#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 1.24 -2.19 3.17 7.64 -1.26 -3.38 113.62 118.84 1fo5 n SER 1 Ca 0.00 1.16 -0.01 0.00 1.01 0.00 0.00 58.87 61.03 1fo5 n SER 1 Cb 0.00 -0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 62.24 1fo5 n SER 1 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1fo5 n LYS 2 N 3.72 -2.20 -1.75 1.43 4.81 -1.26 -5.02 118.16 117.89 1fo5 n LYS 2 Ca 0.27 1.94 -0.41 0.00 -0.87 0.00 0.00 58.31 59.24 1fo5 n LYS 2 Cb 0.02 -3.52 0.00 0.00 0.02 0.00 0.00 35.03 31.55 1fo5 n LYS 2 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1fo5 n VAL 3 N 0.55 2.19 -4.34 3.15 0.31 -0.19 -4.87 118.33 115.12 1fo5 n VAL 3 Ca -0.06 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.46 1fo5 n VAL 3 Cb 0.09 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.08 1fo5 n VAL 3 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1fo5 s LYS 4 N -2.13 2.39 -0.04 5.55 3.01 -0.64 -0.64 119.74 127.24 1fo5 s LYS 4 Ca 0.56 -0.85 -0.01 0.00 -1.01 0.00 0.00 55.97 54.65 1fo5 s LYS 4 Cb -0.49 -2.43 0.03 0.00 -1.01 0.00 0.00 37.83 33.93 1fo5 s LYS 4 CO 0.62 0.56 0.08 0.42 0.51 0.00 0.00 175.35 177.54 1fo5 s ILE 5 N -1.12 -0.06 -0.08 2.17 1.01 0.34 -3.27 121.20 120.19 1fo5 s ILE 5 Ca 0.20 0.21 0.02 0.00 0.00 0.00 0.00 60.65 61.08 1fo5 s ILE 5 Cb -0.11 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.22 1fo5 s ILE 5 CO 0.11 0.09 -0.12 -1.61 0.00 0.00 0.00 174.94 173.41 1fo5 s GLU 6 N 1.18 1.71 -1.03 2.79 2.02 -0.71 -1.55 118.70 123.12 1fo5 s GLU 6 Ca -0.08 -0.40 -0.03 0.00 0.02 0.00 0.00 54.97 54.48 1fo5 s GLU 6 Cb -0.12 -1.47 0.30 0.00 0.10 0.00 0.00 34.13 32.94 1fo5 s GLU 6 CO -0.04 -0.03 1.43 1.28 0.02 0.00 0.00 175.26 177.91 1fo5 n LEU 7 N 4.03 6.20 -4.55 1.80 7.99 0.11 -1.50 117.00 131.08 1fo5 n LEU 7 Ca -0.21 -5.25 -0.43 0.00 -0.01 0.00 0.00 56.01 50.11 1fo5 n LEU 7 Cb 0.51 -1.20 -0.01 0.00 -0.11 0.00 0.00 43.42 42.61 1fo5 n LEU 7 CO 0.24 1.75 1.72 0.12 -1.51 0.00 0.00 177.39 179.71 1fo5 s PHE 8 N -2.85 2.81 0.43 -1.77 2.19 -0.09 -1.59 117.98 117.12 1fo5 s PHE 8 Ca 0.32 -1.46 0.04 0.00 0.33 0.00 0.00 56.93 56.16 1fo5 s PHE 8 Cb 0.07 -4.67 -0.02 0.00 -1.31 0.00 0.00 43.02 37.09 1fo5 s PHE 8 CO 0.09 -1.78 0.12 0.95 1.83 0.00 0.00 175.22 176.43 1fo5 s THR 9 N 4.05 0.61 0.00 0.12 -4.23 -0.76 -0.60 115.64 114.83 1fo5 s THR 9 Ca 0.49 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1fo5 s THR 9 Cb 0.02 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1fo5 s THR 9 CO 0.01 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.55 1fo5 n SER 10 N -1.39 0.00 -4.57 3.99 3.41 -1.26 -0.99 113.62 112.81 1fo5 n SER 10 Ca -0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 1fo5 n SER 10 Cb 0.65 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1fo5 n SER 10 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1fo5 s PRO 11 N 0.00 3.23 -0.13 4.33 0.04 -1.26 -4.81 135.00 136.41 1fo5 s PRO 11 Ca 0.00 -1.08 -0.30 0.00 0.04 0.00 0.00 61.00 59.66 1fo5 s PRO 11 Cb 0.00 -5.30 0.11 0.00 0.04 0.00 0.00 34.50 29.35 1fo5 s PRO 11 CO 0.00 -2.79 0.90 0.00 0.04 0.00 0.00 177.00 175.15 1fo5 s MET 12 N 5.60 0.73 0.98 4.56 0.23 -1.26 -4.87 119.30 125.27 1fo5 s MET 12 Ca 0.57 0.18 -0.12 0.00 -1.03 0.00 0.00 55.69 55.29 1fo5 s MET 12 Cb -0.01 0.35 0.18 0.00 -1.53 0.00 0.00 34.83 33.81 1fo5 s MET 12 CO -0.01 -0.23 1.09 0.00 -2.03 0.00 0.00 175.02 173.85 1fo5 n PRO 14 N -4.13 0.91 0.31 0.00 -0.04 -1.26 -4.56 135.00 126.23 1fo5 n PRO 14 Ca 0.06 -0.35 0.19 0.00 -0.04 0.00 0.00 63.50 63.36 1fo5 n PRO 14 Cb 0.57 -1.57 1.06 0.00 -0.04 0.00 0.00 33.50 33.52 1fo5 n PRO 14 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1fo5 h HIS 15 N 3.54 0.00 -3.96 0.54 2.07 -1.99 -3.39 115.15 111.96 1fo5 h HIS 15 Ca 0.07 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.24 1fo5 h HIS 15 Cb 0.74 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 30.51 1fo5 h HIS 15 CO 1.02 0.00 -0.76 0.00 -3.07 0.00 0.00 177.93 175.13 1fo5 n PRO 17 N 1.40 0.73 0.00 0.00 -0.02 -1.26 -4.87 135.00 130.98 1fo5 n PRO 17 Ca -0.22 -1.58 0.00 0.00 -2.02 0.00 0.00 63.50 59.68 1fo5 n PRO 17 Cb 0.54 -3.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1fo5 n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fo5 n ALA 18 N 10.82 0.00 0.27 3.55 0.00 -1.26 -0.22 120.51 133.67 1fo5 n ALA 18 Ca 0.47 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.03 1fo5 n ALA 18 Cb 0.43 0.14 0.77 0.00 0.00 0.00 0.00 19.45 20.78 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 -2.04 1.53 -0.20 0.00 0.00 -1.96 -1.85 119.26 114.75 1fo5 h ALA 19 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1fo5 h ALA 19 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1fo5 h ALA 19 CO 0.00 0.08 0.10 0.87 0.00 0.00 0.00 179.25 180.30 1fo5 h LYS 20 N 0.00 0.28 -0.06 0.00 1.79 -1.78 0.13 116.57 116.94 1fo5 h LYS 20 Ca -0.00 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1fo5 h LYS 20 Cb 0.15 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1fo5 h LYS 20 CO 0.01 0.30 0.00 -0.09 -1.08 0.00 0.00 179.45 178.59 1fo5 h ARG 21 N 0.20 0.10 -0.33 3.15 1.12 -0.12 -0.63 114.38 117.87 1fo5 h ARG 21 Ca 0.07 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.87 1fo5 h ARG 21 Cb 0.11 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.04 1fo5 h ARG 21 CO -0.01 0.36 0.03 0.28 -3.11 0.00 0.00 179.97 177.52 1fo5 h VAL 22 N -0.17 1.18 -0.16 0.20 2.07 -1.15 0.28 116.25 118.50 1fo5 h VAL 22 Ca 0.02 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1fo5 h VAL 22 Cb 0.31 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1fo5 h VAL 22 CO 0.00 0.24 -0.21 1.62 0.02 0.00 0.00 177.57 179.24 1fo5 h VAL 23 N 0.48 1.35 -0.46 2.57 3.04 -0.98 -1.97 116.25 120.27 1fo5 h VAL 23 Ca 0.11 -1.41 0.08 0.00 -1.01 0.00 0.00 66.70 64.47 1fo5 h VAL 23 Cb 0.27 1.89 -0.07 0.00 -2.01 0.00 0.00 31.29 31.37 1fo5 h VAL 23 CO 0.00 0.42 0.04 -0.08 -1.01 0.00 0.00 177.57 176.95 1fo5 h GLU 24 N 0.06 0.16 0.42 4.17 4.81 -0.13 0.33 114.58 124.39 1fo5 h GLU 24 Ca 0.02 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1fo5 h GLU 24 Cb 0.77 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1fo5 h GLU 24 CO 0.05 0.10 -0.20 1.49 -0.73 0.00 0.00 179.01 179.72 1fo5 h GLU 25 N 0.16 -0.54 -0.07 1.92 4.57 -0.50 -0.58 114.58 119.55 1fo5 h GLU 25 Ca 0.23 0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 58.21 1fo5 h GLU 25 Cb 0.32 0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1fo5 h GLU 25 CO -0.35 -0.34 -0.90 0.28 -1.18 0.00 0.00 179.01 176.53 1fo5 h VAL 26 N -0.60 1.30 -0.05 0.32 2.07 -1.22 -3.13 116.25 114.94 1fo5 h VAL 26 Ca -0.06 -2.16 0.02 0.00 0.82 0.00 0.00 66.70 65.32 1fo5 h VAL 26 Cb 0.45 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1fo5 h VAL 26 CO 0.09 0.67 0.04 0.00 0.02 0.00 0.00 177.57 178.40 1fo5 h ALA 27 N 0.56 1.88 -0.16 1.67 0.00 -0.27 0.35 119.26 123.29 1fo5 h ALA 27 Ca -0.08 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1fo5 h ALA 27 Cb 1.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1fo5 h ALA 27 CO 0.18 -0.07 0.18 -0.97 0.00 0.00 0.00 179.25 178.56 1fo5 h ASN 28 N 0.00 0.00 0.00 0.00 -1.24 -1.04 -2.10 115.58 111.20 1fo5 h ASN 28 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1fo5 h ASN 28 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1fo5 h ASN 28 CO -0.00 0.00 -1.00 -1.84 -1.29 0.00 0.00 177.43 173.30 1fo5 n GLU 29 N -3.83 1.24 -3.42 6.67 -0.00 -0.25 -4.87 120.64 116.19 1fo5 n GLU 29 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.16 56.91 1fo5 n GLU 29 Cb 0.29 -1.00 -0.09 0.00 -0.00 0.00 0.00 31.44 30.64 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 -1.65 0.94 0.00 3.44 2.81 0.11 -5.02 117.12 117.75 1fo5 n MET 30 Ca 0.00 -3.61 0.00 0.00 -1.81 0.00 0.00 57.70 52.28 1fo5 n MET 30 Cb 0.16 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 30.95 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 1.98 0.58 0.00 0.03 -0.04 -0.80 -3.61 135.00 133.15 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 0.46 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.69 0.00 -2.61 3.54 2.03 -1.26 -4.95 116.55 114.00 1fo5 n ASP 32 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1fo5 n ASP 32 Cb 0.28 0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 40.63 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 -1.81 6.16 -3.12 -1.67 0.00 -1.24 -4.79 120.51 114.05 1fo5 n ALA 33 Ca 0.00 -2.26 -0.16 0.00 0.00 0.00 0.00 53.44 51.02 1fo5 n ALA 33 Cb 0.00 -2.74 -0.15 0.00 0.00 0.00 0.00 19.45 16.56 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 1.83 0.29 -0.02 0.00 0.11 -1.25 -1.02 120.40 120.33 1fo5 s VAL 34 Ca 0.60 -0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.59 1fo5 s VAL 34 Cb 0.22 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.78 1fo5 s VAL 34 CO -0.02 0.11 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.03 1fo5 s GLU 35 N 0.30 1.22 -0.06 1.54 2.12 0.19 -4.92 118.70 119.08 1fo5 s GLU 35 Ca -0.03 -0.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.80 1fo5 s GLU 35 Cb -0.06 -1.13 0.04 0.00 0.26 0.00 0.00 34.13 33.23 1fo5 s GLU 35 CO -0.01 0.24 0.13 0.14 -0.54 0.00 0.00 175.26 175.23 1fo5 s VAL 36 N -0.13 -0.11 -0.22 3.70 -7.23 -1.25 -0.51 120.40 114.66 1fo5 s VAL 36 Ca 0.01 0.24 -0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1fo5 s VAL 36 Cb -0.07 -0.24 0.06 0.00 0.56 0.00 0.00 36.38 36.69 1fo5 s VAL 36 CO 0.00 0.10 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.24 1fo5 s GLU 37 N 1.50 1.45 -0.54 4.82 2.02 -0.59 -5.00 118.70 122.35 1fo5 s GLU 37 Ca -0.05 -0.82 -0.28 0.00 0.02 0.00 0.00 54.97 53.84 1fo5 s GLU 37 Cb -0.12 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.71 1fo5 s GLU 37 CO -0.05 -0.57 1.31 -0.47 0.02 0.00 0.00 175.26 175.50 1fo5 s TYR 38 N 1.51 2.45 -0.50 1.61 6.14 -1.26 -0.71 117.35 126.59 1fo5 s TYR 38 Ca -0.04 0.50 0.04 0.00 0.64 0.00 0.00 57.07 58.21 1fo5 s TYR 38 Cb -0.18 -4.43 0.13 0.00 0.42 0.00 0.00 41.96 37.90 1fo5 s TYR 38 CO -0.07 -1.78 0.24 0.96 0.64 0.00 0.00 175.55 175.54 1fo5 s ILE 39 N 5.46 2.53 -0.33 3.14 -0.00 -0.62 -4.96 121.20 126.42 1fo5 s ILE 39 Ca 0.50 -3.23 -0.28 0.00 -0.00 0.00 0.00 60.65 57.64 1fo5 s ILE 39 Cb -0.10 -2.77 -0.03 0.00 -0.00 0.00 0.00 42.46 39.57 1fo5 s ILE 39 CO 0.27 -0.79 1.93 0.21 -0.00 0.00 0.00 174.94 176.56 1fo5 s ASN 40 N -0.19 5.68 -0.44 4.36 2.47 -1.26 -1.83 114.94 123.74 1fo5 s ASN 40 Ca 0.17 1.36 -0.41 0.00 0.42 0.00 0.00 52.86 54.40 1fo5 s ASN 40 Cb -0.25 -2.52 -0.16 0.00 -1.45 0.00 0.00 41.25 36.86 1fo5 s ASN 40 CO -0.01 -1.87 2.15 0.52 -3.72 0.00 0.00 177.10 174.18 1fo5 n VAL 41 N 7.51 0.08 0.03 -5.21 0.31 -0.16 -4.69 118.33 116.20 1fo5 n VAL 41 Ca 0.25 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1fo5 n VAL 41 Cb 0.47 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 7.72 0.00 -3.61 5.55 1.56 -1.26 -4.93 117.12 122.15 1fo5 n MET 42 Ca 0.49 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.64 1fo5 n MET 42 Cb 0.07 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.32 1fo5 n MET 42 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1fo5 s GLU 43 N -1.23 1.19 0.02 2.12 2.02 -1.26 -5.10 118.70 116.46 1fo5 s GLU 43 Ca 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 54.97 52.94 1fo5 s GLU 43 Cb 0.00 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 1fo5 s GLU 43 CO 0.00 -1.24 -0.03 -0.80 0.02 0.00 0.00 175.26 173.21 1fo5 s ASN 44 N 0.22 0.29 0.32 -0.19 -0.87 -1.26 -5.12 114.94 108.33 1fo5 s ASN 44 Ca 0.22 -0.43 -0.29 0.00 -1.57 0.00 0.00 52.86 50.79 1fo5 s ASN 44 Cb -0.15 0.08 -0.11 0.00 -0.02 0.00 0.00 41.25 41.05 1fo5 s ASN 44 CO -0.06 -0.24 1.47 -2.16 -2.57 0.00 0.00 177.10 173.54 1fo5 s PRO 45 N -1.26 4.19 0.00 -0.60 0.04 -1.26 -4.86 135.00 131.24 1fo5 s PRO 45 Ca -0.13 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1fo5 s PRO 45 Cb -0.09 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1fo5 s PRO 45 CO -0.01 -0.47 1.27 1.04 0.04 0.00 0.00 177.00 178.87 1fo5 n GLN 46 N 1.28 0.66 0.18 4.56 3.00 -1.26 -4.52 117.38 121.27 1fo5 n GLN 46 Ca 0.04 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.09 1fo5 n GLN 46 Cb 0.39 -1.17 0.56 0.00 0.00 0.00 0.00 30.24 30.02 1fo5 n GLN 46 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1fo5 h LYS 47 N 1.94 0.16 0.02 -1.09 -0.00 -2.00 0.22 116.57 115.82 1fo5 h LYS 47 Ca 0.00 -0.01 -0.31 0.00 -0.00 0.00 0.00 60.65 60.33 1fo5 h LYS 47 Cb 0.66 -0.04 -0.05 0.00 -0.00 0.00 0.00 32.23 32.81 1fo5 h LYS 47 CO 0.00 0.13 -1.84 0.00 -0.00 0.00 0.00 179.45 177.74 1fo5 n ALA 48 N -2.52 1.40 0.36 0.07 0.00 -1.26 -3.69 120.51 114.87 1fo5 n ALA 48 Ca -0.01 -0.80 0.04 0.00 0.00 0.00 0.00 53.44 52.67 1fo5 n ALA 48 Cb 0.10 -0.74 0.20 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.09 0.07 0.13 0.00 2.81 -0.65 -1.59 117.12 114.80 1fo5 n MET 49 Ca -0.21 0.27 -0.02 0.00 -1.81 0.00 0.00 57.70 55.92 1fo5 n MET 49 Cb 1.06 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 32.22 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 0.04 -7.28 0.03 4.11 -0.68 -3.44 114.58 107.36 1fo5 h GLU 50 Ca 0.00 -0.03 -0.45 0.00 0.07 0.00 0.00 59.36 58.95 1fo5 h GLU 50 Cb 0.11 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.54 1fo5 h GLU 50 CO 0.00 0.66 0.14 0.71 0.07 0.00 0.00 179.01 180.58 1fo5 s TYR 51 N -3.60 1.85 0.42 2.06 2.02 -0.62 -4.95 117.35 114.54 1fo5 s TYR 51 Ca -0.02 1.08 0.13 0.00 -0.37 0.00 0.00 57.07 57.90 1fo5 s TYR 51 Cb 0.12 -3.20 0.91 0.00 -0.40 0.00 0.00 41.96 39.40 1fo5 s TYR 51 CO 0.77 -3.21 1.95 0.78 -1.57 0.00 0.00 175.55 174.27 1fo5 h GLY 52 N -2.13 0.04 0.05 0.71 0.00 -1.90 -3.25 103.07 96.58 1fo5 h GLY 52 Ca -0.57 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1fo5 h GLY 52 CO 0.55 0.02 -0.20 1.19 0.00 0.00 0.00 176.54 178.10 1fo5 h ILE 53 N 0.03 0.00 0.00 2.60 6.09 -1.92 -3.44 117.51 120.87 1fo5 h ILE 53 Ca 0.01 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.50 1fo5 h ILE 53 Cb 0.39 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.68 1fo5 h ILE 53 CO 0.03 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.34 1fo5 n MET 54 N -3.59 0.00 -1.71 2.19 2.81 -1.23 -4.88 117.12 110.72 1fo5 n MET 54 Ca -0.03 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.49 1fo5 n MET 54 Cb 0.16 -0.62 -0.03 0.00 -0.71 0.00 0.00 33.22 32.02 1fo5 n MET 54 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fo5 s ALA 55 N 0.00 1.79 0.65 3.04 0.00 -1.26 -4.86 121.76 121.12 1fo5 s ALA 55 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 1fo5 s ALA 55 Cb 0.00 -4.34 -0.01 0.00 0.00 0.00 0.00 23.12 18.77 1fo5 s ALA 55 CO 0.00 -4.30 1.29 0.14 0.00 0.00 0.00 175.76 172.89 1fo5 s VAL 56 N 11.25 2.07 -0.30 0.00 -7.23 -1.26 -3.91 120.40 121.02 1fo5 s VAL 56 Ca 0.88 0.04 -0.29 0.00 -1.81 0.00 0.00 61.98 60.80 1fo5 s VAL 56 Cb -0.16 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 1fo5 s VAL 56 CO 0.24 -0.01 1.51 -2.16 -0.31 0.00 0.00 175.10 174.38 1fo5 s PRO 57 N -3.40 3.71 -0.30 4.82 0.04 -1.26 -4.98 135.00 133.63 1fo5 s PRO 57 Ca 0.82 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 1fo5 s PRO 57 Cb -0.37 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 1fo5 s PRO 57 CO 0.40 -1.39 0.35 0.99 0.04 0.00 0.00 177.00 177.39 1fo5 s THR 58 N 5.27 5.18 -0.15 1.26 2.01 0.23 -4.63 115.64 124.83 1fo5 s THR 58 Ca 0.66 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1fo5 s THR 58 Cb -0.20 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.60 1fo5 s THR 58 CO 0.29 0.05 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.53 1fo5 s ILE 59 N 2.02 1.42 -0.18 1.82 -1.09 -0.22 -0.91 121.20 124.06 1fo5 s ILE 59 Ca 0.13 -0.59 -0.08 0.00 -2.23 0.00 0.00 60.65 57.87 1fo5 s ILE 59 Cb -0.16 -1.39 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 1fo5 s ILE 59 CO 0.11 0.38 0.09 0.54 -1.23 0.00 0.00 174.94 174.83 1fo5 s VAL 60 N 1.54 5.08 0.23 2.92 0.11 -0.56 -0.42 120.40 129.30 1fo5 s VAL 60 Ca 0.04 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.21 1fo5 s VAL 60 Cb -0.13 -3.29 -0.05 0.00 -1.53 0.00 0.00 36.38 31.38 1fo5 s VAL 60 CO -0.10 0.47 -0.07 0.27 -3.33 0.00 0.00 175.10 172.35 1fo5 s ILE 61 N 0.19 1.42 0.00 7.04 -4.36 -0.85 -1.74 121.20 122.90 1fo5 s ILE 61 Ca 0.06 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1fo5 s ILE 61 Cb -0.12 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.34 1fo5 s ILE 61 CO -0.00 -0.43 0.00 -3.20 0.24 0.00 0.00 174.94 171.55 1fo5 n ASN 62 N -0.44 0.00 0.00 4.36 5.15 -1.20 -1.04 115.26 122.08 1fo5 n ASN 62 Ca -0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1fo5 n ASN 62 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1fo5 n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fo5 n GLY 63 N 0.00 0.95 3.72 8.20 0.00 -1.26 -1.62 105.19 115.19 1fo5 n GLY 63 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 6.70 0.31 1.61 1.01 -0.21 -5.01 116.67 121.07 1fo5 s ASP 64 Ca 0.00 0.83 -0.29 0.00 0.71 0.00 0.00 52.55 53.80 1fo5 s ASP 64 Cb 0.00 -2.29 -0.10 0.00 1.01 0.00 0.00 42.92 41.54 1fo5 s ASP 64 CO 0.00 -0.01 1.15 0.54 0.21 0.00 0.00 175.17 177.06 1fo5 s VAL 65 N 0.66 3.28 0.30 -1.27 0.11 -1.26 -2.01 120.40 120.22 1fo5 s VAL 65 Ca 0.27 1.26 -0.13 0.00 -2.93 0.00 0.00 61.98 60.45 1fo5 s VAL 65 Cb -0.15 -3.79 0.05 0.00 -1.53 0.00 0.00 36.38 30.95 1fo5 s VAL 65 CO 0.11 0.28 0.68 1.21 -3.33 0.00 0.00 175.10 174.05 1fo5 n GLU 66 N 0.97 0.88 -3.36 1.54 0.00 0.44 -4.94 120.64 116.18 1fo5 n GLU 66 Ca -0.00 -1.75 0.02 0.00 0.00 0.00 0.00 57.16 55.42 1fo5 n GLU 66 Cb 0.44 2.21 -0.03 0.00 0.00 0.00 0.00 31.44 34.06 1fo5 n GLU 66 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1fo5 s PHE 67 N -3.27 -1.13 -0.51 4.31 5.36 -1.26 -1.05 117.98 120.43 1fo5 s PHE 67 Ca 0.14 1.59 0.04 0.00 -0.96 0.00 0.00 56.93 57.74 1fo5 s PHE 67 Cb -0.04 0.54 0.17 0.00 -0.34 0.00 0.00 43.02 43.35 1fo5 s PHE 67 CO 0.09 -0.59 0.38 0.42 -1.46 0.00 0.00 175.22 174.06 1fo5 s ILE 68 N 2.78 1.23 0.00 3.12 1.01 -1.07 -5.02 121.20 123.26 1fo5 s ILE 68 Ca 0.03 -3.15 0.00 0.00 0.00 0.00 0.00 60.65 57.53 1fo5 s ILE 68 Cb -0.11 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1fo5 s ILE 68 CO -0.18 -1.13 0.00 0.61 0.00 0.00 0.00 174.94 174.24 1fo5 n GLY 69 N 2.64 1.50 0.42 6.18 0.00 -1.25 -4.32 105.19 110.35 1fo5 n GLY 69 Ca 0.25 -2.07 0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 2.52 -3.00 4.61 0.00 -2.00 -3.36 119.26 118.03 1fo5 h ALA 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fo5 h ALA 70 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fo5 h ALA 70 CO 0.00 -0.83 0.00 -0.35 0.00 0.00 0.00 179.25 178.07 1fo5 n PRO 71 N -4.13 0.00 0.00 0.00 -0.04 -1.26 -4.98 135.00 124.59 1fo5 n PRO 71 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1fo5 n PRO 71 Cb 0.75 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.21 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 -0.15 0.52 -2.24 -1.26 -4.82 114.28 106.33 1fo5 n THR 72 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1fo5 n THR 72 Cb 0.00 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.47 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 3.25 -0.32 -0.78 4.81 -1.26 -2.58 118.16 121.28 1fo5 n LYS 73 Ca 0.00 -1.89 0.16 0.00 -0.87 0.00 0.00 58.31 55.71 1fo5 n LYS 73 Cb 0.00 -1.95 0.33 0.00 0.02 0.00 0.00 35.03 33.43 1fo5 n LYS 73 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1fo5 h GLU 74 N 2.29 0.06 -0.46 1.64 3.07 -1.96 0.49 114.58 119.71 1fo5 h GLU 74 Ca 0.02 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1fo5 h GLU 74 Cb 1.44 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 29.25 1fo5 h GLU 74 CO 0.32 0.04 -0.08 0.00 -1.40 0.00 0.00 179.01 177.89 1fo5 h ALA 75 N 1.92 0.34 0.00 3.43 0.00 -1.88 -1.62 119.26 121.45 1fo5 h ALA 75 Ca 0.61 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.64 1fo5 h ALA 75 Cb 1.32 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1fo5 h ALA 75 CO -0.82 -0.43 -0.69 1.25 0.00 0.00 0.00 179.25 178.56 1fo5 h LEU 76 N 0.03 0.00 -0.96 0.00 7.12 -1.36 -3.23 115.31 116.91 1fo5 h LEU 76 Ca 0.22 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.30 1fo5 h LEU 76 Cb 0.34 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.40 1fo5 h LEU 76 CO -0.45 0.19 0.61 0.58 -0.13 0.00 0.00 178.44 179.24 1fo5 h VAL 77 N 0.00 1.06 -0.15 1.05 2.07 -0.39 0.00 116.25 119.90 1fo5 h VAL 77 Ca -0.03 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1fo5 h VAL 77 Cb 1.17 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1fo5 h VAL 77 CO 0.02 0.20 0.11 -0.08 0.02 0.00 0.00 177.57 177.84 1fo5 h GLU 78 N 1.10 0.00 0.00 1.57 4.22 -1.33 -1.81 114.58 118.34 1fo5 h GLU 78 Ca 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.86 1fo5 h GLU 78 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1fo5 h GLU 78 CO -0.18 0.00 -0.00 0.00 -2.18 0.00 0.00 179.01 176.65 1fo5 h ALA 79 N 1.91 -0.00 -0.74 2.92 0.00 -1.17 -3.10 119.26 119.09 1fo5 h ALA 79 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1fo5 h ALA 79 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1fo5 h ALA 79 CO -0.00 -0.06 0.46 -0.84 0.00 0.00 0.00 179.25 178.81 1fo5 h ILE 80 N -0.88 1.20 -0.48 0.00 3.07 -0.92 0.09 117.51 119.58 1fo5 h ILE 80 Ca -0.00 -0.41 -0.06 0.00 1.55 0.00 0.00 64.86 65.94 1fo5 h ILE 80 Cb 0.87 0.14 -0.02 0.00 -0.27 0.00 0.00 36.82 37.54 1fo5 h ILE 80 CO 0.00 0.20 0.06 0.07 -1.05 0.00 0.00 178.15 177.43 1fo5 h LYS 81 N 1.01 0.77 0.00 0.16 2.10 -1.47 -2.98 116.57 116.15 1fo5 h LYS 81 Ca 0.27 -0.18 -0.03 0.00 -2.00 0.00 0.00 60.65 58.71 1fo5 h LYS 81 Cb -0.07 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.15 1fo5 h LYS 81 CO -0.05 0.74 -0.14 1.57 -2.00 0.00 0.00 179.45 179.56 1fo5 h LYS 82 N 0.73 0.00 0.00 0.07 5.09 -1.14 -3.48 116.57 117.84 1fo5 h LYS 82 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.89 1fo5 h LYS 82 Cb 0.36 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.69 1fo5 h LYS 82 CO 0.01 0.14 0.00 0.54 -2.09 0.00 0.00 179.45 178.05 1fo5 n ARG 83 N -3.14 0.00 0.00 0.07 5.12 -0.10 -5.10 116.66 113.50 1fo5 n ARG 83 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1fo5 n ARG 83 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 1fo5 n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59