#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 -2.75 7.83 2.88 -1.26 -5.13 113.62 115.19 1fo5 n SER 1 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1fo5 n SER 1 Cb 0.00 0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.53 1fo5 n SER 1 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1fo5 n LYS 2 N -1.89 -3.35 -2.07 -1.46 4.81 -1.26 -4.96 118.16 107.97 1fo5 n LYS 2 Ca 0.00 2.70 -0.40 0.00 -0.87 0.00 0.00 58.31 59.74 1fo5 n LYS 2 Cb 0.00 -4.85 -0.01 0.00 0.02 0.00 0.00 35.03 30.19 1fo5 n LYS 2 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1fo5 s VAL 3 N -1.39 2.66 -0.15 3.15 1.01 -0.17 -4.87 120.40 120.64 1fo5 s VAL 3 Ca -0.05 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 1fo5 s VAL 3 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1fo5 s VAL 3 CO 0.70 0.10 0.22 -0.54 0.00 0.00 0.00 175.10 175.58 1fo5 s LYS 4 N -2.17 4.01 -0.47 2.72 3.01 0.28 -0.80 119.74 126.33 1fo5 s LYS 4 Ca 0.55 -0.01 0.04 0.00 -1.01 0.00 0.00 55.97 55.54 1fo5 s LYS 4 Cb -0.38 -3.35 0.16 0.00 -1.01 0.00 0.00 37.83 33.26 1fo5 s LYS 4 CO 0.49 0.43 0.35 0.42 0.51 0.00 0.00 175.35 177.55 1fo5 s ILE 5 N -0.07 1.00 -0.25 2.17 1.09 0.39 -3.37 121.20 122.16 1fo5 s ILE 5 Ca 0.14 -2.92 -0.06 0.00 -1.10 0.00 0.00 60.65 56.72 1fo5 s ILE 5 Cb -0.13 -1.69 -0.01 0.00 -1.06 0.00 0.00 42.46 39.58 1fo5 s ILE 5 CO 0.03 -1.13 0.03 -1.61 -0.10 0.00 0.00 174.94 172.16 1fo5 s GLU 6 N -0.16 3.41 -0.51 2.79 2.02 -0.63 -1.34 118.70 124.29 1fo5 s GLU 6 Ca 0.28 -0.63 -0.11 0.00 0.02 0.00 0.00 54.97 54.53 1fo5 s GLU 6 Cb -0.03 -3.21 0.13 0.00 0.10 0.00 0.00 34.13 31.11 1fo5 s GLU 6 CO -0.15 -0.25 0.41 -0.51 0.02 0.00 0.00 175.26 174.78 1fo5 s LEU 7 N 1.53 5.89 -0.51 1.80 2.01 -0.05 -0.83 118.68 128.52 1fo5 s LEU 7 Ca 0.05 -1.93 -0.05 0.00 0.01 0.00 0.00 54.13 52.22 1fo5 s LEU 7 Cb -0.15 -2.08 0.13 0.00 0.01 0.00 0.00 46.19 44.10 1fo5 s LEU 7 CO 0.01 -0.74 0.34 0.12 1.01 0.00 0.00 176.35 177.09 1fo5 s PHE 8 N 1.36 3.50 -0.07 0.29 2.19 -0.15 -1.00 117.98 124.10 1fo5 s PHE 8 Ca 0.06 -2.37 -0.32 0.00 0.33 0.00 0.00 56.93 54.63 1fo5 s PHE 8 Cb -0.27 -3.31 0.13 0.00 -1.31 0.00 0.00 43.02 38.27 1fo5 s PHE 8 CO 0.00 -0.94 1.38 -0.08 1.83 0.00 0.00 175.22 177.41 1fo5 s THR 9 N 0.75 0.00 -0.44 0.12 -1.32 -1.23 -0.98 115.64 112.54 1fo5 s THR 9 Ca 0.11 -0.09 0.07 0.00 -1.21 0.00 0.00 61.69 60.58 1fo5 s THR 9 Cb -0.22 -2.12 0.18 0.00 -1.51 0.00 0.00 72.50 68.83 1fo5 s THR 9 CO -0.03 0.00 0.64 -0.55 -2.21 0.00 0.00 174.62 172.46 1fo5 s SER 10 N -3.10 -1.30 0.00 8.08 0.15 -1.26 -1.70 113.70 114.57 1fo5 s SER 10 Ca 0.17 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1fo5 s SER 10 Cb 0.06 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.20 1fo5 s SER 10 CO -0.05 -0.14 1.39 -0.81 1.20 0.00 0.00 173.24 174.82 1fo5 n PRO 11 N 4.00 0.88 0.00 5.44 -0.04 -1.26 -4.87 135.00 139.15 1fo5 n PRO 11 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1fo5 n PRO 11 Cb 0.56 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 1.13 0.00 0.00 0.54 1.56 -1.26 -4.20 117.12 114.89 1fo5 n MET 12 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1fo5 n MET 12 Cb 0.44 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.81 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 -0.25 2.25 -0.90 0.00 -0.04 -1.26 -4.54 135.00 130.25 1fo5 n PRO 14 Ca 0.00 -2.74 0.05 0.00 -0.04 0.00 0.00 63.50 60.77 1fo5 n PRO 14 Cb 0.00 -3.58 0.12 0.00 -0.04 0.00 0.00 33.50 30.00 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 11.39 0.00 0.09 0.54 1.44 -1.26 -4.51 115.22 122.90 1fo5 n HIS 15 Ca 0.47 -0.97 0.00 0.00 -2.01 0.00 0.00 57.72 55.21 1fo5 n HIS 15 Cb 0.46 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.38 1fo5 n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fo5 s PRO 17 N -2.00 2.58 0.00 0.00 0.04 -1.26 -4.12 135.00 130.24 1fo5 s PRO 17 Ca 0.00 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1fo5 s PRO 17 Cb 0.00 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.38 1fo5 s PRO 17 CO 0.00 -3.61 0.00 0.00 0.04 0.00 0.00 177.00 173.43 1fo5 n ALA 18 N 13.94 0.49 -0.29 8.56 0.00 -1.26 -4.93 120.51 137.02 1fo5 n ALA 18 Ca 0.42 0.00 0.24 0.00 0.00 0.00 0.00 53.44 54.10 1fo5 n ALA 18 Cb 0.47 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.47 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 1.41 2.38 -0.24 0.00 0.00 -1.97 -0.45 119.26 120.39 1fo5 h ALA 19 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1fo5 h ALA 19 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1fo5 h ALA 19 CO 0.00 -0.73 -0.07 -0.22 0.00 0.00 0.00 179.25 178.23 1fo5 h LYS 20 N 0.32 -0.01 -0.37 0.00 3.11 -1.92 0.23 116.57 117.92 1fo5 h LYS 20 Ca 0.55 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 58.23 1fo5 h LYS 20 Cb 1.53 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.75 1fo5 h LYS 20 CO -0.21 -0.01 -0.39 0.00 -2.81 0.00 0.00 179.45 176.04 1fo5 h ARG 21 N -0.01 0.91 -0.10 1.90 3.08 -1.44 -1.75 114.38 116.97 1fo5 h ARG 21 Ca 0.12 -0.48 -0.08 0.00 0.07 0.00 0.00 59.98 59.61 1fo5 h ARG 21 Cb 0.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1fo5 h ARG 21 CO -0.25 1.13 -0.29 0.28 -1.07 0.00 0.00 179.97 179.77 1fo5 h VAL 22 N 0.74 1.25 -0.19 2.04 2.07 -0.71 0.18 116.25 121.63 1fo5 h VAL 22 Ca 0.06 -1.16 -0.22 0.00 0.82 0.00 0.00 66.70 66.21 1fo5 h VAL 22 Cb 0.98 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1fo5 h VAL 22 CO 0.09 0.35 -0.73 1.62 0.02 0.00 0.00 177.57 178.92 1fo5 h VAL 23 N 0.17 1.27 -0.13 2.57 3.04 -0.55 -0.73 116.25 121.89 1fo5 h VAL 23 Ca 0.02 -1.91 0.02 0.00 -1.01 0.00 0.00 66.70 63.82 1fo5 h VAL 23 Cb 0.60 1.90 -0.02 0.00 -2.01 0.00 0.00 31.29 31.75 1fo5 h VAL 23 CO 0.04 0.61 -0.01 -0.08 -1.01 0.00 0.00 177.57 177.13 1fo5 h GLU 24 N 0.58 0.03 0.13 4.17 4.81 -0.89 -0.43 114.58 122.98 1fo5 h GLU 24 Ca -0.04 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1fo5 h GLU 24 Cb 1.35 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1fo5 h GLU 24 CO 0.15 0.02 -0.06 1.49 -0.73 0.00 0.00 179.01 179.88 1fo5 h GLU 25 N 0.03 -0.17 0.00 1.92 4.57 -1.01 -0.41 114.58 119.51 1fo5 h GLU 25 Ca 0.06 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1fo5 h GLU 25 Cb 0.08 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1fo5 h GLU 25 CO -0.11 0.24 0.00 0.28 -1.18 0.00 0.00 179.01 178.23 1fo5 h VAL 26 N -0.64 0.00 0.00 0.32 2.07 -1.13 0.02 116.25 116.90 1fo5 h VAL 26 Ca -0.02 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 1fo5 h VAL 26 Cb 0.49 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1fo5 h VAL 26 CO 0.03 0.00 -0.74 0.00 0.02 0.00 0.00 177.57 176.88 1fo5 h ALA 27 N 2.07 0.56 -0.42 1.67 0.00 -1.01 0.25 119.26 122.38 1fo5 h ALA 27 Ca 0.00 -0.65 0.07 0.00 0.00 0.00 0.00 54.91 54.33 1fo5 h ALA 27 Cb 0.46 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1fo5 h ALA 27 CO 0.00 0.88 0.03 -0.91 0.00 0.00 0.00 179.25 179.25 1fo5 h ASN 28 N 0.00 -0.12 0.01 0.00 2.35 0.76 -2.89 115.58 115.70 1fo5 h ASN 28 Ca -0.02 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1fo5 h ASN 28 Cb 1.55 0.15 0.00 0.00 0.05 0.00 0.00 38.32 40.07 1fo5 h ASN 28 CO 0.09 -0.02 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.38 1fo5 h GLU 29 N 0.14 0.06 -2.26 0.81 3.07 -1.38 -3.43 114.58 111.59 1fo5 h GLU 29 Ca 0.21 -0.09 -0.57 0.00 -0.50 0.00 0.00 59.36 58.41 1fo5 h GLU 29 Cb 0.28 0.03 -0.37 0.00 -0.84 0.00 0.00 28.75 27.85 1fo5 h GLU 29 CO -0.32 0.95 -0.98 -1.33 -1.40 0.00 0.00 179.01 175.94 1fo5 n MET 30 N -4.57 0.26 -0.83 2.33 2.81 0.88 -5.00 117.12 113.00 1fo5 n MET 30 Ca -0.10 -3.13 -0.16 0.00 -1.81 0.00 0.00 57.70 52.50 1fo5 n MET 30 Cb 0.49 -1.61 -0.09 0.00 -0.71 0.00 0.00 33.22 31.31 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 2.66 1.92 0.15 0.03 -0.04 -1.09 -3.03 135.00 135.60 1fo5 n PRO 31 Ca 0.28 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1fo5 n PRO 31 Cb 0.49 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 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 3.06 -2.62 -2.44 3.54 2.03 -1.26 -5.00 116.55 113.85 1fo5 n ASP 32 Ca 0.41 0.57 -0.22 0.00 0.52 0.00 0.00 54.79 56.08 1fo5 n ASP 32 Cb 0.52 2.62 -0.11 0.00 -0.72 0.00 0.00 41.12 43.43 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 -3.08 6.66 -3.62 -1.67 0.00 -1.17 -4.70 120.51 112.93 1fo5 n ALA 33 Ca 0.00 -2.52 -0.28 0.00 0.00 0.00 0.00 53.44 50.64 1fo5 n ALA 33 Cb 0.00 -2.53 -0.12 0.00 0.00 0.00 0.00 19.45 16.80 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 0.54 1.22 -1.08 0.00 0.11 -1.25 -1.00 120.40 118.93 1fo5 s VAL 34 Ca 0.65 -2.84 -0.18 0.00 -2.93 0.00 0.00 61.98 56.68 1fo5 s VAL 34 Cb 0.29 -1.84 0.11 0.00 -1.53 0.00 0.00 36.38 33.42 1fo5 s VAL 34 CO -0.06 -1.04 1.37 -1.61 -3.33 0.00 0.00 175.10 170.44 1fo5 s GLU 35 N -0.03 3.79 -0.09 1.54 0.41 0.02 -5.00 118.70 119.34 1fo5 s GLU 35 Ca 0.24 -1.88 -0.21 0.00 -0.41 0.00 0.00 54.97 52.71 1fo5 s GLU 35 Cb -0.11 -5.15 -0.04 0.00 -1.78 0.00 0.00 34.13 27.05 1fo5 s GLU 35 CO -0.10 -1.94 0.61 0.14 -0.49 0.00 0.00 175.26 173.49 1fo5 s VAL 36 N 3.12 5.10 -0.13 2.63 -7.23 -1.26 -0.46 120.40 122.17 1fo5 s VAL 36 Ca 0.41 1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 61.82 1fo5 s VAL 36 Cb -0.02 -3.95 0.04 0.00 0.56 0.00 0.00 36.38 33.01 1fo5 s VAL 36 CO -0.04 0.28 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.40 1fo5 s GLU 37 N 0.75 0.93 -0.97 4.82 2.02 -0.45 -4.98 118.70 120.83 1fo5 s GLU 37 Ca 0.33 -0.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.96 1fo5 s GLU 37 Cb -0.17 -1.57 0.19 0.00 0.10 0.00 0.00 34.13 32.69 1fo5 s GLU 37 CO 0.15 -0.41 1.04 -0.47 0.02 0.00 0.00 175.26 175.59 1fo5 s TYR 38 N 1.83 3.59 -1.22 1.61 5.04 -1.26 -0.87 117.35 126.07 1fo5 s TYR 38 Ca 0.03 -1.93 -0.11 0.00 -2.44 0.00 0.00 57.07 52.62 1fo5 s TYR 38 Cb -0.14 -4.05 0.19 0.00 0.35 0.00 0.00 41.96 38.30 1fo5 s TYR 38 CO -0.07 -1.21 1.59 0.44 -1.34 0.00 0.00 175.55 174.96 1fo5 n ILE 39 N 4.37 4.39 -1.47 3.14 -0.00 -0.17 -4.97 119.36 124.65 1fo5 n ILE 39 Ca 0.22 -4.73 -0.56 0.00 -0.00 0.00 0.00 62.75 57.68 1fo5 n ILE 39 Cb 0.46 -2.40 -0.09 0.00 -0.00 0.00 0.00 39.64 37.61 1fo5 n ILE 39 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1fo5 n ASN 40 N 4.42 1.75 -4.66 7.28 5.15 -1.26 -3.57 115.26 124.36 1fo5 n ASN 40 Ca 0.36 0.70 -0.55 0.00 -0.60 0.00 0.00 54.58 54.50 1fo5 n ASN 40 Cb 0.39 -1.10 -0.06 0.00 -0.53 0.00 0.00 39.78 38.47 1fo5 n ASN 40 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1fo5 n VAL 41 N 6.16 0.20 0.00 3.44 0.31 -0.69 -4.64 118.33 123.11 1fo5 n VAL 41 Ca 0.41 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1fo5 n VAL 41 Cb 0.11 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1fo5 n VAL 41 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1fo5 n MET 42 N 4.33 0.00 -3.70 5.55 2.81 -1.26 -4.80 117.12 120.05 1fo5 n MET 42 Ca 0.23 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.92 1fo5 n MET 42 Cb 0.17 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.66 1fo5 n MET 42 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1fo5 n GLU 43 N -1.77 -0.77 -3.67 0.03 1.02 -1.26 -4.91 120.64 109.31 1fo5 n GLU 43 Ca 0.00 -0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 56.88 1fo5 n GLU 43 Cb 0.00 -1.13 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 1fo5 n GLU 43 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1fo5 s ASN 44 N -4.04 -0.28 1.05 1.62 3.04 -1.26 -5.05 114.94 110.02 1fo5 s ASN 44 Ca 0.15 0.03 -0.15 0.00 0.04 0.00 0.00 52.86 52.92 1fo5 s ASN 44 Cb -0.08 0.41 0.21 0.00 -1.54 0.00 0.00 41.25 40.26 1fo5 s ASN 44 CO 0.49 -0.63 1.14 -2.16 -3.04 0.00 0.00 177.10 172.89 1fo5 s PRO 45 N -2.29 -0.00 0.00 0.43 0.04 -1.26 -4.91 135.00 127.01 1fo5 s PRO 45 Ca -0.06 0.13 0.06 0.00 0.04 0.00 0.00 61.00 61.16 1fo5 s PRO 45 Cb -0.01 -1.72 0.33 0.00 0.04 0.00 0.00 34.50 33.14 1fo5 s PRO 45 CO -0.01 -2.94 0.72 1.04 0.04 0.00 0.00 177.00 175.85 1fo5 n GLN 46 N -4.25 0.32 -0.01 4.56 6.02 -1.26 -4.11 117.38 118.65 1fo5 n GLN 46 Ca 0.10 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.27 1fo5 n GLN 46 Cb 0.59 -1.28 0.66 0.00 1.02 0.00 0.00 30.24 31.23 1fo5 n GLN 46 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1fo5 h LYS 47 N 0.00 0.07 0.01 -1.09 -0.00 -2.01 0.21 116.57 113.76 1fo5 h LYS 47 Ca 0.00 -0.00 -0.31 0.00 -0.00 0.00 0.00 60.65 60.34 1fo5 h LYS 47 Cb 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 32.23 32.16 1fo5 h LYS 47 CO 0.00 0.04 -1.84 0.00 -0.00 0.00 0.00 179.45 177.65 1fo5 n ALA 48 N -2.62 1.44 0.35 0.07 0.00 -1.26 -4.46 120.51 114.03 1fo5 n ALA 48 Ca 0.10 -0.83 0.14 0.00 0.00 0.00 0.00 53.44 52.84 1fo5 n ALA 48 Cb 0.56 -0.73 0.57 0.00 0.00 0.00 0.00 19.45 19.84 1fo5 n ALA 48 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1fo5 h MET 49 N 0.01 0.00 0.00 0.00 2.86 -0.93 -2.64 114.93 114.23 1fo5 h MET 49 Ca -0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1fo5 h MET 49 Cb 2.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.71 1fo5 h MET 49 CO 0.07 0.00 0.00 1.05 1.06 0.00 0.00 176.91 179.09 1fo5 h GLU 50 N 0.00 0.00 -7.24 1.72 4.11 -1.24 -3.44 114.58 108.49 1fo5 h GLU 50 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.93 1fo5 h GLU 50 Cb 0.41 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.74 1fo5 h GLU 50 CO 0.00 0.00 0.37 0.71 0.07 0.00 0.00 179.01 180.16 1fo5 s TYR 51 N -3.55 2.90 -0.10 2.06 2.02 -1.00 -4.94 117.35 114.75 1fo5 s TYR 51 Ca 0.02 1.50 -0.35 0.00 -0.37 0.00 0.00 57.07 57.87 1fo5 s TYR 51 Cb 0.09 -3.01 -0.13 0.00 -0.40 0.00 0.00 41.96 38.51 1fo5 s TYR 51 CO 0.50 -1.33 1.83 0.41 -1.57 0.00 0.00 175.55 175.39 1fo5 n GLY 52 N -1.15 1.32 1.90 0.71 0.00 -1.26 -0.96 105.19 105.75 1fo5 n GLY 52 Ca 0.09 0.86 -0.05 0.00 0.00 0.00 0.00 46.02 46.91 1fo5 n GLY 52 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fo5 n ILE 53 N 4.89 0.00 -0.35 -0.61 -5.35 -1.26 -1.56 119.36 115.12 1fo5 n ILE 53 Ca 0.23 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.71 1fo5 n ILE 53 Cb 0.26 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 1fo5 n ILE 53 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1fo5 n MET 54 N -0.86 -1.40 -4.38 6.28 2.81 -0.14 -4.13 117.12 115.30 1fo5 n MET 54 Ca -0.05 0.14 -0.35 0.00 -1.81 0.00 0.00 57.70 55.63 1fo5 n MET 54 Cb 0.24 -3.19 -0.09 0.00 -0.71 0.00 0.00 33.22 29.47 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 0.58 -1.74 -2.10 3.04 0.00 -0.60 -4.38 120.51 115.31 1fo5 n ALA 55 Ca 0.00 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 1fo5 n ALA 55 Cb 0.14 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.99 3.70 -0.01 0.00 1.01 -1.26 -2.31 120.40 117.54 1fo5 s VAL 56 Ca 0.29 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 1fo5 s VAL 56 Cb -0.17 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1fo5 s VAL 56 CO 1.00 0.21 1.57 -2.16 0.00 0.00 0.00 175.10 175.73 1fo5 s PRO 57 N -0.10 4.21 -0.22 2.72 0.04 -1.26 -4.94 135.00 135.45 1fo5 s PRO 57 Ca 0.53 2.15 -0.27 0.00 0.04 0.00 0.00 61.00 63.45 1fo5 s PRO 57 Cb -0.31 -3.76 -0.00 0.00 0.04 0.00 0.00 34.50 30.46 1fo5 s PRO 57 CO 0.35 -0.74 0.92 0.99 0.04 0.00 0.00 177.00 178.56 1fo5 s THR 58 N 3.20 4.78 0.16 1.26 2.01 -0.15 -4.63 115.64 122.27 1fo5 s THR 58 Ca 0.70 1.77 0.08 0.00 0.31 0.00 0.00 61.69 64.56 1fo5 s THR 58 Cb -0.34 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 1fo5 s THR 58 CO 0.29 -0.10 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.31 1fo5 s ILE 59 N 2.87 1.76 -0.02 1.82 1.09 -0.64 -0.98 121.20 127.09 1fo5 s ILE 59 Ca 0.39 -1.89 0.06 0.00 -1.10 0.00 0.00 60.65 58.11 1fo5 s ILE 59 Cb -0.15 -1.81 -0.01 0.00 -1.06 0.00 0.00 42.46 39.42 1fo5 s ILE 59 CO 0.08 -0.33 -0.21 0.68 -0.10 0.00 0.00 174.94 175.06 1fo5 s VAL 60 N -2.07 1.66 0.11 2.92 -7.23 -0.01 -0.93 120.40 114.86 1fo5 s VAL 60 Ca 0.15 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1fo5 s VAL 60 Cb -0.06 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 1fo5 s VAL 60 CO 0.06 0.47 -0.08 0.27 -0.31 0.00 0.00 175.10 175.51 1fo5 s ILE 61 N -0.40 0.86 0.00 -0.62 -5.25 -0.96 -1.60 121.20 113.23 1fo5 s ILE 61 Ca 0.06 -1.93 0.00 0.00 -0.99 0.00 0.00 60.65 57.78 1fo5 s ILE 61 Cb -0.09 -1.69 0.00 0.00 2.95 0.00 0.00 42.46 43.63 1fo5 s ILE 61 CO -0.00 -0.80 0.00 0.59 -1.79 0.00 0.00 174.94 172.94 1fo5 n ASN 62 N -0.01 0.00 0.00 4.36 4.13 -1.22 0.09 115.26 122.60 1fo5 n ASN 62 Ca -0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1fo5 n ASN 62 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 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 -0.20 3.59 7.41 0.00 -1.26 -0.56 105.19 114.17 1fo5 n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.08 6.54 0.15 1.61 1.11 0.11 -5.03 116.67 121.08 1fo5 s ASP 64 Ca 0.00 0.42 -0.33 0.00 0.18 0.00 0.00 52.55 52.83 1fo5 s ASP 64 Cb 0.00 -2.36 -0.12 0.00 1.07 0.00 0.00 42.92 41.50 1fo5 s ASP 64 CO 0.00 -0.59 1.72 0.55 1.18 0.00 0.00 175.17 178.04 1fo5 n VAL 65 N 5.54 0.15 -3.61 -1.27 3.14 -1.26 -2.27 118.33 118.75 1fo5 n VAL 65 Ca 0.01 -0.03 -0.10 0.00 -2.96 0.00 0.00 64.34 61.27 1fo5 n VAL 65 Cb 0.48 -1.87 -0.02 0.00 -1.06 0.00 0.00 33.84 31.37 1fo5 n VAL 65 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1fo5 s GLU 66 N 1.74 1.45 0.03 1.45 0.41 -0.11 -4.99 118.70 118.69 1fo5 s GLU 66 Ca 0.80 -0.67 -0.15 0.00 -0.41 0.00 0.00 54.97 54.53 1fo5 s GLU 66 Cb -0.57 0.58 0.02 0.00 -1.78 0.00 0.00 34.13 32.39 1fo5 s GLU 66 CO 0.37 -0.65 0.33 -0.59 -0.49 0.00 0.00 175.26 174.23 1fo5 s PHE 67 N -3.77 -0.17 -0.46 1.61 -0.71 -1.26 -1.62 117.98 111.61 1fo5 s PHE 67 Ca 0.06 0.11 0.03 0.00 -1.04 0.00 0.00 56.93 56.09 1fo5 s PHE 67 Cb -0.03 0.13 0.16 0.00 -1.21 0.00 0.00 43.02 42.07 1fo5 s PHE 67 CO -0.04 -0.50 0.33 0.42 -1.34 0.00 0.00 175.22 174.09 1fo5 s ILE 68 N -2.24 0.91 0.00 -4.49 -1.09 -1.26 -5.07 121.20 107.95 1fo5 s ILE 68 Ca -0.07 -2.78 0.00 0.00 -2.23 0.00 0.00 60.65 55.57 1fo5 s ILE 68 Cb -0.02 -1.62 0.00 0.00 -1.58 0.00 0.00 42.46 39.24 1fo5 s ILE 68 CO -0.01 -1.11 0.00 0.61 -1.23 0.00 0.00 174.94 173.20 1fo5 n GLY 69 N 2.97 -1.77 0.23 6.18 0.00 -1.26 -4.16 105.19 107.38 1fo5 n GLY 69 Ca 0.22 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.75 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 1.51 -2.52 4.61 0.00 -1.99 -3.40 119.26 117.47 1fo5 h ALA 70 Ca 0.00 -0.22 -0.47 0.00 0.00 0.00 0.00 54.91 54.22 1fo5 h ALA 70 Cb 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 17.79 17.83 1fo5 h ALA 70 CO 0.00 0.35 0.34 -1.25 0.00 0.00 0.00 179.25 178.70 1fo5 s PRO 71 N -4.62 1.62 1.05 0.00 0.04 -1.26 -4.71 135.00 127.12 1fo5 s PRO 71 Ca -0.05 0.30 -0.18 0.00 0.04 0.00 0.00 61.00 61.11 1fo5 s PRO 71 Cb 0.15 -1.89 0.27 0.00 0.04 0.00 0.00 34.50 33.06 1fo5 s PRO 71 CO 0.73 -1.87 0.76 0.25 0.04 0.00 0.00 177.00 176.91 1fo5 n THR 72 N -3.54 0.00 0.66 1.26 -2.24 -1.26 -4.42 114.28 104.74 1fo5 n THR 72 Ca 0.07 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1fo5 n THR 72 Cb 0.59 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 -4.53 0.66 -0.35 -0.78 4.81 -1.26 -4.38 118.16 112.34 1fo5 n LYS 73 Ca 0.11 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.68 1fo5 n LYS 73 Cb 0.46 -1.30 0.32 0.00 0.02 0.00 0.00 35.03 34.53 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 0.41 0.72 -0.85 1.64 4.81 -1.90 0.92 114.58 120.33 1fo5 h GLU 74 Ca 0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1fo5 h GLU 74 Cb 0.39 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1fo5 h GLU 74 CO 0.00 0.47 0.55 0.00 -0.73 0.00 0.00 179.01 179.30 1fo5 h ALA 75 N 1.64 1.10 0.00 2.92 0.00 -1.88 -1.33 119.26 121.72 1fo5 h ALA 75 Ca 0.57 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.39 1fo5 h ALA 75 Cb 0.90 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1fo5 h ALA 75 CO -0.39 0.41 -0.49 1.25 0.00 0.00 0.00 179.25 180.03 1fo5 h LEU 76 N 1.09 0.00 -0.93 0.00 7.12 -1.59 -3.27 115.31 117.73 1fo5 h LEU 76 Ca 0.33 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.39 1fo5 h LEU 76 Cb -0.04 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.03 1fo5 h LEU 76 CO -0.10 0.23 0.59 1.62 -0.13 0.00 0.00 178.44 180.66 1fo5 h VAL 77 N 0.00 1.10 -0.10 1.05 3.04 0.19 0.20 116.25 121.73 1fo5 h VAL 77 Ca -0.02 -0.38 0.03 0.00 -1.01 0.00 0.00 66.70 65.32 1fo5 h VAL 77 Cb 1.19 -0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1fo5 h VAL 77 CO 0.03 0.20 0.17 -0.08 -1.01 0.00 0.00 177.57 176.88 1fo5 h GLU 78 N 1.11 0.00 0.00 4.17 4.22 -1.36 -0.51 114.58 122.22 1fo5 h GLU 78 Ca 0.39 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.73 1fo5 h GLU 78 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1fo5 h GLU 78 CO -0.15 0.00 -0.57 0.00 -2.18 0.00 0.00 179.01 176.10 1fo5 h ALA 79 N 1.75 0.12 -0.97 2.92 0.00 -0.87 -3.28 119.26 118.93 1fo5 h ALA 79 Ca 0.05 -0.82 0.16 0.00 0.00 0.00 0.00 54.91 54.30 1fo5 h ALA 79 Cb 0.39 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1fo5 h ALA 79 CO -0.00 0.32 0.61 -0.84 0.00 0.00 0.00 179.25 179.34 1fo5 h ILE 80 N -0.99 0.79 -0.10 0.00 -0.00 0.58 0.42 117.51 118.21 1fo5 h ILE 80 Ca -0.16 -0.27 -0.03 0.00 -0.00 0.00 0.00 64.86 64.41 1fo5 h ILE 80 Cb 1.14 -0.05 -0.00 0.00 -0.00 0.00 0.00 36.82 37.91 1fo5 h ILE 80 CO -0.09 0.14 -0.05 0.07 -0.00 0.00 0.00 178.15 178.22 1fo5 h LYS 81 N 0.77 0.21 0.00 0.16 2.10 -1.34 -3.20 116.57 115.28 1fo5 h LYS 81 Ca 0.52 -0.09 -0.02 0.00 -2.00 0.00 0.00 60.65 59.06 1fo5 h LYS 81 Cb 0.78 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1fo5 h LYS 81 CO -0.29 0.56 -0.09 1.57 -2.00 0.00 0.00 179.45 179.21 1fo5 h LYS 82 N -0.15 0.00 0.00 0.07 5.09 -1.45 -3.15 116.57 116.98 1fo5 h LYS 82 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.76 1fo5 h LYS 82 Cb 0.50 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.83 1fo5 h LYS 82 CO 0.01 0.09 0.00 0.54 -2.09 0.00 0.00 179.45 178.01 1fo5 n ARG 83 N -3.16 0.30 0.00 0.07 1.74 0.08 -5.10 116.66 110.59 1fo5 n ARG 83 Ca 0.02 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1fo5 n ARG 83 Cb 0.45 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1fo5 n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00