#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 -0.10 -0.30 7.83 0.01 -1.26 -5.09 113.70 114.79 1fo5 s SER 1 Ca 0.00 0.84 -0.00 0.00 1.31 0.00 0.00 55.95 58.10 1fo5 s SER 1 Cb 0.00 1.05 0.19 0.00 0.21 0.00 0.00 66.02 67.47 1fo5 s SER 1 CO 0.00 -0.23 0.60 -0.75 0.41 0.00 0.00 173.24 173.27 1fo5 s LYS 2 N 2.36 0.57 -0.40 12.44 2.47 -1.26 -4.80 119.74 131.12 1fo5 s LYS 2 Ca -0.02 0.94 -0.29 0.00 -1.56 0.00 0.00 55.97 55.04 1fo5 s LYS 2 Cb -0.12 0.50 0.01 0.00 -1.46 0.00 0.00 37.83 36.77 1fo5 s LYS 2 CO -0.11 -0.68 1.37 0.08 0.16 0.00 0.00 175.35 176.17 1fo5 s VAL 3 N 2.85 3.97 -1.36 4.02 1.01 0.73 -4.89 120.40 126.72 1fo5 s VAL 3 Ca 0.19 1.01 -0.07 0.00 0.00 0.00 0.00 61.98 63.11 1fo5 s VAL 3 Cb -0.14 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.11 1fo5 s VAL 3 CO -0.22 -0.72 2.39 0.29 0.00 0.00 0.00 175.10 176.84 1fo5 n LYS 4 N 7.92 4.28 -2.10 2.72 4.76 -0.69 -1.61 118.16 133.44 1fo5 n LYS 4 Ca 0.16 -3.27 -0.41 0.00 -2.87 0.00 0.00 58.31 51.92 1fo5 n LYS 4 Cb 0.48 -2.72 -0.02 0.00 -1.84 0.00 0.00 35.03 30.93 1fo5 n LYS 4 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1fo5 s ILE 5 N -0.33 2.84 0.00 -0.18 1.09 0.08 -4.36 121.20 120.34 1fo5 s ILE 5 Ca 0.54 0.73 0.01 0.00 -1.10 0.00 0.00 60.65 60.83 1fo5 s ILE 5 Cb 0.17 -3.47 -0.01 0.00 -1.06 0.00 0.00 42.46 38.10 1fo5 s ILE 5 CO -0.07 0.13 -0.04 -1.61 -0.10 0.00 0.00 174.94 173.25 1fo5 s GLU 6 N -0.69 0.32 -0.49 2.79 2.02 -0.71 -1.67 118.70 120.27 1fo5 s GLU 6 Ca 0.56 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 55.37 1fo5 s GLU 6 Cb -0.40 -0.27 0.15 0.00 0.10 0.00 0.00 34.13 33.71 1fo5 s GLU 6 CO 0.44 0.07 0.33 -1.17 0.02 0.00 0.00 175.26 174.95 1fo5 s LEU 7 N -0.28 2.82 -0.83 1.80 1.98 -0.08 -0.67 118.68 123.42 1fo5 s LEU 7 Ca -0.00 -3.02 -0.04 0.00 -2.89 0.00 0.00 54.13 48.17 1fo5 s LEU 7 Cb -0.03 -1.01 0.21 0.00 0.66 0.00 0.00 46.19 46.03 1fo5 s LEU 7 CO -0.00 -0.20 0.72 0.12 -1.89 0.00 0.00 176.35 175.10 1fo5 s PHE 8 N -0.14 3.78 0.33 5.38 2.19 0.26 -1.53 117.98 128.25 1fo5 s PHE 8 Ca 0.23 -2.80 0.07 0.00 0.33 0.00 0.00 56.93 54.77 1fo5 s PHE 8 Cb -0.12 -3.35 -0.03 0.00 -1.31 0.00 0.00 43.02 38.21 1fo5 s PHE 8 CO -0.09 -0.81 0.26 0.25 1.83 0.00 0.00 175.22 176.65 1fo5 n THR 9 N 2.87 0.00 -2.99 0.12 -2.24 -1.15 -0.83 114.28 110.05 1fo5 n THR 9 Ca 0.17 -2.36 -0.16 0.00 -2.27 0.00 0.00 64.05 59.43 1fo5 n THR 9 Cb 0.39 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 1fo5 n THR 9 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1fo5 n SER 10 N -1.70 -1.45 -4.74 3.42 2.88 -1.26 -0.52 113.62 110.25 1fo5 n SER 10 Ca 0.06 -2.94 -0.41 0.00 -1.33 0.00 0.00 58.87 54.25 1fo5 n SER 10 Cb 0.59 0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 64.60 1fo5 n SER 10 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1fo5 s PRO 11 N -0.14 4.45 0.00 -1.46 0.04 -1.26 -4.92 135.00 131.72 1fo5 s PRO 11 Ca 0.33 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1fo5 s PRO 11 Cb 0.17 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1fo5 s PRO 11 CO -0.17 -0.13 0.00 -0.12 0.04 0.00 0.00 177.00 176.62 1fo5 n MET 12 N 2.20 2.40 -0.05 4.56 1.56 -1.26 -4.89 117.12 121.64 1fo5 n MET 12 Ca 0.04 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.37 1fo5 n MET 12 Cb 0.44 -0.80 -0.04 0.00 2.15 0.00 0.00 33.22 34.96 1fo5 n MET 12 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1fo5 n PRO 14 N -3.18 3.38 -1.84 0.00 -0.04 -1.26 -4.91 135.00 127.14 1fo5 n PRO 14 Ca -0.20 -3.20 -0.21 0.00 -0.04 0.00 0.00 63.50 59.85 1fo5 n PRO 14 Cb 0.67 -3.04 -0.07 0.00 -0.04 0.00 0.00 33.50 31.02 1fo5 n PRO 14 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fo5 s HIS 15 N 1.32 1.54 0.30 0.54 3.76 -1.26 -4.92 115.29 116.57 1fo5 s HIS 15 Ca 0.42 1.28 0.09 0.00 -0.15 0.00 0.00 55.06 56.70 1fo5 s HIS 15 Cb 0.11 -3.74 -0.04 0.00 1.11 0.00 0.00 32.58 30.02 1fo5 s HIS 15 CO -0.03 -1.42 0.09 0.00 -0.85 0.00 0.00 174.74 172.52 1fo5 s PRO 17 N -3.77 2.75 0.00 0.00 0.04 -1.26 -4.87 135.00 127.89 1fo5 s PRO 17 Ca 0.34 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1fo5 s PRO 17 Cb -0.05 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1fo5 s PRO 17 CO 0.22 -2.54 0.00 0.00 0.04 0.00 0.00 177.00 174.72 1fo5 n ALA 18 N 13.12 0.00 -0.33 8.56 0.00 -1.26 -3.01 120.51 137.58 1fo5 n ALA 18 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1fo5 n ALA 18 Cb 0.49 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.24 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 1.55 -0.70 0.00 0.00 -1.95 -0.38 119.26 115.78 1fo5 h ALA 19 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1fo5 h ALA 19 Cb 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 1fo5 h ALA 19 CO 0.00 -0.10 0.26 0.87 0.00 0.00 0.00 179.25 180.28 1fo5 h LYS 20 N 0.68 0.41 -0.31 0.00 1.79 -1.94 0.27 116.57 117.47 1fo5 h LYS 20 Ca 0.55 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.91 1fo5 h LYS 20 Cb 0.87 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1fo5 h LYS 20 CO -0.40 0.27 -0.15 0.00 -1.08 0.00 0.00 179.45 178.09 1fo5 h ARG 21 N 0.42 0.65 -0.12 3.15 3.08 -1.00 -1.71 114.38 118.85 1fo5 h ARG 21 Ca 0.37 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1fo5 h ARG 21 Cb 0.53 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1fo5 h ARG 21 CO -0.37 0.87 -0.34 0.28 -1.07 0.00 0.00 179.97 179.33 1fo5 h VAL 22 N 0.41 1.28 0.25 2.04 2.07 -0.48 0.21 116.25 122.03 1fo5 h VAL 22 Ca 0.07 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1fo5 h VAL 22 Cb 0.68 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1fo5 h VAL 22 CO 0.05 0.41 -0.40 0.58 0.02 0.00 0.00 177.57 178.23 1fo5 h VAL 23 N 0.21 0.00 -0.42 2.57 2.07 -0.51 -1.83 116.25 118.35 1fo5 h VAL 23 Ca 0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1fo5 h VAL 23 Cb 0.71 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1fo5 h VAL 23 CO 0.05 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.59 1fo5 h GLU 24 N -0.68 0.65 0.27 1.57 4.81 -0.42 0.22 114.58 121.00 1fo5 h GLU 24 Ca -0.03 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1fo5 h GLU 24 Cb 0.63 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1fo5 h GLU 24 CO -0.13 0.66 -0.13 1.49 -0.73 0.00 0.00 179.01 180.17 1fo5 h GLU 25 N 0.62 -0.35 -0.34 1.92 4.57 -0.62 -0.87 114.58 119.51 1fo5 h GLU 25 Ca 0.13 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 1fo5 h GLU 25 Cb 0.35 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1fo5 h GLU 25 CO 0.01 -0.14 -0.20 0.28 -1.18 0.00 0.00 179.01 177.78 1fo5 h VAL 26 N -0.48 1.26 0.00 0.32 2.07 -0.96 -2.75 116.25 115.71 1fo5 h VAL 26 Ca -0.04 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1fo5 h VAL 26 Cb 0.36 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1fo5 h VAL 26 CO 0.06 0.41 -0.09 0.00 0.02 0.00 0.00 177.57 177.97 1fo5 h ALA 27 N 1.21 1.37 -0.96 1.67 0.00 -0.32 0.34 119.26 122.57 1fo5 h ALA 27 Ca 0.09 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1fo5 h ALA 27 Cb 0.66 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1fo5 h ALA 27 CO 0.05 0.12 0.61 -0.91 0.00 0.00 0.00 179.25 179.11 1fo5 h ASN 28 N 0.00 0.65 0.00 0.00 2.35 -0.84 -3.00 115.58 114.74 1fo5 h ASN 28 Ca -0.00 0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 1fo5 h ASN 28 Cb 0.25 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1fo5 h ASN 28 CO 0.01 0.27 -1.44 1.21 -1.65 0.00 0.00 177.43 175.83 1fo5 n GLU 29 N -4.63 0.42 -3.81 0.81 0.00 0.07 -4.79 120.64 108.70 1fo5 n GLU 29 Ca 0.21 0.17 -0.30 0.00 0.00 0.00 0.00 57.16 57.24 1fo5 n GLU 29 Cb 0.59 -1.21 -0.10 0.00 0.00 0.00 0.00 31.44 30.71 1fo5 n GLU 29 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1fo5 n MET 30 N -4.07 2.09 0.00 5.31 2.81 0.98 -4.96 117.12 119.27 1fo5 n MET 30 Ca -0.25 -4.50 0.00 0.00 -1.81 0.00 0.00 57.70 51.13 1fo5 n MET 30 Cb 0.58 -2.32 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 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 1.97 0.48 0.14 0.03 -0.04 -1.13 -3.74 135.00 132.71 1fo5 n PRO 31 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1fo5 n PRO 31 Cb 0.36 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1fo5 n PRO 31 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1fo5 n ASP 32 N 0.59 -1.53 0.00 3.54 2.03 -1.26 -4.90 116.55 115.02 1fo5 n ASP 32 Ca 0.00 0.51 0.05 0.00 0.52 0.00 0.00 54.79 55.87 1fo5 n ASP 32 Cb 0.20 1.58 0.31 0.00 -0.72 0.00 0.00 41.12 42.49 1fo5 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fo5 n ALA 33 N -3.21 1.83 -2.60 -1.67 0.00 -1.25 -4.72 120.51 108.89 1fo5 n ALA 33 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1fo5 n ALA 33 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1fo5 n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fo5 s VAL 34 N -2.20 4.05 -0.19 0.00 0.11 -1.25 -0.19 120.40 120.73 1fo5 s VAL 34 Ca 0.14 -1.10 -0.17 0.00 -2.93 0.00 0.00 61.98 57.92 1fo5 s VAL 34 Cb 0.08 -5.06 -0.04 0.00 -1.53 0.00 0.00 36.38 29.83 1fo5 s VAL 34 CO 0.14 -1.92 0.46 -0.70 -3.33 0.00 0.00 175.10 169.75 1fo5 s GLU 35 N 4.57 4.21 -0.24 1.54 2.56 -0.63 -5.00 118.70 125.70 1fo5 s GLU 35 Ca 0.46 0.33 -0.03 0.00 0.00 0.00 0.00 54.97 55.73 1fo5 s GLU 35 Cb 0.00 -3.53 0.08 0.00 2.00 0.00 0.00 34.13 32.68 1fo5 s GLU 35 CO -0.06 -0.05 0.08 0.08 -0.56 0.00 0.00 175.26 174.75 1fo5 s VAL 36 N 1.32 0.36 -0.27 3.70 1.01 -1.25 -0.74 120.40 124.53 1fo5 s VAL 36 Ca 0.22 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1fo5 s VAL 36 Cb -0.15 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1fo5 s VAL 36 CO 0.09 -0.45 0.68 -1.61 0.00 0.00 0.00 175.10 173.81 1fo5 s GLU 37 N 1.91 4.07 -0.21 2.72 0.41 -0.67 -4.99 118.70 121.94 1fo5 s GLU 37 Ca 0.04 0.58 -0.22 0.00 -0.41 0.00 0.00 54.97 54.97 1fo5 s GLU 37 Cb -0.17 -3.67 -0.02 0.00 -1.78 0.00 0.00 34.13 28.49 1fo5 s GLU 37 CO -0.19 -0.48 0.68 -0.47 -0.49 0.00 0.00 175.26 174.31 1fo5 s TYR 38 N 2.63 3.35 -0.31 1.61 5.04 -1.26 -0.90 117.35 127.51 1fo5 s TYR 38 Ca 0.28 0.98 -0.02 0.00 -2.44 0.00 0.00 57.07 55.86 1fo5 s TYR 38 Cb -0.15 -2.87 0.10 0.00 0.35 0.00 0.00 41.96 39.39 1fo5 s TYR 38 CO 0.09 -0.24 0.13 0.96 -1.34 0.00 0.00 175.55 175.15 1fo5 s ILE 39 N 2.18 0.34 0.53 3.14 -0.00 -0.58 -4.96 121.20 121.85 1fo5 s ILE 39 Ca 0.30 -1.13 -0.20 0.00 -0.00 0.00 0.00 60.65 59.62 1fo5 s ILE 39 Cb -0.16 -1.28 -0.06 0.00 -0.00 0.00 0.00 42.46 40.97 1fo5 s ILE 39 CO 0.10 -0.74 1.15 0.54 -0.00 0.00 0.00 174.94 175.99 1fo5 s ASN 40 N 1.78 5.75 -0.05 4.36 4.22 -1.26 -2.96 114.94 126.79 1fo5 s ASN 40 Ca 0.10 2.23 -0.35 0.00 -2.14 0.00 0.00 52.86 52.70 1fo5 s ASN 40 Cb -0.17 -2.59 -0.13 0.00 1.28 0.00 0.00 41.25 39.64 1fo5 s ASN 40 CO -0.28 -1.20 1.74 0.52 -2.04 0.00 0.00 177.10 175.83 1fo5 n VAL 41 N -1.17 0.34 0.00 3.54 0.31 0.33 -4.54 118.33 117.15 1fo5 n VAL 41 Ca 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1fo5 n VAL 41 Cb 0.50 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1fo5 n VAL 41 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1fo5 n MET 42 N 5.29 0.00 -0.09 5.55 0.00 -1.26 -4.94 117.12 121.68 1fo5 n MET 42 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.89 1fo5 n MET 42 Cb 0.26 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.68 1fo5 n MET 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1fo5 h GLU 43 N 0.00 0.74 -5.69 2.12 4.81 -2.01 -3.48 114.58 111.07 1fo5 h GLU 43 Ca 0.00 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.93 1fo5 h GLU 43 Cb 0.00 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.29 1fo5 h GLU 43 CO 0.00 0.72 -0.68 0.09 -0.73 0.00 0.00 179.01 178.41 1fo5 n ASN 44 N -4.25 -7.17 -4.78 1.04 4.13 -1.26 -5.01 115.26 97.95 1fo5 n ASN 44 Ca 0.03 0.25 -0.32 0.00 1.68 0.00 0.00 54.58 56.22 1fo5 n ASN 44 Cb 0.26 -4.24 0.05 0.00 -1.54 0.00 0.00 39.78 34.32 1fo5 n ASN 44 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1fo5 s PRO 45 N -2.68 2.76 0.60 3.52 0.04 -1.26 -4.95 135.00 133.03 1fo5 s PRO 45 Ca 0.26 1.22 0.38 0.00 0.04 0.00 0.00 61.00 62.90 1fo5 s PRO 45 Cb -0.05 -1.96 1.84 0.00 0.04 0.00 0.00 34.50 34.37 1fo5 s PRO 45 CO 0.80 -1.26 2.16 1.96 0.04 0.00 0.00 177.00 180.71 1fo5 h GLN 46 N -0.36 0.00 -0.68 4.56 1.08 -1.96 -3.28 115.11 114.47 1fo5 h GLN 46 Ca -0.45 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 56.91 1fo5 h GLN 46 Cb 1.23 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.62 1fo5 h GLN 46 CO 0.54 0.01 0.47 1.57 -0.95 0.00 0.00 178.83 180.47 1fo5 h LYS 47 N 0.00 0.20 0.10 1.46 5.09 -2.01 0.23 116.57 121.64 1fo5 h LYS 47 Ca -0.00 -0.01 -0.36 0.00 0.09 0.00 0.00 60.65 60.37 1fo5 h LYS 47 Cb 0.28 -0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.54 1fo5 h LYS 47 CO 0.00 0.13 -2.01 0.00 -2.09 0.00 0.00 179.45 175.48 1fo5 n ALA 48 N -2.59 0.95 0.30 0.07 0.00 -1.24 -4.59 120.51 113.41 1fo5 n ALA 48 Ca 0.13 -0.65 0.08 0.00 0.00 0.00 0.00 53.44 53.00 1fo5 n ALA 48 Cb 0.61 -0.60 0.35 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.53 0.08 0.29 0.00 2.81 0.06 -1.14 117.12 115.69 1fo5 n MET 49 Ca -0.34 0.43 0.18 0.00 -1.81 0.00 0.00 57.70 56.16 1fo5 n MET 49 Cb 1.02 -1.70 0.85 0.00 -0.71 0.00 0.00 33.22 32.68 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 -7.60 0.03 4.11 -0.90 -3.45 114.58 106.77 1fo5 h GLU 50 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.97 1fo5 h GLU 50 Cb 0.19 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.57 1fo5 h GLU 50 CO 0.00 0.02 0.35 0.71 0.07 0.00 0.00 179.01 180.17 1fo5 s TYR 51 N -3.88 2.35 -0.02 2.06 2.02 -0.29 -5.05 117.35 114.54 1fo5 s TYR 51 Ca -0.01 0.69 -0.00 0.00 -0.37 0.00 0.00 57.07 57.37 1fo5 s TYR 51 Cb 0.11 -3.58 -0.00 0.00 -0.40 0.00 0.00 41.96 38.09 1fo5 s TYR 51 CO 0.51 -2.32 0.03 0.78 -1.57 0.00 0.00 175.55 172.98 1fo5 h GLY 52 N -1.45 -0.01 -7.05 0.71 0.00 -1.87 -3.39 103.07 90.02 1fo5 h GLY 52 Ca -0.47 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.11 1fo5 h GLY 52 CO 0.57 -0.00 1.66 4.51 0.00 0.00 0.00 176.54 183.28 1fo5 n ILE 53 N -2.62 4.34 0.74 2.60 3.06 -1.26 -4.73 119.36 121.49 1fo5 n ILE 53 Ca -0.00 -4.61 0.11 0.00 -2.50 0.00 0.00 62.75 55.74 1fo5 n ILE 53 Cb 0.00 -2.40 0.12 0.00 0.54 0.00 0.00 39.64 37.90 1fo5 n ILE 53 CO 0.00 0.00 0.00 1.15 -2.50 0.00 0.00 176.55 175.20 1fo5 n MET 54 N 4.55 2.08 0.00 9.51 0.00 -1.26 -4.82 117.12 127.18 1fo5 n MET 54 Ca 0.38 -1.88 0.00 0.00 0.00 0.00 0.00 57.70 56.20 1fo5 n MET 54 Cb 0.39 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 32.19 1fo5 n MET 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1fo5 n ALA 55 N 1.24 0.00 -3.64 3.17 0.00 -1.26 -4.76 120.51 115.26 1fo5 n ALA 55 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 1fo5 n ALA 55 Cb 0.54 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 1fo5 n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fo5 s VAL 56 N -0.82 0.00 -0.83 0.00 0.11 -1.26 -4.50 120.40 113.10 1fo5 s VAL 56 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1fo5 s VAL 56 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1fo5 s VAL 56 CO 0.00 0.00 1.69 -2.16 -3.33 0.00 0.00 175.10 171.30 1fo5 s PRO 57 N -1.32 2.93 -0.43 1.54 0.04 -1.26 -5.07 135.00 131.43 1fo5 s PRO 57 Ca 0.09 -0.24 -0.28 0.00 0.04 0.00 0.00 61.00 60.60 1fo5 s PRO 57 Cb -0.01 -4.80 -0.00 0.00 0.04 0.00 0.00 34.50 29.73 1fo5 s PRO 57 CO -0.06 -2.73 1.57 0.99 0.04 0.00 0.00 177.00 176.81 1fo5 s THR 58 N 7.88 3.70 0.19 1.26 2.01 -0.01 -4.47 115.64 126.21 1fo5 s THR 58 Ca 0.58 0.68 0.08 0.00 0.31 0.00 0.00 61.69 63.34 1fo5 s THR 58 Cb -0.07 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1fo5 s THR 58 CO 0.05 -0.73 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.57 1fo5 s ILE 59 N 6.31 3.42 0.01 1.82 -1.09 -0.53 -0.57 121.20 130.57 1fo5 s ILE 59 Ca 0.66 -1.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.51 1fo5 s ILE 59 Cb -0.16 -2.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 1fo5 s ILE 59 CO 0.31 -0.15 -0.12 0.68 -1.23 0.00 0.00 174.94 174.43 1fo5 s VAL 60 N -1.80 0.97 0.00 2.92 -7.23 0.16 -0.62 120.40 114.80 1fo5 s VAL 60 Ca 0.27 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1fo5 s VAL 60 Cb -0.09 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1fo5 s VAL 60 CO 0.17 0.13 0.00 2.30 -0.31 0.00 0.00 175.10 177.39 1fo5 n ILE 61 N 2.37 0.00 -0.15 -0.62 -5.35 -0.45 -1.73 119.36 113.43 1fo5 n ILE 61 Ca -0.16 0.00 0.18 0.00 -0.27 0.00 0.00 62.75 62.51 1fo5 n ILE 61 Cb 0.55 0.00 0.56 0.00 -1.74 0.00 0.00 39.64 39.02 1fo5 n ILE 61 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1fo5 h ASN 62 N 0.00 0.28 0.00 7.28 -1.24 -1.91 -2.65 115.58 117.33 1fo5 h ASN 62 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1fo5 h ASN 62 Cb 0.00 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.02 1fo5 h ASN 62 CO 0.00 0.13 0.00 0.61 -1.29 0.00 0.00 177.43 176.88 1fo5 n GLY 63 N -1.56 0.00 3.79 1.57 0.00 -1.26 -1.70 105.19 106.02 1fo5 n GLY 63 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.35 5.16 -0.19 1.61 -1.08 -1.26 -4.89 116.67 115.68 1fo5 s ASP 64 Ca 0.00 1.81 0.00 0.00 -0.52 0.00 0.00 52.55 53.84 1fo5 s ASP 64 Cb 0.00 -2.52 0.01 0.00 -1.46 0.00 0.00 42.92 38.95 1fo5 s ASP 64 CO 0.00 -1.59 -0.17 0.68 0.52 0.00 0.00 175.17 174.62 1fo5 s VAL 65 N -2.71 2.37 0.12 1.11 -7.23 -1.26 -1.34 120.40 111.46 1fo5 s VAL 65 Ca 0.62 -0.84 -0.24 0.00 -1.81 0.00 0.00 61.98 59.71 1fo5 s VAL 65 Cb -0.17 -2.01 0.08 0.00 0.56 0.00 0.00 36.38 34.83 1fo5 s VAL 65 CO 0.48 0.51 0.66 -0.70 -0.31 0.00 0.00 175.10 175.74 1fo5 s GLU 66 N 1.28 1.19 -0.22 4.82 -6.30 0.21 -5.00 118.70 114.69 1fo5 s GLU 66 Ca 0.04 -0.41 -0.14 0.00 -2.50 0.00 0.00 54.97 51.96 1fo5 s GLU 66 Cb -0.14 0.55 0.07 0.00 0.00 0.00 0.00 34.13 34.61 1fo5 s GLU 66 CO -0.10 -0.51 0.55 -0.59 0.02 0.00 0.00 175.26 174.62 1fo5 s PHE 67 N -3.52 -0.77 -0.09 5.30 -0.71 -1.26 -1.45 117.98 115.48 1fo5 s PHE 67 Ca 0.01 1.64 -0.02 0.00 -1.04 0.00 0.00 56.93 57.53 1fo5 s PHE 67 Cb -0.01 0.38 0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1fo5 s PHE 67 CO -0.11 -0.40 0.00 0.42 -1.34 0.00 0.00 175.22 173.79 1fo5 s ILE 68 N 1.21 0.41 0.00 -4.49 -1.09 -1.26 -5.05 121.20 110.93 1fo5 s ILE 68 Ca -0.07 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 1fo5 s ILE 68 Cb -0.06 -0.61 0.00 0.00 -1.58 0.00 0.00 42.46 40.21 1fo5 s ILE 68 CO -0.12 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 1fo5 n GLY 69 N 5.13 -1.14 0.10 6.18 0.00 -1.26 -4.20 105.19 110.00 1fo5 n GLY 69 Ca -0.07 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.35 0.16 -3.00 4.61 0.00 -2.01 -3.46 119.26 115.22 1fo5 h ALA 70 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1fo5 h ALA 70 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fo5 h ALA 70 CO 0.00 1.04 0.00 -0.35 0.00 0.00 0.00 179.25 179.94 1fo5 n PRO 71 N -3.50 1.33 -0.13 0.00 -0.04 -1.26 -4.83 135.00 126.57 1fo5 n PRO 71 Ca -0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.31 1fo5 n PRO 71 Cb 1.02 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.53 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 -0.15 0.00 -0.82 0.52 -2.24 -1.26 -4.74 114.28 105.59 1fo5 n THR 72 Ca 0.00 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1fo5 n THR 72 Cb 0.00 -0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 67.39 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 -2.30 1.64 -0.33 -0.78 4.81 -1.26 -4.59 118.16 115.34 1fo5 n LYS 73 Ca 0.03 -0.78 0.08 0.00 -0.87 0.00 0.00 58.31 56.77 1fo5 n LYS 73 Cb 0.10 -1.85 0.25 0.00 0.02 0.00 0.00 35.03 33.56 1fo5 n LYS 73 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1fo5 h GLU 74 N 3.24 0.74 -0.30 1.64 4.81 -1.89 0.23 114.58 123.04 1fo5 h GLU 74 Ca 0.15 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1fo5 h GLU 74 Cb 1.26 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1fo5 h GLU 74 CO 0.24 0.49 -0.38 0.00 -0.73 0.00 0.00 179.01 178.64 1fo5 h ALA 75 N 1.57 0.45 0.00 2.92 0.00 -1.87 -1.81 119.26 120.51 1fo5 h ALA 75 Ca 0.50 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1fo5 h ALA 75 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1fo5 h ALA 75 CO -0.34 0.54 -0.50 1.25 0.00 0.00 0.00 179.25 180.20 1fo5 h LEU 76 N 0.54 0.00 -0.38 0.00 7.12 -1.54 -2.83 115.31 118.22 1fo5 h LEU 76 Ca 0.04 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.10 1fo5 h LEU 76 Cb 0.96 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.05 1fo5 h LEU 76 CO 0.09 0.50 0.08 0.58 -0.13 0.00 0.00 178.44 179.56 1fo5 h VAL 77 N 0.00 0.82 0.00 1.05 2.07 -0.58 0.69 116.25 120.30 1fo5 h VAL 77 Ca -0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1fo5 h VAL 77 Cb 1.25 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1fo5 h VAL 77 CO 0.07 0.04 0.00 1.21 0.02 0.00 0.00 177.57 178.90 1fo5 n GLU 78 N -5.09 0.03 -0.13 1.57 2.13 -0.69 -1.63 120.64 116.85 1fo5 n GLU 78 Ca 0.02 0.33 -0.26 0.00 0.66 0.00 0.00 57.16 57.92 1fo5 n GLU 78 Cb 0.17 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.29 1fo5 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fo5 n ALA 79 N -1.41 1.24 0.31 4.31 0.00 -0.26 -4.40 120.51 120.30 1fo5 n ALA 79 Ca 0.02 -1.02 0.18 0.00 0.00 0.00 0.00 53.44 52.63 1fo5 n ALA 79 Cb 0.06 0.14 1.03 0.00 0.00 0.00 0.00 19.45 20.68 1fo5 n ALA 79 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1fo5 h ILE 80 N -0.95 0.30 -0.20 0.00 3.07 -0.78 0.49 117.51 119.43 1fo5 h ILE 80 Ca -0.58 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 65.81 1fo5 h ILE 80 Cb 1.50 0.98 -0.01 0.00 -0.27 0.00 0.00 36.82 39.01 1fo5 h ILE 80 CO -0.35 0.00 0.00 0.07 -1.05 0.00 0.00 178.15 176.82 1fo5 h LYS 81 N 0.00 0.29 0.09 0.16 2.10 -1.52 -3.24 116.57 114.45 1fo5 h LYS 81 Ca 0.01 -0.04 -0.35 0.00 -2.00 0.00 0.00 60.65 58.27 1fo5 h LYS 81 Cb 0.06 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 1fo5 h LYS 81 CO -0.00 0.32 -1.92 0.36 -2.00 0.00 0.00 179.45 176.21 1fo5 n LYS 82 N -4.37 0.71 -0.25 0.07 -0.00 0.01 -4.57 118.16 109.76 1fo5 n LYS 82 Ca -0.00 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1fo5 n LYS 82 Cb 0.18 -1.69 0.00 0.00 -0.00 0.00 0.00 35.03 33.52 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 -3.67 -1.18 0.00 -1.58 1.74 -0.30 -5.08 116.66 106.58 1fo5 n ARG 83 Ca -0.34 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 56.75 1fo5 n ARG 83 Cb 0.97 -2.16 0.08 0.00 -1.02 0.00 0.00 32.46 30.32 1fo5 n ARG 83 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58