca 0.00 -0.15 -0.01 0.00 -2.55 0.00 0.00 55.97 53.26 2fo4 s LYS 48 Cb 0.00 -4.96 -0.04 0.00 -1.05 0.00 0.00 37.83 31.79 2fo4 s LYS 48 CO 0.00 -4.53 0.13 0.08 1.55 0.00 0.00 175.35 172.59 2fo4 s VAL 49 N 14.16 5.06 -0.14 4.02 1.01 -1.26 -4.86 120.40 138.39 2fo4 s VAL 49 Ca 0.82 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 2fo4 s VAL 49 Cb -0.08 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2fo4 s VAL 49 CO 0.10 0.30 -0.06 -1.61 0.00 0.00 0.00 175.10 173.83 2fo4 s GLU 50 N -1.96 3.56 -0.18 2.72 2.02 -0.23 -4.96 118.70 119.67 2fo4 s GLU 50 Ca 0.26 -0.55 -0.07 0.00 0.02 0.00 0.00 54.97 54.64 2fo4 s GLU 50 Cb -0.12 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 2fo4 s GLU 50 CO 0.18 0.27 0.05 -1.64 0.02 0.00 0.00 175.26 174.14 2fo4 s MET 51 N 0.27 3.93 0.27 1.61 -1.94 -1.26 -0.80 119.30 121.37 2fo4 s MET 51 Ca -0.04 -0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.55 2fo4 s MET 51 Cb -0.14 -3.18 0.01 0.00 2.01 0.00 0.00 34.83 33.53 2fo4 s MET 51 CO 0.03 0.29 0.41 -1.13 -0.01 0.00 0.00 175.02 174.61 2fo4 n SER 52 N 3.47 -1.15 -4.04 3.03 3.41 0.14 -4.99 113.62 113.49 2fo4 n SER 52 Ca -0.17 -2.35 -0.31 0.00 -0.26 0.00 0.00 58.87 55.79 2fo4 n SER 52 Cb 0.52 2.08 -0.03 0.00 -0.26 0.00 0.00 64.21 66.52 2fo4 n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fo4 n ASP 53 N -1.68 -1.15 -4.69 4.04 9.92 -1.26 -0.47 116.55 121.26 2fo4 n ASP 53 Ca -0.01 -1.13 -0.41 0.00 -0.53 0.00 0.00 54.79 52.71 2fo4 n ASP 53 Cb 0.43 -2.48 -0.04 0.00 -0.64 0.00 0.00 41.12 38.40 2fo4 n ASP 53 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2fo4 s MET 54 N -6.85 4.37 0.27 -1.24 1.75 -1.26 -3.98 119.30 112.37 2fo4 s MET 54 Ca 0.14 0.99 -0.14 0.00 -1.25 0.00 0.00 55.69 55.43 2fo4 s MET 54 Cb -0.06 -3.51 0.05 0.00 2.84 0.00 0.00 34.83 34.15 2fo4 s MET 54 CO 0.93 -0.15 0.71 -1.13 -0.65 0.00 0.00 175.02 174.73 2fo4 n SER 55 N 4.54 -1.75 -3.93 1.11 3.41 0.91 -4.99 113.62 112.92 2fo4 n SER 55 Ca 0.02 -2.14 -0.10 0.00 -0.26 0.00 0.00 58.87 56.40 2fo4 n SER 55 Cb 0.50 2.90 -0.09 0.00 -0.26 0.00 0.00 64.21 67.25 2fo4 n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2fo4 s PHE 56 N -3.24 0.19 0.40 7.33 -0.71 -1.26 0.01 117.98 120.71 2fo4 s PHE 56 Ca 0.15 -0.47 -0.01 0.00 -1.04 0.00 0.00 56.93 55.55 2fo4 s PHE 56 Cb -0.04 -0.14 0.08 0.00 -1.21 0.00 0.00 43.02 41.72 2fo4 s PHE 56 CO 0.08 -0.35 0.55 -1.13 -1.34 0.00 0.00 175.22 173.04 2fo4 n SER 57 N 0.89 0.61 0.28 1.98 3.41 -0.97 -4.91 113.62 114.91 2fo4 n SER 57 Ca -0.20 -1.54 0.11 0.00 -0.26 0.00 0.00 58.87 56.98 2fo4 n SER 57 Cb 0.58 -0.37 0.78 0.00 -0.26 0.00 0.00 64.21 64.93 2fo4 n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2fo4 h LYS 58 N 0.00 0.00 -0.23 4.33 2.10 -2.02 -0.48 116.57 120.27 2fo4 h LYS 58 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2fo4 h LYS 58 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2fo4 h LYS 58 CO 0.18 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.23 2fo4 n ASP 59 N -4.19 1.98 0.00 7.07 5.75 -1.26 -4.93 116.55 120.96 2fo4 n ASP 59 Ca -0.03 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 2fo4 n ASP 59 Cb 0.09 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2fo4 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2fo4 n TRP 60 N 0.53 0.00 -2.13 2.11 7.02 -0.19 -5.03 117.44 119.76 2fo4 n TRP 60 Ca 0.16 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.28 2fo4 n TRP 60 Cb 0.37 -0.28 0.02 0.00 -2.42 0.00 0.00 31.31 28.99 2fo4 n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2fo4 s SER 61 N -2.34 5.46 0.27 -0.99 0.01 -1.26 -4.73 113.70 110.13 2fo4 s SER 61 Ca 0.00 2.30 -0.08 0.00 1.31 0.00 0.00 55.95 59.49 2fo4 s SER 61 Cb 0.00 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 2fo4 s SER 61 CO 0.00 -1.40 0.57 -0.36 0.41 0.00 0.00 173.24 172.46 2fo4 s PHE 62 N -1.66 3.45 -0.04 2.43 0.40 0.62 -2.29 117.98 120.89 2fo4 s PHE 62 Ca 0.75 0.79 0.01 0.00 -0.60 0.00 0.00 56.93 57.87 2fo4 s PHE 62 Cb -0.28 -2.21 0.02 0.00 0.51 0.00 0.00 43.02 41.07 2fo4 s PHE 62 CO 0.31 0.19 -0.03 0.71 0.70 0.00 0.00 175.22 177.09 2fo4 s TYR 63 N -1.99 0.58 -0.02 0.36 1.51 0.10 -0.78 117.35 117.11 2fo4 s TYR 63 Ca 0.46 -0.13 -0.07 0.00 -1.01 0.00 0.00 57.07 56.32 2fo4 s TYR 63 Cb -0.11 -0.56 0.01 0.00 -0.11 0.00 0.00 41.96 41.19 2fo4 s TYR 63 CO 0.26 -0.16 0.16 -1.50 -1.11 0.00 0.00 175.55 173.20 2fo4 s ILE 64 N 0.92 0.06 -0.06 2.71 1.10 -0.55 -0.06 121.20 125.32 2fo4 s ILE 64 Ca -0.11 -0.49 0.04 0.00 -0.51 0.00 0.00 60.65 59.58 2fo4 s ILE 64 Cb -0.14 -0.39 -0.02 0.00 0.15 0.00 0.00 42.46 42.06 2fo4 s ILE 64 CO -0.00 -0.27 -0.17 -0.22 -2.11 0.00 0.00 174.94 172.17 2fo4 s LEU 65 N -0.97 2.55 -0.12 8.50 2.96 0.38 -1.66 118.68 130.32 2fo4 s LEU 65 Ca -0.11 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2fo4 s LEU 65 Cb -0.06 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.13 2fo4 s LEU 65 CO 0.01 0.30 -0.20 0.00 -1.32 0.00 0.00 176.35 175.15 2fo4 s ALA 66 N -0.48 2.00 0.07 5.97 0.00 0.51 -0.68 121.76 129.14 2fo4 s ALA 66 Ca 0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2fo4 s ALA 66 Cb -0.12 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.14 2fo4 s ALA 66 CO 0.01 0.04 0.24 -3.38 0.00 0.00 0.00 175.76 172.67 2fo4 s HIS 67 N 0.75 0.04 0.01 0.00 -3.43 0.02 0.45 115.29 113.13 2fo4 s HIS 67 Ca -0.10 -0.34 -0.26 0.00 -0.80 0.00 0.00 55.06 53.56 2fo4 s HIS 67 Cb -0.16 0.01 0.06 0.00 -1.43 0.00 0.00 32.58 31.06 2fo4 s HIS 67 CO 0.01 -0.52 0.59 -0.08 -2.00 0.00 0.00 174.74 172.74 2fo4 s THR 68 N -3.23 0.01 0.37 -5.38 -1.32 -0.93 -1.07 115.64 104.09 2fo4 s THR 68 Ca -0.00 -0.11 -0.26 0.00 -1.21 0.00 0.00 61.69 60.11 2fo4 s THR 68 Cb 0.02 -0.96 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 2fo4 s THR 68 CO -0.08 -0.06 1.07 -1.61 -2.21 0.00 0.00 174.62 171.73 2fo4 s GLU 69 N -1.98 4.28 0.03 7.08 2.02 -1.26 -0.98 118.70 127.88 2fo4 s GLU 69 Ca -0.08 1.62 -0.26 0.00 0.02 0.00 0.00 54.97 56.27 2fo4 s GLU 69 Cb -0.01 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.56 2fo4 s GLU 69 CO 0.02 -0.06 0.60 -0.59 0.02 0.00 0.00 175.26 175.25 2fo4 s PHE 70 N -1.50 -0.55 -0.31 1.61 -0.71 -0.76 -4.84 117.98 110.92 2fo4 s PHE 70 Ca 0.54 0.73 0.03 0.00 -1.04 0.00 0.00 56.93 57.19 2fo4 s PHE 70 Cb -0.26 0.41 0.09 0.00 -1.21 0.00 0.00 43.02 42.06 2fo4 s PHE 70 CO 0.32 -0.66 0.02 0.99 -1.34 0.00 0.00 175.22 174.55 2fo4 s THR 71 N -2.12 1.91 0.60 -4.49 2.01 -1.26 0.10 115.64 112.39 2fo4 s THR 71 Ca -0.07 -1.92 -0.20 0.00 0.31 0.00 0.00 61.69 59.81 2fo4 s THR 71 Cb -0.01 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 2fo4 s THR 71 CO 0.01 -0.46 1.29 -0.81 -0.69 0.00 0.00 174.62 173.97 2fo4 n PRO 72 N 4.44 1.34 -4.34 4.92 -0.04 -1.26 -4.72 135.00 135.34 2fo4 n PRO 72 Ca -0.02 0.51 -0.21 0.00 -0.04 0.00 0.00 63.50 63.74 2fo4 n PRO 72 Cb 0.42 -2.52 -0.11 0.00 -0.04 0.00 0.00 33.50 31.25 2fo4 n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2fo4 s THR 73 N -1.35 1.82 0.28 0.52 2.01 -1.26 -1.26 115.64 116.40 2fo4 s THR 73 Ca 0.78 -2.01 0.37 0.00 0.31 0.00 0.00 61.69 61.13 2fo4 s THR 73 Cb -0.40 -1.91 0.39 0.00 0.01 0.00 0.00 72.50 70.60 2fo4 s THR 73 CO 0.44 -0.39 2.11 -0.08 -0.69 0.00 0.00 174.62 176.01 2fo4 h GLU 74 N 3.04 0.00 0.00 4.92 4.57 -1.97 -3.25 114.58 121.90 2fo4 h GLU 74 Ca -0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2fo4 h GLU 74 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2fo4 h GLU 74 CO 0.54 0.00 -0.92 0.25 -1.18 0.00 0.00 179.01 177.71 2fo4 n THR 75 N -2.96 0.00 -2.46 0.32 -2.24 -1.26 -5.01 114.28 100.67 2fo4 n THR 75 Ca -0.01 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 2fo4 n THR 75 Cb 0.18 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 68.97 2fo4 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2fo4 s ASP 76 N -2.30 7.10 0.07 3.42 1.01 -1.23 -5.04 116.67 119.70 2fo4 s ASP 76 Ca -0.01 2.25 0.07 0.00 0.71 0.00 0.00 52.55 55.58 2fo4 s ASP 76 Cb 0.04 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2fo4 s ASP 76 CO 0.26 -0.26 -0.14 0.42 0.21 0.00 0.00 175.17 175.66 2fo4 s THR 77 N -1.27 3.07 0.06 -1.27 -4.23 -1.26 -4.72 115.64 106.02 2fo4 s THR 77 Ca 0.48 -1.23 0.06 0.00 -1.18 0.00 0.00 61.69 59.83 2fo4 s THR 77 Cb -0.30 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 2fo4 s THR 77 CO 0.39 0.23 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.21 2fo4 s TYR 78 N -1.06 1.55 0.11 3.99 1.51 -1.26 -0.84 117.35 121.34 2fo4 s TYR 78 Ca 0.17 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.72 2fo4 s TYR 78 Cb -0.11 -0.89 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 2fo4 s TYR 78 CO 0.09 0.10 0.31 0.00 -1.11 0.00 0.00 175.55 174.94 2fo4 s ALA 79 N -0.97 -0.64 -0.17 3.71 0.00 -0.54 -1.18 121.76 121.97 2fo4 s ALA 79 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2fo4 s ALA 79 Cb -0.09 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.65 2fo4 s ALA 79 CO 0.02 -0.58 -0.17 0.00 0.00 0.00 0.00 175.76 175.03 2fo4 s ARG 81 N 1.36 3.67 -0.02 0.00 3.52 0.09 -0.54 118.95 127.02 2fo4 s ARG 81 Ca 0.04 -0.48 0.07 0.00 -0.13 0.00 0.00 55.73 55.23 2fo4 s ARG 81 Cb -0.13 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2fo4 s ARG 81 CO -0.11 -0.07 -0.24 0.08 -0.81 0.00 0.00 175.30 174.15 2fo4 s VAL 82 N 1.26 1.89 -0.14 7.11 1.01 0.10 -1.41 120.40 130.22 2fo4 s VAL 82 Ca 0.04 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2fo4 s VAL 82 Cb -0.15 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2fo4 s VAL 82 CO 0.02 0.53 -0.16 -0.54 0.00 0.00 0.00 175.10 174.96 2fo4 s LYS 83 N -0.54 3.23 -0.03 2.72 1.02 0.69 -1.37 119.74 125.46 2fo4 s LYS 83 Ca 0.09 -0.75 -0.17 0.00 0.02 0.00 0.00 55.97 55.16 2fo4 s LYS 83 Cb -0.09 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2fo4 s LYS 83 CO -0.01 0.09 0.37 -1.58 -0.92 0.00 0.00 175.35 173.30 2fo4 s HIS 84 N 0.63 -0.27 0.57 3.18 2.46 -1.26 -1.25 115.29 119.35 2fo4 s HIS 84 Ca -0.09 0.47 0.29 0.00 0.47 0.00 0.00 55.06 56.20 2fo4 s HIS 84 Cb -0.16 0.14 1.48 0.00 -0.13 0.00 0.00 32.58 33.91 2fo4 s HIS 84 CO 0.03 -0.40 1.92 -0.44 -2.47 0.00 0.00 174.74 173.38 2fo4 h ASP 85 N 3.94 0.00 0.33 9.88 3.32 -1.93 -0.22 116.42 131.74 2fo4 h ASP 85 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2fo4 h ASP 85 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2fo4 h ASP 85 CO 0.38 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.36 2fo4 n SER 86 N -3.92 0.00 -4.09 6.45 3.41 -1.26 -4.73 113.62 109.48 2fo4 n SER 86 Ca 0.10 -0.08 -0.22 0.00 -0.26 0.00 0.00 58.87 58.42 2fo4 n SER 86 Cb 0.70 -0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 2fo4 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2fo4 s MET 87 N -2.50 1.08 0.02 4.33 -1.94 -0.10 -4.96 119.30 115.23 2fo4 s MET 87 Ca 0.20 -0.46 -0.27 0.00 -1.71 0.00 0.00 55.69 53.46 2fo4 s MET 87 Cb 0.14 -1.03 -0.16 0.00 2.01 0.00 0.00 34.83 35.78 2fo4 s MET 87 CO 0.30 0.27 1.21 0.00 -0.01 0.00 0.00 175.02 176.78 2fo4 h ALA 88 N 5.87 -0.75 -3.10 3.03 0.00 -1.85 -3.43 119.26 119.03 2fo4 h ALA 88 Ca -0.33 -0.20 -0.63 0.00 0.00 0.00 0.00 54.91 53.75 2fo4 h ALA 88 Cb 1.17 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 19.12 2fo4 h ALA 88 CO 0.49 -0.78 -0.68 -1.21 0.00 0.00 0.00 179.25 177.07 2fo4 s GLU 89 N -4.82 2.33 0.35 0.00 0.41 -1.26 -5.05 118.70 110.66 2fo4 s GLU 89 Ca -0.14 -1.07 -0.27 0.00 -0.41 0.00 0.00 54.97 53.08 2fo4 s GLU 89 Cb 0.02 -2.35 -0.12 0.00 -1.78 0.00 0.00 34.13 29.90 2fo4 s GLU 89 CO 0.49 0.48 1.09 -2.30 -0.49 0.00 0.00 175.26 174.52 2fo4 n PRO 90 N 0.17 1.58 -4.30 0.39 -0.02 -1.26 -4.95 135.00 126.61 2fo4 n PRO 90 Ca -0.11 0.56 -0.34 0.00 -2.02 0.00 0.00 63.50 61.59 2fo4 n PRO 90 Cb 0.54 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 2fo4 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2fo4 s LYS 91 N -1.81 3.56 -0.10 -0.52 2.20 -0.47 -4.92 119.74 117.67 2fo4 s LYS 91 Ca 0.59 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 2fo4 s LYS 91 Cb -0.61 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2fo4 s LYS 91 CO 0.60 0.37 -0.22 0.99 -0.36 0.00 0.00 175.35 176.73 2fo4 s THR 92 N 0.03 1.95 -0.09 3.43 2.01 -1.26 0.01 115.64 121.71 2fo4 s THR 92 Ca 0.02 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2fo4 s THR 92 Cb -0.13 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 2fo4 s THR 92 CO 0.02 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 2fo4 s VAL 93 N 0.48 3.53 0.04 3.82 1.01 0.29 -4.93 120.40 124.64 2fo4 s VAL 93 Ca -0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2fo4 s VAL 93 Cb -0.17 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2fo4 s VAL 93 CO 0.06 0.56 0.25 -0.31 0.00 0.00 0.00 175.10 175.67 2fo4 s TYR 94 N -0.35 3.54 -0.12 5.22 2.02 -1.26 -0.48 117.35 125.92 2fo4 s TYR 94 Ca 0.05 0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.89 2fo4 s TYR 94 Cb -0.12 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 2fo4 s TYR 94 CO 0.02 0.58 1.20 -0.46 -1.57 0.00 0.00 175.55 175.33 2fo4 s TRP 95 N -1.42 3.08 -0.48 2.71 -0.00 -0.33 -4.88 118.94 117.62 2fo4 s TRP 95 Ca 0.32 1.17 -0.13 0.00 -0.00 0.00 0.00 56.10 57.46 2fo4 s TRP 95 Cb -0.13 -3.43 0.10 0.00 -0.00 0.00 0.00 33.47 30.02 2fo4 s TRP 95 CO 0.21 -1.35 0.39 0.34 -0.00 0.00 0.00 176.95 176.54 2fo4 s ASP 96 N 1.64 5.95 0.47 5.86 -1.08 -1.26 -4.78 116.67 123.47 2fo4 s ASP 96 Ca 0.54 -1.67 0.13 0.00 -0.52 0.00 0.00 52.55 51.03 2fo4 s ASP 96 Cb -0.22 -2.11 1.09 0.00 -1.46 0.00 0.00 42.92 40.22 2fo4 s ASP 96 CO 0.17 -0.71 2.08 0.03 0.52 0.00 0.00 175.17 177.27 2fo4 h ARG 97 N 8.65 0.15 -0.50 4.34 3.08 -1.97 -2.90 114.38 125.23 2fo4 h ARG 97 Ca -0.26 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2fo4 h ARG 97 Cb 1.09 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2fo4 h ARG 97 CO 0.90 0.15 0.00 -0.25 -1.07 0.00 0.00 179.97 179.70 2fo4 n ASP 98 N -4.47 2.64 0.00 7.04 8.00 -1.26 -4.94 116.55 123.56 2fo4 n ASP 98 Ca -0.01 -2.11 0.04 0.00 0.71 0.00 0.00 54.79 53.42 2fo4 n ASP 98 Cb 0.12 -0.36 0.24 0.00 -0.02 0.00 0.00 41.12 41.10 2fo4 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61