#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 -1.48 -3.99 6.12 7.64 -1.26 -4.98 113.62 115.67 1fo5 n SER 1 Ca 0.00 -0.99 -0.08 0.00 1.01 0.00 0.00 58.87 58.81 1fo5 n SER 1 Cb 0.00 -3.05 -0.10 0.00 -1.01 0.00 0.00 64.21 60.06 1fo5 n SER 1 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1fo5 s LYS 2 N -6.66 0.58 0.16 1.43 -2.85 -1.26 -5.11 119.74 106.04 1fo5 s LYS 2 Ca 0.26 -0.94 -0.31 0.00 -1.00 0.00 0.00 55.97 53.98 1fo5 s LYS 2 Cb -0.14 0.22 -0.09 0.00 -2.06 0.00 0.00 37.83 35.76 1fo5 s LYS 2 CO 0.89 -0.13 1.49 0.08 0.10 0.00 0.00 175.35 177.78 1fo5 s VAL 3 N -3.08 2.85 0.03 1.79 1.01 0.63 -4.91 120.40 118.72 1fo5 s VAL 3 Ca -0.01 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1fo5 s VAL 3 Cb 0.02 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1fo5 s VAL 3 CO -0.07 0.06 0.05 -0.54 0.00 0.00 0.00 175.10 174.60 1fo5 s LYS 4 N 0.84 2.87 -0.03 2.72 3.01 -0.27 -0.55 119.74 128.34 1fo5 s LYS 4 Ca 0.66 -0.62 0.02 0.00 -1.01 0.00 0.00 55.97 55.02 1fo5 s LYS 4 Cb -0.41 -2.73 0.01 0.00 -1.01 0.00 0.00 37.83 33.69 1fo5 s LYS 4 CO 0.33 0.61 -0.07 0.42 0.51 0.00 0.00 175.35 177.14 1fo5 s ILE 5 N -1.23 0.67 0.02 2.17 -1.09 0.02 -1.76 121.20 120.00 1fo5 s ILE 5 Ca 0.24 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1fo5 s ILE 5 Cb -0.12 -0.62 -0.02 0.00 -1.58 0.00 0.00 42.46 40.13 1fo5 s ILE 5 CO 0.16 0.22 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.34 1fo5 s GLU 6 N 0.35 0.97 -0.68 2.79 2.02 -0.57 -1.30 118.70 122.28 1fo5 s GLU 6 Ca -0.05 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.33 1fo5 s GLU 6 Cb -0.09 -0.97 0.18 0.00 0.10 0.00 0.00 34.13 33.35 1fo5 s GLU 6 CO 0.00 0.25 0.52 1.28 0.02 0.00 0.00 175.26 177.33 1fo5 n LEU 7 N 2.18 2.89 -4.47 1.80 7.99 0.36 -1.25 117.00 126.50 1fo5 n LEU 7 Ca -0.17 -5.19 -0.44 0.00 -0.01 0.00 0.00 56.01 50.20 1fo5 n LEU 7 Cb 0.55 -0.65 -0.00 0.00 -0.11 0.00 0.00 43.42 43.21 1fo5 n LEU 7 CO 0.23 1.81 1.44 0.12 -1.51 0.00 0.00 177.39 179.48 1fo5 s PHE 8 N -1.51 3.45 0.11 -1.77 2.19 -0.34 -1.59 117.98 118.52 1fo5 s PHE 8 Ca 0.27 -2.10 -0.15 0.00 0.33 0.00 0.00 56.93 55.28 1fo5 s PHE 8 Cb -0.01 -4.35 0.03 0.00 -1.31 0.00 0.00 43.02 37.38 1fo5 s PHE 8 CO -0.15 -1.43 0.36 0.99 1.83 0.00 0.00 175.22 176.82 1fo5 s THR 9 N 1.76 0.08 -0.25 0.12 2.01 -1.20 -1.49 115.64 116.68 1fo5 s THR 9 Ca 0.44 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 1fo5 s THR 9 Cb -0.02 -1.17 0.11 0.00 0.01 0.00 0.00 72.50 71.43 1fo5 s THR 9 CO 0.01 -0.37 0.25 -0.55 -0.69 0.00 0.00 174.62 173.26 1fo5 s SER 10 N -2.72 1.69 -0.14 3.53 0.15 -1.26 -1.73 113.70 113.21 1fo5 s SER 10 Ca 0.02 -0.53 -0.29 0.00 0.70 0.00 0.00 55.95 55.85 1fo5 s SER 10 Cb 0.02 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.70 1fo5 s SER 10 CO -0.11 -0.36 1.14 -2.16 1.20 0.00 0.00 173.24 172.94 1fo5 s PRO 11 N 2.32 4.31 -0.87 5.44 0.04 -1.26 -4.90 135.00 140.09 1fo5 s PRO 11 Ca 0.08 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.47 1fo5 s PRO 11 Cb -0.15 -3.63 0.14 0.00 0.04 0.00 0.00 34.50 30.90 1fo5 s PRO 11 CO -0.23 -0.54 1.01 1.41 0.04 0.00 0.00 177.00 178.70 1fo5 s MET 12 N 2.78 3.52 0.00 4.56 1.75 -1.26 -4.49 119.30 126.16 1fo5 s MET 12 Ca 0.51 -1.80 0.00 0.00 -1.25 0.00 0.00 55.69 53.15 1fo5 s MET 12 Cb -0.20 -4.73 0.00 0.00 2.84 0.00 0.00 34.83 32.74 1fo5 s MET 12 CO 0.15 -1.67 0.00 0.00 -0.65 0.00 0.00 175.02 172.85 1fo5 n PRO 14 N 0.00 3.51 -1.69 0.00 -0.04 -1.26 -4.90 135.00 130.62 1fo5 n PRO 14 Ca 0.00 -2.10 -0.43 0.00 -0.04 0.00 0.00 63.50 60.93 1fo5 n PRO 14 Cb 0.00 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 30.75 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 1.82 1.31 0.30 0.54 3.76 -1.26 -4.77 115.29 116.98 1fo5 s HIS 15 Ca 0.69 0.47 0.10 0.00 -0.15 0.00 0.00 55.06 56.17 1fo5 s HIS 15 Cb 0.20 -3.99 -0.06 0.00 1.11 0.00 0.00 32.58 29.85 1fo5 s HIS 15 CO -0.06 -3.99 -0.13 0.00 -0.85 0.00 0.00 174.74 169.71 1fo5 h PRO 17 N 2.20 0.00 0.00 0.00 0.13 -2.01 -3.45 132.00 128.86 1fo5 h PRO 17 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1fo5 h PRO 17 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1fo5 h PRO 17 CO 0.65 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1fo5 n ALA 18 N -2.14 0.00 -0.21 -0.56 0.00 -1.26 -0.75 120.51 115.60 1fo5 n ALA 18 Ca -0.03 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.65 1fo5 n ALA 18 Cb 0.11 0.00 0.61 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 -0.15 2.48 0.84 0.00 0.00 -1.96 -0.77 119.26 119.70 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 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1fo5 h ALA 19 CO 0.00 -0.76 -0.45 0.87 0.00 0.00 0.00 179.25 178.91 1fo5 h LYS 20 N 0.22 -1.14 0.02 0.00 6.56 -1.32 0.79 116.57 121.70 1fo5 h LYS 20 Ca 0.45 0.08 -0.00 0.00 -1.06 0.00 0.00 60.65 60.11 1fo5 h LYS 20 Cb 1.40 0.26 0.00 0.00 -0.57 0.00 0.00 32.23 33.32 1fo5 h LYS 20 CO -0.10 -0.76 -0.01 0.00 -2.06 0.00 0.00 179.45 176.51 1fo5 h ARG 21 N -1.19 -0.03 -0.57 3.15 3.08 -1.57 -1.58 114.38 115.67 1fo5 h ARG 21 Ca -0.11 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 1fo5 h ARG 21 Cb 0.93 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1fo5 h ARG 21 CO 0.16 0.06 -0.02 0.28 -1.07 0.00 0.00 179.97 179.37 1fo5 h VAL 22 N -0.11 1.27 -0.32 2.04 2.07 -1.07 0.19 116.25 120.32 1fo5 h VAL 22 Ca -0.00 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1fo5 h VAL 22 Cb 0.10 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1fo5 h VAL 22 CO 0.01 0.42 0.14 1.62 0.02 0.00 0.00 177.57 179.77 1fo5 h VAL 23 N 0.90 1.17 -0.71 2.57 3.04 -0.88 -1.86 116.25 120.48 1fo5 h VAL 23 Ca 0.16 -0.51 0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1fo5 h VAL 23 Cb 0.57 0.92 -0.04 0.00 -2.01 0.00 0.00 31.29 30.73 1fo5 h VAL 23 CO 0.03 0.18 0.45 -0.08 -1.01 0.00 0.00 177.57 177.14 1fo5 h GLU 24 N 0.37 0.85 0.39 4.17 4.81 -0.33 0.31 114.58 125.15 1fo5 h GLU 24 Ca 0.11 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1fo5 h GLU 24 Cb 0.16 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1fo5 h GLU 24 CO -0.01 0.56 -0.19 1.49 -0.73 0.00 0.00 179.01 180.13 1fo5 h GLU 25 N 0.88 -0.51 0.00 1.92 4.57 -0.60 -0.90 114.58 119.94 1fo5 h GLU 25 Ca 0.29 0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.39 1fo5 h GLU 25 Cb 0.01 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1fo5 h GLU 25 CO -0.11 -0.25 -0.53 -0.39 -1.18 0.00 0.00 179.01 176.55 1fo5 h VAL 26 N -0.69 1.30 0.00 0.32 -1.51 -1.03 -2.69 116.25 111.95 1fo5 h VAL 26 Ca -0.05 -1.88 -0.09 0.00 -1.23 0.00 0.00 66.70 63.45 1fo5 h VAL 26 Cb 0.49 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1fo5 h VAL 26 CO 0.09 0.52 -0.43 0.00 -1.23 0.00 0.00 177.57 176.52 1fo5 h ALA 27 N 1.47 1.09 -1.00 5.19 0.00 -0.36 0.27 119.26 125.90 1fo5 h ALA 27 Ca -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1fo5 h ALA 27 Cb 0.99 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1fo5 h ALA 27 CO 0.07 0.54 0.65 -0.97 0.00 0.00 0.00 179.25 179.54 1fo5 h ASN 28 N 0.00 1.06 0.03 0.00 -0.73 -0.81 -2.06 115.58 113.07 1fo5 h ASN 28 Ca -0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1fo5 h ASN 28 Cb 0.87 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.23 1fo5 h ASN 28 CO 0.06 0.69 -0.01 -0.33 -0.37 0.00 0.00 177.43 177.47 1fo5 h GLU 29 N 1.21 -0.04 -2.33 6.67 4.39 -1.35 -3.44 114.58 119.69 1fo5 h GLU 29 Ca 0.42 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.57 1fo5 h GLU 29 Cb 0.11 0.01 -0.37 0.00 -0.10 0.00 0.00 28.75 28.40 1fo5 h GLU 29 CO -0.16 0.66 -0.91 -1.64 -1.16 0.00 0.00 179.01 175.81 1fo5 s MET 30 N -2.80 0.81 0.00 2.33 -1.94 0.88 -5.01 119.30 113.56 1fo5 s MET 30 Ca -0.16 -1.81 0.02 0.00 -1.71 0.00 0.00 55.69 52.04 1fo5 s MET 30 Cb -0.01 -1.28 0.10 0.00 2.01 0.00 0.00 34.83 35.65 1fo5 s MET 30 CO 0.59 -1.33 0.54 -0.35 -0.01 0.00 0.00 175.02 174.45 1fo5 n PRO 31 N 3.21 0.44 0.00 2.03 -0.04 -0.79 -3.15 135.00 136.70 1fo5 n PRO 31 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1fo5 n PRO 31 Cb 0.46 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.56 0.00 0.00 3.54 2.03 -1.26 -4.85 116.55 115.45 1fo5 n ASP 32 Ca 0.01 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.38 1fo5 n ASP 32 Cb 0.01 0.02 0.28 0.00 -0.72 0.00 0.00 41.12 40.70 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 -1.57 1.66 -1.82 -1.67 0.00 -1.25 -4.63 120.51 111.23 1fo5 n ALA 33 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1fo5 n ALA 33 Cb 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.64 4.26 0.00 0.00 1.01 -1.19 -0.27 120.40 121.58 1fo5 s VAL 34 Ca 0.10 1.75 0.08 0.00 0.00 0.00 0.00 61.98 63.90 1fo5 s VAL 34 Cb 0.08 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1fo5 s VAL 34 CO 0.18 0.12 -0.24 -0.70 0.00 0.00 0.00 175.10 174.46 1fo5 s GLU 35 N -2.11 1.80 -0.05 2.72 -6.30 0.28 -4.92 118.70 110.12 1fo5 s GLU 35 Ca 0.50 -0.91 0.01 0.00 -2.50 0.00 0.00 54.97 52.07 1fo5 s GLU 35 Cb -0.18 -1.82 0.02 0.00 0.00 0.00 0.00 34.13 32.16 1fo5 s GLU 35 CO 0.23 0.49 -0.07 0.14 0.02 0.00 0.00 175.26 176.07 1fo5 s VAL 36 N -0.64 0.75 -0.38 3.70 -7.23 -1.26 -0.80 120.40 114.54 1fo5 s VAL 36 Ca 0.09 -0.24 0.04 0.00 -1.81 0.00 0.00 61.98 60.06 1fo5 s VAL 36 Cb -0.09 -0.74 0.11 0.00 0.56 0.00 0.00 36.38 36.22 1fo5 s VAL 36 CO 0.00 0.27 0.10 -1.61 -0.31 0.00 0.00 175.10 173.56 1fo5 s GLU 37 N 0.90 1.53 -0.88 4.82 2.02 -0.42 -5.00 118.70 121.67 1fo5 s GLU 37 Ca -0.11 -1.99 -0.21 0.00 0.02 0.00 0.00 54.97 52.68 1fo5 s GLU 37 Cb -0.15 -3.12 0.09 0.00 0.10 0.00 0.00 34.13 31.05 1fo5 s GLU 37 CO 0.01 -0.99 1.19 -0.47 0.02 0.00 0.00 175.26 175.02 1fo5 s TYR 38 N 0.68 2.80 -0.53 1.61 5.04 -1.26 -0.49 117.35 125.19 1fo5 s TYR 38 Ca 0.12 -0.95 0.01 0.00 -2.44 0.00 0.00 57.07 53.81 1fo5 s TYR 38 Cb -0.21 -4.42 0.14 0.00 0.35 0.00 0.00 41.96 37.82 1fo5 s TYR 38 CO -0.07 -1.69 0.30 0.96 -1.34 0.00 0.00 175.55 173.71 1fo5 s ILE 39 N 3.85 3.08 0.06 3.14 -0.00 -0.62 -4.98 121.20 125.72 1fo5 s ILE 39 Ca 0.34 -2.93 -0.31 0.00 -0.00 0.00 0.00 60.65 57.75 1fo5 s ILE 39 Cb -0.06 -3.08 -0.08 0.00 -0.00 0.00 0.00 42.46 39.23 1fo5 s ILE 39 CO -0.03 -0.80 1.70 0.54 -0.00 0.00 0.00 174.94 176.35 1fo5 s ASN 40 N 0.46 6.57 -0.09 4.36 4.22 -1.26 -3.27 114.94 125.93 1fo5 s ASN 40 Ca 0.15 2.51 -0.29 0.00 -2.14 0.00 0.00 52.86 53.09 1fo5 s ASN 40 Cb -0.23 -2.56 -0.06 0.00 1.28 0.00 0.00 41.25 39.69 1fo5 s ASN 40 CO -0.03 -0.92 1.81 -0.69 -2.04 0.00 0.00 177.10 175.23 1fo5 s VAL 41 N 2.94 3.37 0.02 3.54 1.01 -0.71 -4.09 120.40 126.49 1fo5 s VAL 41 Ca 0.76 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1fo5 s VAL 41 Cb -0.40 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1fo5 s VAL 41 CO 0.33 -0.09 0.00 0.23 0.00 0.00 0.00 175.10 175.57 1fo5 n MET 42 N 7.59 0.00 -2.73 2.72 2.00 -1.26 -4.46 117.12 120.98 1fo5 n MET 42 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.80 1fo5 n MET 42 Cb 0.43 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.69 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 -2.49 1.13 -4.00 0.03 2.13 -1.26 -5.09 120.64 111.08 1fo5 n GLU 43 Ca 0.00 -3.00 -0.09 0.00 0.66 0.00 0.00 57.16 54.72 1fo5 n GLU 43 Cb 0.00 -1.10 -0.11 0.00 0.27 0.00 0.00 31.44 30.50 1fo5 n GLU 43 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1fo5 s ASN 44 N -2.69 0.35 0.22 4.31 0.01 -1.26 -5.09 114.94 110.78 1fo5 s ASN 44 Ca 0.28 -0.56 -0.30 0.00 -0.71 0.00 0.00 52.86 51.56 1fo5 s ASN 44 Cb 0.43 0.10 -0.09 0.00 0.41 0.00 0.00 41.25 42.10 1fo5 s ASN 44 CO 0.00 -0.32 1.36 -2.16 -1.51 0.00 0.00 177.10 174.47 1fo5 s PRO 45 N -1.76 4.34 0.00 -0.60 0.04 -1.26 -4.90 135.00 130.86 1fo5 s PRO 45 Ca -0.13 2.15 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1fo5 s PRO 45 Cb -0.08 -3.16 0.30 0.00 0.04 0.00 0.00 34.50 31.60 1fo5 s PRO 45 CO -0.02 -0.31 0.80 1.04 0.04 0.00 0.00 177.00 178.55 1fo5 n GLN 46 N 2.48 0.53 -0.22 4.56 6.02 -1.26 -3.31 117.38 126.18 1fo5 n GLN 46 Ca 0.06 0.00 0.27 0.00 -0.01 0.00 0.00 57.00 57.32 1fo5 n GLN 46 Cb 0.42 -1.15 0.66 0.00 1.02 0.00 0.00 30.24 31.19 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 0.12 0.08 -1.09 5.09 -1.99 0.27 116.57 119.05 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 0.00 -0.03 -0.03 0.00 0.10 0.00 0.00 32.23 32.27 1fo5 h LYS 47 CO 0.00 0.08 -2.02 0.00 -2.09 0.00 0.00 179.45 175.41 1fo5 n ALA 48 N -2.66 0.98 0.69 0.07 0.00 -1.21 -4.54 120.51 113.84 1fo5 n ALA 48 Ca 0.20 -0.69 0.06 0.00 0.00 0.00 0.00 53.44 53.01 1fo5 n ALA 48 Cb 0.93 -0.53 0.33 0.00 0.00 0.00 0.00 19.45 20.18 1fo5 n ALA 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1fo5 n MET 49 N -3.58 0.33 0.00 0.00 1.56 -0.40 -4.33 117.12 110.70 1fo5 n MET 49 Ca -0.35 0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.10 1fo5 n MET 49 Cb 0.99 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.86 1fo5 n MET 49 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1fo5 n GLU 50 N -1.04 3.00 0.00 2.12 0.28 0.82 -4.35 120.64 121.47 1fo5 n GLU 50 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1fo5 n GLU 50 Cb 0.05 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.92 1fo5 n GLU 50 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1fo5 n TYR 51 N 0.00 -1.42 -1.87 -1.84 4.01 -1.26 -3.84 117.16 110.94 1fo5 n TYR 51 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1fo5 n TYR 51 Cb 0.00 0.17 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1fo5 n TYR 51 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1fo5 s GLY 52 N -3.78 1.64 -1.05 2.72 0.00 -1.26 -4.27 107.32 101.32 1fo5 s GLY 52 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.28 1fo5 s GLY 52 CO 0.00 0.09 0.66 4.51 0.00 0.00 0.00 173.10 178.37 1fo5 n ILE 53 N -2.92 -3.45 0.27 0.90 0.13 -1.26 -4.88 119.36 108.14 1fo5 n ILE 53 Ca 0.07 -0.41 0.15 0.00 -1.10 0.00 0.00 62.75 61.46 1fo5 n ILE 53 Cb 0.56 -2.85 0.70 0.00 -0.84 0.00 0.00 39.64 37.21 1fo5 n ILE 53 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 1fo5 h MET 54 N -1.63 0.00 0.00 9.51 2.86 -1.74 -3.14 114.93 120.79 1fo5 h MET 54 Ca -0.66 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 56.98 1fo5 h MET 54 Cb 1.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.05 1fo5 h MET 54 CO 0.45 0.09 0.00 0.00 1.06 0.00 0.00 176.91 178.52 1fo5 n ALA 55 N -2.18 2.03 -0.72 6.32 0.00 -1.26 -4.91 120.51 119.79 1fo5 n ALA 55 Ca -0.01 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1fo5 n ALA 55 Cb 0.29 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 1fo5 n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fo5 n VAL 56 N -0.96 -0.29 -2.30 0.00 0.31 -1.19 -4.98 118.33 108.93 1fo5 n VAL 56 Ca 0.10 0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 64.39 1fo5 n VAL 56 Cb 0.05 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 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 -3.24 4.32 -0.64 5.55 0.04 -1.26 -5.05 135.00 134.71 1fo5 s PRO 57 Ca 0.00 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 1fo5 s PRO 57 Cb 0.00 -3.53 0.12 0.00 0.04 0.00 0.00 34.50 31.13 1fo5 s PRO 57 CO 0.00 -0.50 0.73 0.99 0.04 0.00 0.00 177.00 178.25 1fo5 s THR 58 N 2.14 4.94 -0.18 1.26 2.01 -0.55 -4.22 115.64 121.03 1fo5 s THR 58 Ca 0.61 -1.26 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1fo5 s THR 58 Cb -0.30 -4.50 0.02 0.00 0.01 0.00 0.00 72.50 67.73 1fo5 s THR 58 CO 0.26 -1.12 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.24 1fo5 s ILE 59 N 2.30 2.14 -0.18 1.82 -1.09 -0.53 -1.20 121.20 124.47 1fo5 s ILE 59 Ca 0.13 -0.91 -0.14 0.00 -2.23 0.00 0.00 60.65 57.49 1fo5 s ILE 59 Cb -0.22 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 1fo5 s ILE 59 CO 0.03 0.53 0.33 -0.69 -1.23 0.00 0.00 174.94 173.91 1fo5 s VAL 60 N 1.26 5.27 0.01 2.92 1.01 -0.38 -1.39 120.40 129.10 1fo5 s VAL 60 Ca 0.04 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.68 1fo5 s VAL 60 Cb -0.13 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1fo5 s VAL 60 CO -0.12 0.33 -0.21 0.27 0.00 0.00 0.00 175.10 175.38 1fo5 s ILE 61 N 0.82 1.69 0.00 2.22 -4.36 -0.06 -1.51 121.20 120.00 1fo5 s ILE 61 Ca 0.17 -1.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.52 1fo5 s ILE 61 Cb -0.14 -1.43 0.00 0.00 1.25 0.00 0.00 42.46 42.14 1fo5 s ILE 61 CO 0.06 0.36 0.00 -3.20 0.24 0.00 0.00 174.94 172.40 1fo5 n ASN 62 N 2.24 0.00 0.00 4.36 5.15 -0.72 -1.40 115.26 124.89 1fo5 n ASN 62 Ca -0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1fo5 n ASN 62 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 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 0.00 3.93 8.20 0.00 -1.23 -1.11 105.19 114.98 1fo5 n GLY 63 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 6.21 -0.11 1.61 1.01 -0.49 -5.03 116.67 119.86 1fo5 s ASP 64 Ca 0.00 0.64 0.03 0.00 0.71 0.00 0.00 52.55 53.93 1fo5 s ASP 64 Cb 0.00 -2.06 0.01 0.00 1.01 0.00 0.00 42.92 41.88 1fo5 s ASP 64 CO 0.00 -0.48 -0.21 0.68 0.21 0.00 0.00 175.17 175.37 1fo5 s VAL 65 N -2.54 1.88 0.30 -1.27 -7.23 -1.26 -0.88 120.40 109.40 1fo5 s VAL 65 Ca 0.44 -0.90 -0.20 0.00 -1.81 0.00 0.00 61.98 59.52 1fo5 s VAL 65 Cb -0.10 -1.66 0.04 0.00 0.56 0.00 0.00 36.38 35.22 1fo5 s VAL 65 CO 0.40 0.52 0.78 -0.70 -0.31 0.00 0.00 175.10 175.79 1fo5 s GLU 66 N 0.64 1.87 0.10 4.82 2.56 -0.49 -4.98 118.70 123.22 1fo5 s GLU 66 Ca -0.12 -1.11 0.04 0.00 0.00 0.00 0.00 54.97 53.77 1fo5 s GLU 66 Cb -0.16 0.59 -0.04 0.00 2.00 0.00 0.00 34.13 36.52 1fo5 s GLU 66 CO 0.03 -0.87 -0.10 -0.59 -0.56 0.00 0.00 175.26 173.17 1fo5 s PHE 67 N -3.24 1.07 -0.02 5.30 -0.71 -1.26 -1.45 117.98 117.67 1fo5 s PHE 67 Ca 0.13 -0.66 -0.01 0.00 -1.04 0.00 0.00 56.93 55.35 1fo5 s PHE 67 Cb -0.05 -0.59 0.01 0.00 -1.21 0.00 0.00 43.02 41.19 1fo5 s PHE 67 CO 0.08 0.00 0.05 0.42 -1.34 0.00 0.00 175.22 174.43 1fo5 s ILE 68 N -2.48 -0.02 0.02 -4.49 -1.09 -1.26 -5.06 121.20 106.82 1fo5 s ILE 68 Ca 0.06 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1fo5 s ILE 68 Cb -0.03 -0.09 0.00 0.00 -1.58 0.00 0.00 42.46 40.77 1fo5 s ILE 68 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 1fo5 n GLY 69 N 3.49 -1.65 0.07 6.18 0.00 -1.26 -4.29 105.19 107.73 1fo5 n GLY 69 Ca -0.18 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.47 0.31 -3.18 4.61 0.00 -1.99 -3.47 119.26 115.08 1fo5 h ALA 70 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1fo5 h ALA 70 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1fo5 h ALA 70 CO 0.00 1.19 0.00 -0.35 0.00 0.00 0.00 179.25 180.09 1fo5 n PRO 71 N -3.40 0.71 -0.59 0.00 -0.04 -1.26 -4.71 135.00 125.72 1fo5 n PRO 71 Ca -0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 1fo5 n PRO 71 Cb 0.95 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.67 1fo5 n PRO 71 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1fo5 s THR 72 N -0.11 1.53 -0.85 0.52 -4.23 -1.26 -4.56 115.64 106.68 1fo5 s THR 72 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1fo5 s THR 72 Cb 0.00 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1fo5 s THR 72 CO 0.00 0.00 0.50 1.17 -0.54 0.00 0.00 174.62 175.75 1fo5 n LYS 73 N -5.23 0.86 -0.25 3.99 3.00 -1.26 -4.53 118.16 114.75 1fo5 n LYS 73 Ca 0.09 0.00 0.23 0.00 -0.00 0.00 0.00 58.31 58.64 1fo5 n LYS 73 Cb 0.58 -1.38 0.43 0.00 0.00 0.00 0.00 35.03 34.66 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 0.14 -0.05 0.12 1.64 4.71 -1.26 -0.76 120.64 125.18 1fo5 n GLU 74 Ca 0.00 1.08 -0.09 0.00 -0.01 0.00 0.00 57.16 58.13 1fo5 n GLU 74 Cb 0.25 -1.91 -0.05 0.00 -1.01 0.00 0.00 31.44 28.72 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 1.54 -0.90 0.00 0.62 0.00 -1.89 -1.44 119.26 117.19 1fo5 h ALA 75 Ca 0.63 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.39 1fo5 h ALA 75 Cb 1.64 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 1fo5 h ALA 75 CO -0.61 -0.93 -0.34 1.25 0.00 0.00 0.00 179.25 178.61 1fo5 h LEU 76 N -0.48 0.00 -1.28 0.00 7.12 -1.56 -2.69 115.31 116.42 1fo5 h LEU 76 Ca -0.02 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.95 1fo5 h LEU 76 Cb 0.44 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 1fo5 h LEU 76 CO -0.08 0.34 0.07 0.58 -0.13 0.00 0.00 178.44 179.22 1fo5 h VAL 77 N 0.00 1.18 0.00 1.05 2.07 -0.78 0.13 116.25 119.91 1fo5 h VAL 77 Ca -0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1fo5 h VAL 77 Cb 0.68 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1fo5 h VAL 77 CO 0.04 0.24 0.00 -0.33 0.02 0.00 0.00 177.57 177.54 1fo5 h GLU 78 N 0.55 0.00 0.03 1.57 5.08 -0.90 -1.38 114.58 119.53 1fo5 h GLU 78 Ca 0.13 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 1fo5 h GLU 78 Cb 0.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1fo5 h GLU 78 CO -0.00 0.00 -1.49 0.00 -1.00 0.00 0.00 179.01 176.52 1fo5 n ALA 79 N -1.88 0.83 0.29 3.43 0.00 0.33 -4.12 120.51 119.40 1fo5 n ALA 79 Ca -0.01 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.04 1fo5 n ALA 79 Cb 0.10 -0.55 0.90 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.77 0.50 -0.26 0.00 3.07 -0.98 -1.67 117.51 117.39 1fo5 h ILE 80 Ca -0.38 -0.09 -0.02 0.00 1.55 0.00 0.00 64.86 65.91 1fo5 h ILE 80 Cb 1.48 1.06 -0.01 0.00 -0.27 0.00 0.00 36.82 39.08 1fo5 h ILE 80 CO -0.16 0.02 0.08 0.07 -1.05 0.00 0.00 178.15 177.12 1fo5 h LYS 81 N 0.00 0.41 0.01 0.16 2.10 -1.43 -3.37 116.57 114.46 1fo5 h LYS 81 Ca -0.00 -0.09 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 1fo5 h LYS 81 Cb 0.06 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1fo5 h LYS 81 CO 0.00 0.48 -0.68 1.57 -2.00 0.00 0.00 179.45 178.82 1fo5 h LYS 82 N 0.26 0.02 0.00 0.07 5.09 -1.55 -3.45 116.57 117.01 1fo5 h LYS 82 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.79 1fo5 h LYS 82 Cb 0.24 0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.58 1fo5 h LYS 82 CO -0.00 1.02 0.00 0.54 -2.09 0.00 0.00 179.45 178.91 1fo5 n ARG 83 N -4.48 0.00 0.00 0.07 1.74 -0.69 -5.14 116.66 108.16 1fo5 n ARG 83 Ca -0.21 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.01 1fo5 n ARG 83 Cb 0.60 0.00 0.83 0.00 -1.02 0.00 0.00 32.46 32.87 1fo5 n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39