#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fo5 s SER 1 N 0.00 -0.33 0.04 7.83 0.01 -1.26 -5.20 113.70 114.80 1fo5 s SER 1 Ca 0.00 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 1fo5 s SER 1 Cb 0.00 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 1fo5 s SER 1 CO 0.00 -0.70 -0.03 -1.59 0.41 0.00 0.00 173.24 171.33 1fo5 s LYS 2 N -2.62 0.55 0.30 12.44 -2.85 -1.26 -4.97 119.74 121.32 1fo5 s LYS 2 Ca -0.04 -1.09 0.03 0.00 -1.00 0.00 0.00 55.97 53.86 1fo5 s LYS 2 Cb -0.00 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 1fo5 s LYS 2 CO -0.03 -0.10 0.45 0.08 0.10 0.00 0.00 175.35 175.85 1fo5 s VAL 3 N -3.40 5.11 0.13 1.79 1.01 0.90 -5.03 120.40 120.91 1fo5 s VAL 3 Ca 0.02 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1fo5 s VAL 3 Cb 0.04 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1fo5 s VAL 3 CO -0.08 -0.42 -0.14 -0.54 0.00 0.00 0.00 175.10 173.91 1fo5 s LYS 4 N -4.15 1.05 -0.00 2.72 3.01 -0.74 -1.75 119.74 119.88 1fo5 s LYS 4 Ca 0.37 -1.26 -0.08 0.00 -1.01 0.00 0.00 55.97 53.99 1fo5 s LYS 4 Cb -0.09 -0.95 0.00 0.00 -1.01 0.00 0.00 37.83 35.78 1fo5 s LYS 4 CO 0.32 0.18 0.15 0.42 0.51 0.00 0.00 175.35 176.94 1fo5 s ILE 5 N -2.16 0.08 0.05 2.17 1.01 0.19 -2.40 121.20 120.14 1fo5 s ILE 5 Ca 0.10 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1fo5 s ILE 5 Cb -0.05 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1fo5 s ILE 5 CO 0.03 -0.35 -0.09 -1.61 0.00 0.00 0.00 174.94 172.93 1fo5 s GLU 6 N -1.30 0.60 -0.47 2.79 2.02 -0.71 -1.22 118.70 120.41 1fo5 s GLU 6 Ca -0.14 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.06 1fo5 s GLU 6 Cb -0.07 -0.37 0.13 0.00 0.10 0.00 0.00 34.13 33.91 1fo5 s GLU 6 CO 0.02 0.07 0.22 -0.51 0.02 0.00 0.00 175.26 175.08 1fo5 s LEU 7 N -1.70 3.85 -1.10 1.80 2.01 0.50 -1.52 118.68 122.51 1fo5 s LEU 7 Ca -0.07 -2.76 -0.13 0.00 0.01 0.00 0.00 54.13 51.19 1fo5 s LEU 7 Cb -0.09 -1.45 0.21 0.00 0.01 0.00 0.00 46.19 44.88 1fo5 s LEU 7 CO 0.00 -0.27 1.21 0.12 1.01 0.00 0.00 176.35 178.43 1fo5 s PHE 8 N 0.10 3.79 0.20 0.29 2.19 0.07 -0.53 117.98 124.07 1fo5 s PHE 8 Ca 0.16 -2.26 -0.01 0.00 0.33 0.00 0.00 56.93 55.15 1fo5 s PHE 8 Cb -0.24 -4.08 -0.04 0.00 -1.31 0.00 0.00 43.02 37.35 1fo5 s PHE 8 CO -0.02 -1.19 0.14 0.95 1.83 0.00 0.00 175.22 176.93 1fo5 s THR 9 N 0.46 0.00 0.37 0.12 -4.23 -1.24 -1.38 115.64 109.73 1fo5 s THR 9 Ca 0.35 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1fo5 s THR 9 Cb -0.07 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1fo5 s THR 9 CO -0.05 -0.01 0.00 -0.24 -0.54 0.00 0.00 174.62 173.78 1fo5 n SER 10 N -0.27 -3.32 -4.74 3.99 2.88 -1.26 -0.86 113.62 110.04 1fo5 n SER 10 Ca 0.02 0.81 -0.42 0.00 -1.33 0.00 0.00 58.87 57.95 1fo5 n SER 10 Cb 0.66 3.18 -0.02 0.00 -0.75 0.00 0.00 64.21 67.28 1fo5 n SER 10 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1fo5 n PRO 11 N -3.34 2.72 -2.30 -1.46 -0.04 -1.26 -4.97 135.00 124.36 1fo5 n PRO 11 Ca 0.00 0.97 -0.03 0.00 -0.04 0.00 0.00 63.50 64.40 1fo5 n PRO 11 Cb 0.00 -2.77 -0.01 0.00 -0.04 0.00 0.00 33.50 30.68 1fo5 n PRO 11 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1fo5 n MET 12 N 2.65 0.13 0.00 0.54 2.81 -1.26 -4.97 117.12 117.03 1fo5 n MET 12 Ca 0.11 -0.44 0.00 0.00 -1.81 0.00 0.00 57.70 55.55 1fo5 n MET 12 Cb 0.36 0.35 0.00 0.00 -0.71 0.00 0.00 33.22 33.22 1fo5 n MET 12 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fo5 n PRO 14 N 0.00 0.15 -2.97 0.00 -0.04 -1.26 -2.20 135.00 128.67 1fo5 n PRO 14 Ca 0.00 0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 1fo5 n PRO 14 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1fo5 n PRO 14 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1fo5 n HIS 15 N -1.22 0.37 0.12 0.54 1.44 -1.26 -4.53 115.22 110.68 1fo5 n HIS 15 Ca 0.04 -3.34 -0.13 0.00 -2.01 0.00 0.00 57.72 52.28 1fo5 n HIS 15 Cb 0.06 -0.29 -0.06 0.00 0.12 0.00 0.00 29.99 29.82 1fo5 n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fo5 n PRO 17 N -5.34 3.50 0.00 0.00 -0.04 -1.26 -4.80 135.00 127.05 1fo5 n PRO 17 Ca -0.07 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1fo5 n PRO 17 Cb 0.26 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1fo5 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fo5 n ALA 18 N 4.00 0.00 0.32 0.55 0.00 -1.22 -0.81 120.51 123.35 1fo5 n ALA 18 Ca 0.73 0.00 0.21 0.00 0.00 0.00 0.00 53.44 54.38 1fo5 n ALA 18 Cb 0.25 0.00 1.11 0.00 0.00 0.00 0.00 19.45 20.81 1fo5 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fo5 h ALA 19 N -2.00 1.04 0.76 0.00 0.00 -1.91 -1.85 119.26 115.30 1fo5 h ALA 19 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1fo5 h ALA 19 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1fo5 h ALA 19 CO 0.00 -0.04 -0.37 -0.22 0.00 0.00 0.00 179.25 178.63 1fo5 h LYS 20 N 0.00 -0.98 -0.61 0.00 1.63 -1.91 0.15 116.57 114.85 1fo5 h LYS 20 Ca 0.00 0.07 0.08 0.00 -0.85 0.00 0.00 60.65 59.95 1fo5 h LYS 20 Cb 0.08 0.22 -0.07 0.00 -0.60 0.00 0.00 32.23 31.86 1fo5 h LYS 20 CO 0.00 -0.65 0.26 0.00 -3.45 0.00 0.00 179.45 175.60 1fo5 h ARG 21 N -1.27 0.45 -0.31 1.90 3.08 -0.36 -0.46 114.38 117.41 1fo5 h ARG 21 Ca -0.10 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 1fo5 h ARG 21 Cb 0.78 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1fo5 h ARG 21 CO 0.17 0.30 -0.36 0.28 -1.07 0.00 0.00 179.97 179.29 1fo5 h VAL 22 N 0.47 1.29 -0.20 2.04 2.07 -1.38 0.15 116.25 120.69 1fo5 h VAL 22 Ca 0.30 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.20 1fo5 h VAL 22 Cb 0.32 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1fo5 h VAL 22 CO -0.27 0.49 -0.28 1.62 0.02 0.00 0.00 177.57 179.16 1fo5 h VAL 23 N 0.59 1.27 0.39 2.57 3.04 -0.42 -1.85 116.25 121.84 1fo5 h VAL 23 Ca 0.06 -1.27 -0.02 0.00 -1.01 0.00 0.00 66.70 64.45 1fo5 h VAL 23 Cb 0.89 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1fo5 h VAL 23 CO 0.08 0.40 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.52 1fo5 h GLU 24 N 0.33 -0.51 -0.37 4.17 3.07 -0.65 -0.34 114.58 120.29 1fo5 h GLU 24 Ca 0.05 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.99 1fo5 h GLU 24 Cb 0.67 0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 28.62 1fo5 h GLU 24 CO 0.05 -0.34 -0.52 1.49 -1.40 0.00 0.00 179.01 178.29 1fo5 h GLU 25 N -0.53 -0.37 0.08 2.33 4.81 -0.77 -1.67 114.58 118.46 1fo5 h GLU 25 Ca -0.05 0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 58.93 1fo5 h GLU 25 Cb 0.40 0.08 0.03 0.00 0.63 0.00 0.00 28.75 29.89 1fo5 h GLU 25 CO 0.09 -0.25 -1.12 -0.24 -0.73 0.00 0.00 179.01 176.76 1fo5 h VAL 26 N -0.38 1.30 -0.05 0.32 3.04 -1.38 -3.20 116.25 115.90 1fo5 h VAL 26 Ca 0.07 -2.37 0.01 0.00 -1.01 0.00 0.00 66.70 63.40 1fo5 h VAL 26 Cb 0.56 2.62 -0.00 0.00 -2.01 0.00 0.00 31.29 32.46 1fo5 h VAL 26 CO -0.55 0.72 0.05 0.00 -1.01 0.00 0.00 177.57 176.78 1fo5 h ALA 27 N 0.31 1.65 -0.92 3.17 0.00 -0.94 0.73 119.26 123.26 1fo5 h ALA 27 Ca -0.16 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.88 1fo5 h ALA 27 Cb 1.80 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.45 1fo5 h ALA 27 CO 0.22 -0.07 -0.38 -1.71 0.00 0.00 0.00 179.25 177.30 1fo5 n ASN 28 N -3.92 -0.64 -0.02 0.00 5.15 -0.64 -1.92 115.26 113.28 1fo5 n ASN 28 Ca -0.02 1.61 0.02 0.00 -0.60 0.00 0.00 54.58 55.59 1fo5 n ASN 28 Cb 0.14 -0.35 -0.13 0.00 -0.53 0.00 0.00 39.78 38.92 1fo5 n ASN 28 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1fo5 n GLU 29 N -5.33 0.65 -3.22 1.20 -0.58 0.10 -4.74 120.64 108.73 1fo5 n GLU 29 Ca 0.08 0.01 -0.21 0.00 -0.42 0.00 0.00 57.16 56.62 1fo5 n GLU 29 Cb 0.35 -1.63 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 1fo5 n GLU 29 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1fo5 n MET 30 N -2.62 0.33 -0.18 3.49 2.81 -0.33 -5.02 117.12 115.59 1fo5 n MET 30 Ca -0.14 -2.90 0.00 0.00 -1.81 0.00 0.00 57.70 52.85 1fo5 n MET 30 Cb 0.82 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 1fo5 n MET 30 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1fo5 n PRO 31 N 2.67 0.76 0.00 0.03 -0.04 -0.81 -3.49 135.00 134.12 1fo5 n PRO 31 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1fo5 n PRO 31 Cb 0.51 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1fo5 n PRO 31 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1fo5 n ASP 32 N 1.10 0.00 -0.23 3.54 8.00 -1.26 -4.95 116.55 122.74 1fo5 n ASP 32 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1fo5 n ASP 32 Cb 0.38 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1fo5 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fo5 n ALA 33 N -1.85 1.91 -3.63 2.24 0.00 -1.24 -4.46 120.51 113.48 1fo5 n ALA 33 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1fo5 n ALA 33 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1fo5 n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fo5 s VAL 34 N -1.53 3.46 -0.80 0.00 1.01 -1.23 -0.07 120.40 121.25 1fo5 s VAL 34 Ca 0.00 -1.76 -0.26 0.00 0.00 0.00 0.00 61.98 59.96 1fo5 s VAL 34 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1fo5 s VAL 34 CO 0.00 -0.53 1.51 -1.61 0.00 0.00 0.00 175.10 174.47 1fo5 s GLU 35 N 1.23 3.10 0.39 2.72 2.02 -0.72 -4.92 118.70 122.52 1fo5 s GLU 35 Ca 0.04 -0.27 -0.12 0.00 0.02 0.00 0.00 54.97 54.64 1fo5 s GLU 35 Cb -0.22 -4.59 -0.07 0.00 0.10 0.00 0.00 34.13 29.34 1fo5 s GLU 35 CO -0.02 -2.42 0.77 0.14 0.02 0.00 0.00 175.26 173.75 1fo5 s VAL 36 N 6.73 4.74 0.01 2.63 -7.23 -1.26 -0.64 120.40 125.39 1fo5 s VAL 36 Ca 0.48 0.75 -0.00 0.00 -1.81 0.00 0.00 61.98 61.40 1fo5 s VAL 36 Cb -0.07 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 1fo5 s VAL 36 CO 0.09 -0.43 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.73 1fo5 s GLU 37 N -3.60 0.22 -0.91 4.82 -6.30 -0.36 -4.92 118.70 107.66 1fo5 s GLU 37 Ca 0.52 -0.42 -0.00 0.00 -2.50 0.00 0.00 54.97 52.58 1fo5 s GLU 37 Cb -0.10 0.08 0.29 0.00 0.00 0.00 0.00 34.13 34.39 1fo5 s GLU 37 CO 0.27 -0.04 1.21 0.98 0.02 0.00 0.00 175.26 177.70 1fo5 n TYR 38 N 2.05 2.78 -2.56 5.30 4.19 -1.26 -0.37 117.16 127.28 1fo5 n TYR 38 Ca -0.20 -3.18 -0.42 0.00 3.31 0.00 0.00 57.90 57.41 1fo5 n TYR 38 Cb 0.57 -0.98 -0.02 0.00 0.49 0.00 0.00 39.34 39.40 1fo5 n TYR 38 CO 0.00 0.00 0.00 0.96 0.91 0.00 0.00 176.86 178.73 1fo5 s ILE 39 N -2.71 4.02 0.16 2.97 -0.00 0.31 -4.94 121.20 121.00 1fo5 s ILE 39 Ca 0.35 -1.35 -0.31 0.00 -0.00 0.00 0.00 60.65 59.33 1fo5 s ILE 39 Cb 0.09 -5.12 -0.11 0.00 -0.00 0.00 0.00 42.46 37.32 1fo5 s ILE 39 CO 0.06 -1.98 1.71 0.54 -0.00 0.00 0.00 174.94 175.28 1fo5 s ASN 40 N 4.62 6.46 -0.15 4.36 6.03 -1.26 -3.73 114.94 131.28 1fo5 s ASN 40 Ca 0.50 2.74 -0.29 0.00 -1.03 0.00 0.00 52.86 54.78 1fo5 s ASN 40 Cb 0.02 -2.58 -0.02 0.00 -3.03 0.00 0.00 41.25 35.64 1fo5 s ASN 40 CO -0.01 -0.94 1.30 -0.69 -2.03 0.00 0.00 177.10 174.74 1fo5 s VAL 41 N 1.80 4.20 0.00 3.54 1.01 -0.04 -4.42 120.40 126.49 1fo5 s VAL 41 Ca 0.75 1.45 0.00 0.00 0.00 0.00 0.00 61.98 64.19 1fo5 s VAL 41 Cb -0.46 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1fo5 s VAL 41 CO 0.33 -0.12 0.00 0.23 0.00 0.00 0.00 175.10 175.54 1fo5 n MET 42 N 6.59 0.00 -3.65 2.72 2.00 -1.26 -4.68 117.12 118.83 1fo5 n MET 42 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.55 1fo5 n MET 42 Cb 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.53 1fo5 n MET 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1fo5 s GLU 43 N -0.52 0.93 -0.07 0.03 2.12 -1.26 -5.10 118.70 114.83 1fo5 s GLU 43 Ca 0.00 -1.56 -0.04 0.00 0.36 0.00 0.00 54.97 53.73 1fo5 s GLU 43 Cb 0.00 -1.97 0.03 0.00 0.26 0.00 0.00 34.13 32.46 1fo5 s GLU 43 CO 0.00 -1.12 0.18 1.21 -0.54 0.00 0.00 175.26 174.98 1fo5 s ASN 44 N 0.91 -0.17 0.69 -1.70 3.84 -1.26 -5.01 114.94 112.24 1fo5 s ASN 44 Ca 0.15 0.36 -0.17 0.00 0.21 0.00 0.00 52.86 53.42 1fo5 s ASN 44 Cb -0.22 0.29 0.02 0.00 -0.55 0.00 0.00 41.25 40.78 1fo5 s ASN 44 CO -0.07 -0.13 1.25 -2.16 -2.79 0.00 0.00 177.10 173.21 1fo5 s PRO 45 N 0.87 2.31 0.00 0.43 0.04 -1.26 -4.88 135.00 132.52 1fo5 s PRO 45 Ca -0.06 1.93 0.03 0.00 0.04 0.00 0.00 61.00 62.93 1fo5 s PRO 45 Cb -0.08 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.78 1fo5 s PRO 45 CO -0.05 -1.75 0.47 1.04 0.04 0.00 0.00 177.00 176.75 1fo5 n GLN 46 N -2.32 0.20 0.04 4.56 6.02 -1.26 -4.23 117.38 120.38 1fo5 n GLN 46 Ca 0.15 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.17 1fo5 n GLN 46 Cb 0.49 -1.21 0.18 0.00 1.02 0.00 0.00 30.24 30.72 1fo5 n GLN 46 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1fo5 n LYS 47 N -0.71 0.04 -0.04 -1.09 -0.00 -1.26 -0.18 118.16 114.92 1fo5 n LYS 47 Ca 0.02 0.51 -0.13 0.00 -0.00 0.00 0.00 58.31 58.71 1fo5 n LYS 47 Cb 0.01 -1.62 -0.14 0.00 -0.00 0.00 0.00 35.03 33.28 1fo5 n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fo5 n ALA 48 N -1.57 1.33 0.59 0.58 0.00 -1.26 -4.43 120.51 115.75 1fo5 n ALA 48 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 53.44 52.66 1fo5 n ALA 48 Cb 0.03 -0.62 0.33 0.00 0.00 0.00 0.00 19.45 19.18 1fo5 n ALA 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1fo5 n MET 49 N -3.13 0.14 0.26 0.00 2.81 0.75 -1.23 117.12 116.73 1fo5 n MET 49 Ca -0.26 0.19 0.12 0.00 -1.81 0.00 0.00 57.70 55.94 1fo5 n MET 49 Cb 1.06 -1.50 0.72 0.00 -0.71 0.00 0.00 33.22 32.80 1fo5 n MET 49 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1fo5 h GLU 50 N 0.00 0.00 -6.92 0.03 4.11 -1.10 -3.46 114.58 107.24 1fo5 h GLU 50 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1fo5 h GLU 50 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1fo5 h GLU 50 CO 0.00 0.11 0.19 0.71 0.07 0.00 0.00 179.01 180.10 1fo5 s TYR 51 N -4.30 3.44 0.00 2.06 2.02 -0.37 -4.96 117.35 115.24 1fo5 s TYR 51 Ca -0.03 1.22 -0.01 0.00 -0.37 0.00 0.00 57.07 57.88 1fo5 s TYR 51 Cb 0.14 -2.58 -0.05 0.00 -0.40 0.00 0.00 41.96 39.07 1fo5 s TYR 51 CO 0.59 -0.13 1.92 0.41 -1.57 0.00 0.00 175.55 176.77 1fo5 n GLY 52 N -1.14 2.20 1.94 0.71 0.00 -1.26 -3.04 105.19 104.60 1fo5 n GLY 52 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1fo5 n GLY 52 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fo5 n ILE 53 N 1.86 0.02 -0.35 -0.61 0.13 -1.26 -5.05 119.36 114.09 1fo5 n ILE 53 Ca 0.08 0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.74 1fo5 n ILE 53 Cb 0.48 -0.56 0.00 0.00 -0.84 0.00 0.00 39.64 38.72 1fo5 n ILE 53 CO 0.00 0.00 0.00 0.23 2.80 0.00 0.00 176.55 179.58 1fo5 n MET 54 N -2.76 0.00 0.00 9.51 2.81 -1.17 -4.93 117.12 120.58 1fo5 n MET 54 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1fo5 n MET 54 Cb 0.02 -4.11 0.00 0.00 -0.71 0.00 0.00 33.22 28.42 1fo5 n MET 54 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fo5 n ALA 55 N 0.98 0.00 -3.14 3.04 0.00 -1.26 -4.78 120.51 115.34 1fo5 n ALA 55 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1fo5 n ALA 55 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1fo5 n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fo5 s VAL 56 N -0.11 0.05 -0.41 0.00 1.01 -1.26 -4.37 120.40 115.31 1fo5 s VAL 56 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 1fo5 s VAL 56 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1fo5 s VAL 56 CO 0.00 -0.21 1.48 -2.16 0.00 0.00 0.00 175.10 174.20 1fo5 s PRO 57 N -3.62 3.51 -0.09 2.72 0.04 -1.26 -5.02 135.00 131.27 1fo5 s PRO 57 Ca 0.01 0.98 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 1fo5 s PRO 57 Cb 0.01 -4.06 -0.05 0.00 0.04 0.00 0.00 34.50 30.44 1fo5 s PRO 57 CO -0.11 -1.64 0.42 0.99 0.04 0.00 0.00 177.00 176.69 1fo5 s THR 58 N 5.73 5.17 0.03 1.26 2.01 -0.48 -4.57 115.64 124.78 1fo5 s THR 58 Ca 0.64 0.83 0.03 0.00 0.31 0.00 0.00 61.69 63.50 1fo5 s THR 58 Cb -0.15 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1fo5 s THR 58 CO 0.32 0.41 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.95 1fo5 s ILE 59 N 0.11 0.61 -0.20 1.82 -1.09 -0.43 -0.75 121.20 121.26 1fo5 s ILE 59 Ca 0.23 -0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1fo5 s ILE 59 Cb -0.15 -0.61 -0.00 0.00 -1.58 0.00 0.00 42.46 40.12 1fo5 s ILE 59 CO 0.10 -0.17 -0.10 -0.69 -1.23 0.00 0.00 174.94 172.85 1fo5 s VAL 60 N -0.92 2.94 0.01 2.92 1.01 -0.57 -1.03 120.40 124.76 1fo5 s VAL 60 Ca -0.04 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1fo5 s VAL 60 Cb -0.07 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1fo5 s VAL 60 CO 0.00 0.47 -0.03 0.27 0.00 0.00 0.00 175.10 175.81 1fo5 s ILE 61 N 1.30 3.91 0.00 2.22 -5.25 -0.56 -1.74 121.20 121.08 1fo5 s ILE 61 Ca 0.04 -0.73 0.00 0.00 -0.99 0.00 0.00 60.65 58.96 1fo5 s ILE 61 Cb -0.14 -2.74 0.00 0.00 2.95 0.00 0.00 42.46 42.53 1fo5 s ILE 61 CO -0.05 0.35 0.00 -3.20 -1.79 0.00 0.00 174.94 170.25 1fo5 n ASN 62 N 1.35 0.00 0.00 4.36 2.85 -1.24 -0.56 115.26 122.02 1fo5 n ASN 62 Ca -0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1fo5 n ASN 62 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 1fo5 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1fo5 n GLY 63 N 0.00 0.10 3.66 8.20 0.00 -1.01 -1.80 105.19 114.34 1fo5 n GLY 63 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1fo5 n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fo5 s ASP 64 N 0.00 6.57 0.48 1.61 2.15 0.28 -5.02 116.67 122.73 1fo5 s ASP 64 Ca 0.00 0.69 -0.20 0.00 0.43 0.00 0.00 52.55 53.46 1fo5 s ASP 64 Cb 0.00 -2.30 -0.09 0.00 -0.30 0.00 0.00 42.92 40.24 1fo5 s ASP 64 CO 0.00 -0.19 1.03 0.54 -0.17 0.00 0.00 175.17 176.39 1fo5 s VAL 65 N 1.65 3.81 -0.07 1.11 0.11 -1.26 -1.49 120.40 124.26 1fo5 s VAL 65 Ca 0.24 1.13 -0.32 0.00 -2.93 0.00 0.00 61.98 60.11 1fo5 s VAL 65 Cb -0.15 -3.46 0.13 0.00 -1.53 0.00 0.00 36.38 31.37 1fo5 s VAL 65 CO 0.10 -0.24 1.38 -0.70 -3.33 0.00 0.00 175.10 172.31 1fo5 s GLU 66 N -3.21 0.15 -0.01 1.54 2.56 -0.20 -4.95 118.70 114.58 1fo5 s GLU 66 Ca 0.67 -0.08 0.01 0.00 0.00 0.00 0.00 54.97 55.57 1fo5 s GLU 66 Cb -0.16 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.02 1fo5 s GLU 66 CO 0.20 -0.07 -0.03 -0.59 -0.56 0.00 0.00 175.26 174.21 1fo5 s PHE 67 N -2.13 0.32 -0.63 5.30 -0.71 -1.26 -1.32 117.98 117.55 1fo5 s PHE 67 Ca 0.17 -0.06 0.06 0.00 -1.04 0.00 0.00 56.93 56.07 1fo5 s PHE 67 Cb 0.06 -0.22 0.24 0.00 -1.21 0.00 0.00 43.02 41.88 1fo5 s PHE 67 CO -0.05 -0.02 0.69 -0.89 -1.34 0.00 0.00 175.22 173.61 1fo5 n ILE 68 N 3.10 2.03 -1.19 -4.49 2.08 -0.34 -4.98 119.36 115.57 1fo5 n ILE 68 Ca -0.14 -5.08 0.00 0.00 0.56 0.00 0.00 62.75 58.10 1fo5 n ILE 68 Cb 0.58 -2.10 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 1fo5 n ILE 68 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1fo5 n GLY 69 N 1.07 -1.80 0.26 7.39 0.00 -1.25 -4.28 105.19 106.59 1fo5 n GLY 69 Ca 0.28 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.55 1fo5 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fo5 h ALA 70 N 0.00 1.97 -3.00 4.61 0.00 -1.97 -3.41 119.26 117.45 1fo5 h ALA 70 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fo5 h ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1fo5 h ALA 70 CO 0.00 -0.01 0.00 -0.35 0.00 0.00 0.00 179.25 178.89 1fo5 n PRO 71 N -4.48 0.00 0.00 0.00 -0.04 -1.26 -4.50 135.00 124.72 1fo5 n PRO 71 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1fo5 n PRO 71 Cb 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.55 1fo5 n PRO 71 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1fo5 n THR 72 N 0.00 0.00 0.21 0.52 -2.24 -1.26 -4.66 114.28 106.85 1fo5 n THR 72 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1fo5 n THR 72 Cb 0.00 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.45 1fo5 n THR 72 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1fo5 n LYS 73 N 0.00 2.70 -0.19 -0.78 3.00 -1.26 -1.20 118.16 120.43 1fo5 n LYS 73 Ca 0.00 -1.77 0.03 0.00 -0.00 0.00 0.00 58.31 56.56 1fo5 n LYS 73 Cb 0.00 -1.65 0.07 0.00 0.00 0.00 0.00 35.03 33.44 1fo5 n LYS 73 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1fo5 n GLU 74 N 0.61 -0.06 -0.11 1.64 4.71 -1.26 -0.56 120.64 125.62 1fo5 n GLU 74 Ca 0.16 0.81 -0.12 0.00 -0.01 0.00 0.00 57.16 58.00 1fo5 n GLU 74 Cb 0.60 -1.20 -0.03 0.00 -1.01 0.00 0.00 31.44 29.79 1fo5 n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1fo5 h ALA 75 N 1.00 0.45 -0.10 0.62 0.00 -1.91 -1.85 119.26 117.46 1fo5 h ALA 75 Ca 0.24 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1fo5 h ALA 75 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1fo5 h ALA 75 CO -0.53 0.32 -0.61 1.25 0.00 0.00 0.00 179.25 179.68 1fo5 h LEU 76 N 0.42 0.40 -0.40 0.00 7.12 -1.24 -3.05 115.31 118.57 1fo5 h LEU 76 Ca 0.08 -0.23 0.08 0.00 0.13 0.00 0.00 57.88 57.94 1fo5 h LEU 76 Cb 0.63 -0.12 -0.09 0.00 -0.53 0.00 0.00 40.66 40.56 1fo5 h LEU 76 CO 0.04 0.92 -0.30 0.58 -0.13 0.00 0.00 178.44 179.55 1fo5 h VAL 77 N 0.26 0.27 0.00 1.05 2.07 -0.92 0.44 116.25 119.42 1fo5 h VAL 77 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1fo5 h VAL 77 Cb 1.14 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1fo5 h VAL 77 CO 0.10 0.00 0.00 -0.08 0.02 0.00 0.00 177.57 177.61 1fo5 h GLU 78 N -0.23 0.00 0.02 1.57 4.57 -1.23 -1.67 114.58 117.61 1fo5 h GLU 78 Ca 0.18 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1fo5 h GLU 78 Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1fo5 h GLU 78 CO -0.53 0.00 -0.56 0.00 -1.18 0.00 0.00 179.01 176.75 1fo5 h ALA 79 N 2.15 0.09 -0.51 2.92 0.00 -0.89 -3.18 119.26 119.84 1fo5 h ALA 79 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 1fo5 h ALA 79 Cb 0.31 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1fo5 h ALA 79 CO 0.00 0.31 0.32 -0.84 0.00 0.00 0.00 179.25 179.03 1fo5 h ILE 80 N -0.91 1.14 0.00 0.00 3.07 -0.98 0.82 117.51 120.65 1fo5 h ILE 80 Ca -0.14 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1fo5 h ILE 80 Cb 1.19 0.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.16 1fo5 h ILE 80 CO -0.05 0.15 0.04 0.11 -1.05 0.00 0.00 178.15 177.35 1fo5 h LYS 81 N 0.70 0.00 0.00 0.16 1.57 -1.40 -2.60 116.57 115.01 1fo5 h LYS 81 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1fo5 h LYS 81 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1fo5 h LYS 81 CO -0.04 0.00 -0.14 0.36 -0.57 0.00 0.00 179.45 179.06 1fo5 n LYS 82 N -3.01 0.11 0.00 3.15 -0.00 -0.33 -4.99 118.16 113.10 1fo5 n LYS 82 Ca -0.03 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 1fo5 n LYS 82 Cb 0.11 -0.96 0.00 0.00 -0.00 0.00 0.00 35.03 34.18 1fo5 n LYS 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1fo5 n ARG 83 N -2.86 0.00 0.00 -1.58 1.74 0.13 -5.10 116.66 109.00 1fo5 n ARG 83 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1fo5 n ARG 83 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 1fo5 n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00