#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fo5 n SER 1 N 0.00 0.00 -0.70 7.83 3.41 -1.26 -5.11 113.62 117.79 1fo5 n SER 1 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1fo5 n SER 1 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1fo5 n SER 1 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1fo5 n LYS 2 N 0.00 0.00 -2.50 4.33 4.81 -1.26 -4.81 118.16 118.74 1fo5 n LYS 2 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1fo5 n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1fo5 n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1fo5 s VAL 3 N 0.00 3.84 -0.15 3.15 0.11 -0.29 -4.79 120.40 122.27 1fo5 s VAL 3 Ca 0.00 1.11 -0.10 0.00 -2.93 0.00 0.00 61.98 60.06 1fo5 s VAL 3 Cb 0.00 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.35 1fo5 s VAL 3 CO 0.00 -0.29 0.19 -0.54 -3.33 0.00 0.00 175.10 171.13 1fo5 s LYS 4 N -3.35 3.92 0.04 1.54 3.01 -0.48 -1.61 119.74 122.81 1fo5 s LYS 4 Ca 0.66 -0.08 0.02 0.00 -1.01 0.00 0.00 55.97 55.57 1fo5 s LYS 4 Cb -0.16 -3.33 -0.02 0.00 -1.01 0.00 0.00 37.83 33.31 1fo5 s LYS 4 CO 0.22 0.49 -0.08 0.42 0.51 0.00 0.00 175.35 176.90 1fo5 s ILE 5 N -0.21 0.55 0.02 2.17 1.09 -0.29 -1.99 121.20 122.53 1fo5 s ILE 5 Ca 0.13 -1.05 0.01 0.00 -1.10 0.00 0.00 60.65 58.64 1fo5 s ILE 5 Cb -0.12 -0.61 -0.01 0.00 -1.06 0.00 0.00 42.46 40.66 1fo5 s ILE 5 CO 0.02 -0.36 -0.04 -1.61 -0.10 0.00 0.00 174.94 172.85 1fo5 s GLU 6 N -1.53 0.33 -0.36 2.79 2.02 -0.58 -1.64 118.70 119.73 1fo5 s GLU 6 Ca -0.09 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1fo5 s GLU 6 Cb -0.10 -0.12 0.11 0.00 0.10 0.00 0.00 34.13 34.13 1fo5 s GLU 6 CO 0.00 0.02 0.14 -1.17 0.02 0.00 0.00 175.26 174.27 1fo5 s LEU 7 N -0.97 2.75 -0.56 1.80 1.98 0.26 -0.74 118.68 123.20 1fo5 s LEU 7 Ca -0.08 -2.04 0.04 0.00 -2.89 0.00 0.00 54.13 49.16 1fo5 s LEU 7 Cb -0.07 -1.03 0.14 0.00 0.66 0.00 0.00 46.19 45.90 1fo5 s LEU 7 CO -0.00 -0.36 0.33 0.12 -1.89 0.00 0.00 176.35 174.55 1fo5 s PHE 8 N 1.09 3.07 0.00 5.38 5.36 -0.04 -1.29 117.98 131.55 1fo5 s PHE 8 Ca 0.13 -3.10 0.00 0.00 -0.96 0.00 0.00 56.93 53.00 1fo5 s PHE 8 Cb -0.20 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 39.88 1fo5 s PHE 8 CO -0.14 -0.69 0.00 2.41 -1.46 0.00 0.00 175.22 175.34 1fo5 n THR 9 N 2.80 0.00 0.00 0.12 -1.04 -1.24 -1.35 114.28 113.57 1fo5 n THR 9 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1fo5 n THR 9 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1fo5 n THR 9 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1fo5 n SER 10 N 0.00 0.00 0.00 8.00 7.64 -1.26 -0.87 113.62 127.13 1fo5 n SER 10 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1fo5 n SER 10 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1fo5 n SER 10 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1fo5 n PRO 11 N 0.00 0.00 0.00 1.43 -0.04 -1.26 -4.62 135.00 130.51 1fo5 n PRO 11 Ca 0.00 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1fo5 n PRO 11 Cb 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1fo5 n PRO 11 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1fo5 n MET 12 N -1.94 0.00 0.11 0.54 1.56 -1.26 -5.05 117.12 111.09 1fo5 n MET 12 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.27 1fo5 n MET 12 Cb 0.00 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.28 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 -5.48 0.00 -3.61 0.00 -0.04 -1.26 -4.87 135.00 119.74 1fo5 n PRO 14 Ca -0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 1fo5 n PRO 14 Cb 0.40 -0.74 -0.01 0.00 -0.04 0.00 0.00 33.50 33.12 1fo5 n PRO 14 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1fo5 n HIS 15 N -0.47 -1.84 0.10 0.54 -0.00 -1.26 -4.26 115.22 108.04 1fo5 n HIS 15 Ca 0.00 0.59 0.00 0.00 0.46 0.00 0.00 57.72 58.77 1fo5 n HIS 15 Cb 0.00 -3.05 0.00 0.00 -0.12 0.00 0.00 29.99 26.82 1fo5 n HIS 15 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1fo5 n PRO 17 N -3.16 0.00 0.00 0.00 -0.04 -1.26 -4.62 135.00 125.92 1fo5 n PRO 17 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1fo5 n PRO 17 Cb 0.00 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -3.00 0.00 -0.03 0.55 0.00 -1.26 -0.58 120.51 116.19 1fo5 n ALA 18 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1fo5 n ALA 18 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.37 2.53 -0.69 0.00 0.00 -1.93 0.72 119.26 119.52 1fo5 h ALA 19 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1fo5 h ALA 19 Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1fo5 h ALA 19 CO 0.00 -0.76 0.42 0.87 0.00 0.00 0.00 179.25 179.78 1fo5 h LYS 20 N 0.00 0.79 -0.22 0.00 1.79 -1.10 0.31 116.57 118.14 1fo5 h LYS 20 Ca 0.29 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.57 1fo5 h LYS 20 Cb 1.19 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1fo5 h LYS 20 CO -0.00 0.53 -0.41 0.00 -1.08 0.00 0.00 179.45 178.49 1fo5 h ARG 21 N 0.82 0.67 -0.44 3.15 3.08 -1.10 -1.56 114.38 118.99 1fo5 h ARG 21 Ca 0.29 -0.42 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1fo5 h ARG 21 Cb 0.06 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1fo5 h ARG 21 CO -0.13 1.04 0.13 0.28 -1.07 0.00 0.00 179.97 180.23 1fo5 h VAL 22 N 0.37 1.22 -0.31 2.04 2.07 -1.01 0.39 116.25 121.03 1fo5 h VAL 22 Ca 0.01 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1fo5 h VAL 22 Cb 1.00 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1fo5 h VAL 22 CO 0.09 0.27 -0.12 1.62 0.02 0.00 0.00 177.57 179.45 1fo5 h VAL 23 N 0.58 1.23 0.12 2.57 3.04 -0.42 0.12 116.25 123.49 1fo5 h VAL 23 Ca 0.14 -1.03 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 1fo5 h VAL 23 Cb 0.28 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1fo5 h VAL 23 CO -0.00 0.34 -0.06 -0.08 -1.01 0.00 0.00 177.57 176.76 1fo5 h GLU 24 N 0.49 -0.15 0.13 4.17 4.81 -0.94 0.08 114.58 123.18 1fo5 h GLU 24 Ca 0.09 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1fo5 h GLU 24 Cb 0.50 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1fo5 h GLU 24 CO 0.03 -0.06 -0.44 1.49 -0.73 0.00 0.00 179.01 179.30 1fo5 h GLU 25 N -0.20 -0.63 -0.52 1.92 4.22 -0.50 -1.01 114.58 117.86 1fo5 h GLU 25 Ca -0.02 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.48 1fo5 h GLU 25 Cb 0.16 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1fo5 h GLU 25 CO 0.03 -0.42 0.33 0.28 -2.18 0.00 0.00 179.01 177.05 1fo5 h VAL 26 N -0.65 1.10 0.00 0.32 2.07 -0.98 -1.71 116.25 116.41 1fo5 h VAL 26 Ca -0.01 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1fo5 h VAL 26 Cb 0.64 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1fo5 h VAL 26 CO -0.22 0.12 -0.07 0.00 0.02 0.00 0.00 177.57 177.42 1fo5 h ALA 27 N 1.21 1.22 -0.61 1.67 0.00 -0.77 0.25 119.26 122.22 1fo5 h ALA 27 Ca 0.20 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1fo5 h ALA 27 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1fo5 h ALA 27 CO -0.06 0.09 0.40 -0.91 0.00 0.00 0.00 179.25 178.77 1fo5 h ASN 28 N 0.00 0.58 0.00 0.00 2.35 -0.21 -3.05 115.58 115.25 1fo5 h ASN 28 Ca -0.00 -0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.48 1fo5 h ASN 28 Cb 0.26 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 1fo5 h ASN 28 CO 0.01 0.39 -1.99 -0.62 -1.65 0.00 0.00 177.43 173.57 1fo5 n GLU 29 N -4.47 0.69 -3.77 0.81 -0.58 -0.25 -4.79 120.64 108.27 1fo5 n GLU 29 Ca 0.08 0.08 -0.28 0.00 -0.42 0.00 0.00 57.16 56.62 1fo5 n GLU 29 Cb 0.17 -1.35 -0.11 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.92 1.88 0.00 3.49 2.81 0.71 -4.98 117.12 118.11 1fo5 n MET 30 Ca -0.30 -4.45 0.00 0.00 -1.81 0.00 0.00 57.70 51.14 1fo5 n MET 30 Cb 0.85 -2.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 1.77 0.40 0.19 0.03 -0.04 -1.15 -3.71 135.00 132.49 1fo5 n PRO 31 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1fo5 n PRO 31 Cb 0.37 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.37 -2.49 -2.19 3.54 2.03 -1.26 -4.94 116.55 110.87 1fo5 n ASP 32 Ca 0.00 0.71 -0.10 0.00 0.52 0.00 0.00 54.79 55.92 1fo5 n ASP 32 Cb 0.02 2.41 -0.12 0.00 -0.72 0.00 0.00 41.12 42.71 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 -3.43 5.07 -3.77 -1.67 0.00 -1.24 -4.79 120.51 110.68 1fo5 n ALA 33 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 53.44 51.70 1fo5 n ALA 33 Cb 0.00 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 16.96 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 1.59 1.55 -1.05 0.00 0.11 -1.26 -1.14 120.40 120.20 1fo5 s VAL 34 Ca 0.50 -2.45 -0.04 0.00 -2.93 0.00 0.00 61.98 57.05 1fo5 s VAL 34 Cb 0.23 -2.10 0.29 0.00 -1.53 0.00 0.00 36.38 33.28 1fo5 s VAL 34 CO -0.00 -0.82 1.31 -0.62 -3.33 0.00 0.00 175.10 171.64 1fo5 n GLU 35 N 3.75 4.04 -2.48 1.54 -0.58 -0.64 -4.98 120.64 121.29 1fo5 n GLU 35 Ca 0.06 -4.54 -0.43 0.00 -0.42 0.00 0.00 57.16 51.83 1fo5 n GLU 35 Cb 0.36 -2.50 -0.02 0.00 -0.57 0.00 0.00 31.44 28.71 1fo5 n GLU 35 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1fo5 s VAL 36 N -2.37 4.11 -0.29 2.62 1.01 -1.26 -1.14 120.40 123.08 1fo5 s VAL 36 Ca 0.31 1.17 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 1fo5 s VAL 36 Cb 0.02 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1fo5 s VAL 36 CO 0.04 -0.78 0.88 -0.70 0.00 0.00 0.00 175.10 174.55 1fo5 s GLU 37 N 4.51 4.05 -0.18 2.72 2.56 -0.65 -4.99 118.70 126.72 1fo5 s GLU 37 Ca 0.54 0.82 -0.25 0.00 0.00 0.00 0.00 54.97 56.08 1fo5 s GLU 37 Cb -0.12 -3.71 -0.02 0.00 2.00 0.00 0.00 34.13 32.29 1fo5 s GLU 37 CO 0.29 -0.69 0.80 -0.47 -0.56 0.00 0.00 175.26 174.63 1fo5 s TYR 38 N 3.10 3.40 -0.36 5.30 5.04 -1.26 -0.58 117.35 131.99 1fo5 s TYR 38 Ca 0.36 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 56.20 1fo5 s TYR 38 Cb -0.14 -2.98 0.11 0.00 0.35 0.00 0.00 41.96 39.30 1fo5 s TYR 38 CO 0.12 -0.24 0.15 0.96 -1.34 0.00 0.00 175.55 175.19 1fo5 s ILE 39 N 2.16 1.25 0.79 3.14 -0.00 -0.41 -4.95 121.20 123.19 1fo5 s ILE 39 Ca 0.37 -1.95 -0.14 0.00 -0.00 0.00 0.00 60.65 58.92 1fo5 s ILE 39 Cb -0.16 -1.91 0.07 0.00 -0.00 0.00 0.00 42.46 40.45 1fo5 s ILE 39 CO 0.12 -0.75 1.19 -0.46 -0.00 0.00 0.00 174.94 175.03 1fo5 n ASN 40 N 4.28 1.06 -4.45 4.36 0.23 -1.26 -3.67 115.26 115.80 1fo5 n ASN 40 Ca 0.03 0.61 -0.38 0.00 -0.53 0.00 0.00 54.58 54.31 1fo5 n ASN 40 Cb 0.39 -1.50 0.04 0.00 -2.08 0.00 0.00 39.78 36.63 1fo5 n ASN 40 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1fo5 n VAL 41 N -3.13 2.04 -2.84 3.53 3.14 -0.04 -4.74 118.33 116.28 1fo5 n VAL 41 Ca 0.14 -0.48 0.04 0.00 -2.96 0.00 0.00 64.34 61.08 1fo5 n VAL 41 Cb 0.50 -0.65 -0.01 0.00 -1.06 0.00 0.00 33.84 32.62 1fo5 n VAL 41 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1fo5 n MET 42 N -0.06 -0.63 0.00 1.45 0.00 -1.26 -4.84 117.12 111.78 1fo5 n MET 42 Ca 0.11 0.42 0.00 0.00 0.00 0.00 0.00 57.70 58.22 1fo5 n MET 42 Cb 0.48 -0.77 0.00 0.00 0.00 0.00 0.00 33.22 32.93 1fo5 n MET 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1fo5 n GLU 43 N -1.97 0.00 -2.20 3.17 2.13 -1.26 -4.93 120.64 115.58 1fo5 n GLU 43 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 1fo5 n GLU 43 Cb 0.14 -3.14 0.01 0.00 0.27 0.00 0.00 31.44 28.72 1fo5 n GLU 43 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1fo5 s ASN 44 N -1.31 5.63 0.98 4.31 4.22 -1.26 -5.07 114.94 122.43 1fo5 s ASN 44 Ca 0.00 2.24 -0.15 0.00 -2.14 0.00 0.00 52.86 52.81 1fo5 s ASN 44 Cb 0.00 -2.59 0.18 0.00 1.28 0.00 0.00 41.25 40.13 1fo5 s ASN 44 CO 0.00 -1.29 1.20 -2.16 -2.04 0.00 0.00 177.10 172.82 1fo5 s PRO 45 N -3.25 0.56 0.00 3.55 0.04 -1.26 -4.94 135.00 129.69 1fo5 s PRO 45 Ca 0.73 -0.05 0.13 0.00 0.04 0.00 0.00 61.00 61.85 1fo5 s PRO 45 Cb -0.26 -1.80 0.79 0.00 0.04 0.00 0.00 34.50 33.27 1fo5 s PRO 45 CO 0.29 -2.53 1.21 1.04 0.04 0.00 0.00 177.00 177.06 1fo5 n GLN 46 N -3.93 0.43 -0.31 4.56 1.13 -1.26 -4.12 117.38 113.88 1fo5 n GLN 46 Ca 0.11 0.00 0.35 0.00 -1.94 0.00 0.00 57.00 55.52 1fo5 n GLN 46 Cb 0.60 -1.48 0.75 0.00 0.11 0.00 0.00 30.24 30.22 1fo5 n GLN 46 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1fo5 h LYS 47 N 0.00 0.00 0.00 -1.09 -0.00 -2.00 0.37 116.57 113.84 1fo5 h LYS 47 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.46 1fo5 h LYS 47 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.20 1fo5 h LYS 47 CO 0.00 0.00 -1.19 0.00 -0.00 0.00 0.00 179.45 178.26 1fo5 n ALA 48 N -2.75 0.74 0.42 0.07 0.00 -1.26 -4.56 120.51 113.17 1fo5 n ALA 48 Ca 0.25 -0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.19 1fo5 n ALA 48 Cb 1.25 -0.30 0.24 0.00 0.00 0.00 0.00 19.45 20.63 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 -4.46 0.08 0.21 0.00 2.81 -0.40 -0.62 117.12 114.73 1fo5 n MET 49 Ca -0.27 0.25 0.09 0.00 -1.81 0.00 0.00 57.70 55.96 1fo5 n MET 49 Cb 0.59 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.92 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 -7.19 0.03 4.11 -1.23 -3.47 114.58 106.83 1fo5 h GLU 50 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 1fo5 h GLU 50 Cb 0.13 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.52 1fo5 h GLU 50 CO 0.00 0.22 0.38 0.71 0.07 0.00 0.00 179.01 180.39 1fo5 s TYR 51 N -3.40 2.23 -0.13 2.06 2.02 0.21 -4.93 117.35 115.40 1fo5 s TYR 51 Ca 0.03 1.59 0.30 0.00 -0.37 0.00 0.00 57.07 58.62 1fo5 s TYR 51 Cb 0.08 -3.36 1.19 0.00 -0.40 0.00 0.00 41.96 39.47 1fo5 s TYR 51 CO 0.66 -2.30 1.88 0.78 -1.57 0.00 0.00 175.55 175.00 1fo5 h GLY 52 N -0.24 0.00 -6.80 0.71 0.00 -1.91 -3.34 103.07 91.49 1fo5 h GLY 52 Ca -0.47 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.15 1fo5 h GLY 52 CO 0.51 0.00 0.03 4.51 0.00 0.00 0.00 176.54 181.59 1fo5 n ILE 53 N -2.79 3.58 0.69 2.60 3.06 -1.26 -4.87 119.36 120.37 1fo5 n ILE 53 Ca 0.01 -5.43 0.00 0.00 -2.50 0.00 0.00 62.75 54.84 1fo5 n ILE 53 Cb 0.29 -2.19 0.00 0.00 0.54 0.00 0.00 39.64 38.29 1fo5 n ILE 53 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28 1fo5 n MET 54 N 1.48 0.69 -0.20 9.51 2.81 -1.25 -4.61 117.12 125.55 1fo5 n MET 54 Ca 0.26 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1fo5 n MET 54 Cb 0.37 -1.25 0.10 0.00 -0.71 0.00 0.00 33.22 31.73 1fo5 n MET 54 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fo5 h ALA 55 N 1.84 0.77 -2.65 3.04 0.00 -1.95 -3.49 119.26 116.82 1fo5 h ALA 55 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fo5 h ALA 55 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1fo5 h ALA 55 CO 0.00 -0.19 -0.63 0.28 0.00 0.00 0.00 179.25 178.71 1fo5 n VAL 56 N -4.99 -4.08 -1.97 0.00 0.31 -1.26 -4.94 118.33 101.39 1fo5 n VAL 56 Ca 0.08 1.72 -0.42 0.00 -0.01 0.00 0.00 64.34 65.71 1fo5 n VAL 56 Cb 0.26 -2.50 -0.03 0.00 -0.91 0.00 0.00 33.84 30.66 1fo5 n VAL 56 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1fo5 s PRO 57 N -3.37 4.19 -0.56 5.55 0.04 -1.26 -5.01 135.00 134.57 1fo5 s PRO 57 Ca 0.00 2.24 -0.26 0.00 0.04 0.00 0.00 61.00 63.02 1fo5 s PRO 57 Cb 0.00 -3.90 0.04 0.00 0.04 0.00 0.00 34.50 30.67 1fo5 s PRO 57 CO 0.00 -0.82 1.05 0.99 0.04 0.00 0.00 177.00 178.26 1fo5 s THR 58 N 3.71 4.23 0.27 1.26 2.01 -0.46 -4.24 115.64 122.41 1fo5 s THR 58 Ca 0.74 0.57 0.11 0.00 0.31 0.00 0.00 61.69 63.42 1fo5 s THR 58 Cb -0.35 -4.62 -0.05 0.00 0.01 0.00 0.00 72.50 67.49 1fo5 s THR 58 CO 0.31 -1.21 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.28 1fo5 s ILE 59 N 4.39 2.88 -0.05 1.82 -1.09 -0.51 -0.86 121.20 127.77 1fo5 s ILE 59 Ca 0.36 -2.17 0.01 0.00 -2.23 0.00 0.00 60.65 56.62 1fo5 s ILE 59 Cb -0.10 -2.51 0.02 0.00 -1.58 0.00 0.00 42.46 38.28 1fo5 s ILE 59 CO 0.22 -0.37 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.82 1fo5 s VAL 60 N -2.37 0.61 0.19 2.92 1.01 0.08 -0.73 120.40 122.11 1fo5 s VAL 60 Ca 0.30 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.22 1fo5 s VAL 60 Cb -0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1fo5 s VAL 60 CO 0.17 0.25 -0.19 0.27 0.00 0.00 0.00 175.10 175.59 1fo5 s ILE 61 N 0.98 1.99 0.00 2.22 -5.25 -0.59 -1.52 121.20 119.02 1fo5 s ILE 61 Ca -0.10 -2.03 0.00 0.00 -0.99 0.00 0.00 60.65 57.53 1fo5 s ILE 61 Cb -0.14 -1.97 0.00 0.00 2.95 0.00 0.00 42.46 43.30 1fo5 s ILE 61 CO -0.00 -0.32 0.00 0.59 -1.79 0.00 0.00 174.94 173.42 1fo5 n ASN 62 N 0.11 0.00 0.00 4.36 4.13 -0.84 -0.22 115.26 122.79 1fo5 n ASN 62 Ca -0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1fo5 n ASN 62 Cb 0.58 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1fo5 n ASN 62 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fo5 n GLY 63 N 0.00 1.00 3.67 7.41 0.00 -1.24 -1.38 105.19 114.65 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 0.99 0.00 0.00 0.00 173.32 174.31 1fo5 s ASP 64 N 0.00 6.65 0.30 1.61 1.01 0.69 -5.01 116.67 121.92 1fo5 s ASP 64 Ca 0.00 0.78 -0.29 0.00 0.71 0.00 0.00 52.55 53.75 1fo5 s ASP 64 Cb 0.00 -2.32 -0.10 0.00 1.01 0.00 0.00 42.92 41.52 1fo5 s ASP 64 CO 0.00 -0.17 1.16 -0.69 0.21 0.00 0.00 175.17 175.68 1fo5 s VAL 65 N 1.50 3.25 -0.14 -1.27 1.01 -1.26 -1.55 120.40 121.93 1fo5 s VAL 65 Ca 0.27 1.25 -0.34 0.00 0.00 0.00 0.00 61.98 63.15 1fo5 s VAL 65 Cb -0.16 -3.79 0.15 0.00 0.00 0.00 0.00 36.38 32.58 1fo5 s VAL 65 CO 0.10 0.29 1.38 -0.70 0.00 0.00 0.00 175.10 176.18 1fo5 s GLU 66 N -1.60 0.11 0.13 2.72 2.56 0.09 -4.96 118.70 117.75 1fo5 s GLU 66 Ca 0.46 -0.05 0.08 0.00 0.00 0.00 0.00 54.97 55.46 1fo5 s GLU 66 Cb -0.34 0.04 -0.04 0.00 2.00 0.00 0.00 34.13 35.79 1fo5 s GLU 66 CO 0.44 -0.05 -0.18 -0.59 -0.56 0.00 0.00 175.26 174.32 1fo5 s PHE 67 N -2.12 1.70 -0.56 5.30 -0.71 -1.26 -1.42 117.98 118.90 1fo5 s PHE 67 Ca 0.14 -0.46 0.05 0.00 -1.04 0.00 0.00 56.93 55.61 1fo5 s PHE 67 Cb 0.04 -0.89 0.18 0.00 -1.21 0.00 0.00 43.02 41.14 1fo5 s PHE 67 CO -0.05 0.23 0.44 -0.89 -1.34 0.00 0.00 175.22 173.61 1fo5 n ILE 68 N 0.69 0.29 -2.75 -4.49 2.08 -1.25 -5.00 119.36 108.93 1fo5 n ILE 68 Ca -0.16 -4.20 0.00 0.00 0.56 0.00 0.00 62.75 58.95 1fo5 n ILE 68 Cb 0.56 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.51 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 2.28 -1.78 0.23 7.39 0.00 -1.26 -4.27 105.19 107.77 1fo5 n GLY 69 Ca 0.25 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 1.29 -3.00 4.61 0.00 -1.99 -3.41 119.26 116.77 1fo5 h ALA 70 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1fo5 h ALA 70 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fo5 h ALA 70 CO 0.00 0.26 0.00 -0.35 0.00 0.00 0.00 179.25 179.16 1fo5 n PRO 71 N -3.76 0.56 0.00 0.00 -0.04 -1.26 -4.93 135.00 125.58 1fo5 n PRO 71 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1fo5 n PRO 71 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 -0.84 0.00 0.33 0.52 -2.24 -1.26 -4.74 114.28 106.04 1fo5 n THR 72 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1fo5 n THR 72 Cb 0.00 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.95 0.28 -0.78 3.00 -1.26 -3.90 118.16 116.45 1fo5 n LYS 73 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1fo5 n LYS 73 Cb 0.00 -1.02 0.81 0.00 0.00 0.00 0.00 35.03 34.82 1fo5 n LYS 73 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1fo5 h GLU 74 N 0.55 0.00 -0.47 1.64 5.08 -1.89 0.12 114.58 119.61 1fo5 h GLU 74 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1fo5 h GLU 74 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1fo5 h GLU 74 CO 0.00 0.06 -0.01 0.00 -1.00 0.00 0.00 179.01 178.06 1fo5 h ALA 75 N 1.94 0.64 0.04 3.43 0.00 -1.84 -1.91 119.26 121.57 1fo5 h ALA 75 Ca -0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 1fo5 h ALA 75 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fo5 h ALA 75 CO 0.01 0.45 -1.02 1.25 0.00 0.00 0.00 179.25 179.93 1fo5 h LEU 76 N 0.70 0.36 -0.59 0.00 7.12 -1.22 -2.86 115.31 118.81 1fo5 h LEU 76 Ca 0.13 -0.32 0.12 0.00 0.13 0.00 0.00 57.88 57.94 1fo5 h LEU 76 Cb 0.52 -0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 40.43 1fo5 h LEU 76 CO 0.03 1.18 -0.15 0.58 -0.13 0.00 0.00 178.44 179.94 1fo5 h VAL 77 N 0.12 0.41 0.00 1.05 2.07 -1.18 0.21 116.25 118.92 1fo5 h VAL 77 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1fo5 h VAL 77 Cb 1.70 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1fo5 h VAL 77 CO 0.16 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.96 1fo5 n GLU 78 N -5.41 0.03 -0.09 1.57 4.07 -0.72 -1.39 120.64 118.70 1fo5 n GLU 78 Ca 0.07 0.46 -0.17 0.00 -0.06 0.00 0.00 57.16 57.46 1fo5 n GLU 78 Cb 0.31 -1.58 -0.07 0.00 -0.06 0.00 0.00 31.44 30.04 1fo5 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1fo5 n ALA 79 N -1.55 1.79 0.07 4.31 0.00 -0.35 -4.36 120.51 120.42 1fo5 n ALA 79 Ca 0.01 -0.71 0.01 0.00 0.00 0.00 0.00 53.44 52.75 1fo5 n ALA 79 Cb 0.05 0.23 0.35 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.46 1.18 -0.12 0.00 3.07 -0.94 0.64 117.51 120.89 1fo5 h ILE 80 Ca -0.43 -0.78 0.03 0.00 1.55 0.00 0.00 64.86 65.24 1fo5 h ILE 80 Cb 1.44 1.09 -0.00 0.00 -0.27 0.00 0.00 36.82 39.08 1fo5 h ILE 80 CO -0.21 0.25 0.15 0.07 -1.05 0.00 0.00 178.15 177.36 1fo5 h LYS 81 N 0.35 0.00 0.00 0.16 2.10 -1.46 -3.08 116.57 114.63 1fo5 h LYS 81 Ca 0.07 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.62 1fo5 h LYS 81 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1fo5 h LYS 81 CO 0.02 0.00 -0.90 0.36 -2.00 0.00 0.00 179.45 176.93 1fo5 n LYS 82 N -3.70 0.50 0.00 0.07 -0.00 0.09 -4.71 118.16 110.41 1fo5 n LYS 82 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 1fo5 n LYS 82 Cb 0.26 -1.68 0.00 0.00 -0.00 0.00 0.00 35.03 33.61 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 -4.53 0.00 0.00 -1.58 1.74 -0.47 -5.09 116.66 106.73 1fo5 n ARG 83 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1fo5 n ARG 83 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1fo5 n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39