#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 -3.01 -4.10 6.12 7.64 -1.26 -5.07 113.62 113.94 1fo5 n SER 1 Ca 0.00 0.39 -0.33 0.00 1.01 0.00 0.00 58.87 59.95 1fo5 n SER 1 Cb 0.00 -2.20 -0.15 0.00 -1.01 0.00 0.00 64.21 60.85 1fo5 n SER 1 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1fo5 s LYS 2 N -0.59 2.36 -0.25 1.43 2.20 -1.26 -4.76 119.74 118.87 1fo5 s LYS 2 Ca -0.03 -1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 54.02 1fo5 s LYS 2 Cb 0.00 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 1fo5 s LYS 2 CO 0.22 -0.55 1.77 0.08 -0.36 0.00 0.00 175.35 176.51 1fo5 s VAL 3 N 1.16 3.50 0.03 4.02 1.01 0.47 -4.94 120.40 125.64 1fo5 s VAL 3 Ca -0.07 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1fo5 s VAL 3 Cb -0.19 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1fo5 s VAL 3 CO -0.05 -0.30 1.03 -0.54 0.00 0.00 0.00 175.10 175.25 1fo5 s LYS 4 N 5.20 4.55 0.05 2.72 3.01 -0.66 -1.63 119.74 132.98 1fo5 s LYS 4 Ca 0.79 1.50 0.08 0.00 -1.01 0.00 0.00 55.97 57.33 1fo5 s LYS 4 Cb -0.26 -3.42 -0.03 0.00 -1.01 0.00 0.00 37.83 33.11 1fo5 s LYS 4 CO 0.32 -0.07 -0.22 0.42 0.51 0.00 0.00 175.35 176.32 1fo5 s ILE 5 N 0.89 1.77 0.05 2.17 1.01 -0.17 -2.42 121.20 124.50 1fo5 s ILE 5 Ca 0.53 -1.28 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1fo5 s ILE 5 Cb -0.23 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1fo5 s ILE 5 CO 0.29 0.21 -0.07 -1.61 0.00 0.00 0.00 174.94 173.76 1fo5 s GLU 6 N -1.27 0.56 -0.60 2.79 2.02 -0.63 -1.40 118.70 120.16 1fo5 s GLU 6 Ca 0.08 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.26 1fo5 s GLU 6 Cb -0.09 -0.20 0.17 0.00 0.10 0.00 0.00 34.13 34.11 1fo5 s GLU 6 CO 0.02 0.02 0.45 1.28 0.02 0.00 0.00 175.26 177.05 1fo5 n LEU 7 N 1.16 1.83 -4.57 1.80 4.32 0.38 -1.44 117.00 120.48 1fo5 n LEU 7 Ca -0.21 -4.93 -0.37 0.00 -0.02 0.00 0.00 56.01 50.48 1fo5 n LEU 7 Cb 0.56 -0.30 -0.03 0.00 -1.62 0.00 0.00 43.42 42.03 1fo5 n LEU 7 CO 0.22 1.80 1.63 0.12 -1.22 0.00 0.00 177.39 179.95 1fo5 s PHE 8 N -0.97 2.41 0.18 -1.77 5.36 -0.33 -1.69 117.98 121.17 1fo5 s PHE 8 Ca 0.28 -0.68 0.01 0.00 -0.96 0.00 0.00 56.93 55.58 1fo5 s PHE 8 Cb -0.01 -4.51 -0.05 0.00 -0.34 0.00 0.00 43.02 38.12 1fo5 s PHE 8 CO -0.18 -1.75 0.04 0.95 -1.46 0.00 0.00 175.22 172.83 1fo5 s THR 9 N 6.46 0.45 0.00 0.12 -4.23 -1.18 -1.11 115.64 116.14 1fo5 s THR 9 Ca 0.56 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1fo5 s THR 9 Cb 0.00 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1fo5 s THR 9 CO 0.01 -0.34 0.00 -0.24 -0.54 0.00 0.00 174.62 173.51 1fo5 n SER 10 N -0.25 0.00 -4.56 3.99 2.88 -1.26 -0.32 113.62 114.09 1fo5 n SER 10 Ca -0.04 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.30 1fo5 n SER 10 Cb 0.64 0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 64.13 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 -1.25 1.98 0.37 -1.46 0.04 -1.26 -4.86 135.00 128.56 1fo5 s PRO 11 Ca 0.00 0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.35 1fo5 s PRO 11 Cb 0.00 -4.86 -0.03 0.00 0.04 0.00 0.00 34.50 29.65 1fo5 s PRO 11 CO 0.00 -3.98 0.15 -1.64 0.04 0.00 0.00 177.00 171.57 1fo5 s MET 12 N 8.16 1.81 0.00 4.56 -1.94 -1.26 -4.93 119.30 125.70 1fo5 s MET 12 Ca 0.84 -2.07 0.00 0.00 -1.71 0.00 0.00 55.69 52.75 1fo5 s MET 12 Cb -0.11 -0.38 0.00 0.00 2.01 0.00 0.00 34.83 36.35 1fo5 s MET 12 CO 0.06 -0.47 0.00 0.00 -0.01 0.00 0.00 175.02 174.60 1fo5 n PRO 14 N 0.00 0.67 -3.41 0.00 -0.04 -1.26 -4.20 135.00 126.76 1fo5 n PRO 14 Ca 0.00 -0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.18 1fo5 n PRO 14 Cb 0.00 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.70 1.04 0.01 0.54 3.76 -1.26 -4.99 115.29 115.09 1fo5 s HIS 15 Ca 0.01 -2.19 -0.25 0.00 -0.15 0.00 0.00 55.06 52.47 1fo5 s HIS 15 Cb 0.00 -0.94 -0.18 0.00 1.11 0.00 0.00 32.58 32.58 1fo5 s HIS 15 CO 0.00 -0.83 1.32 0.00 -0.85 0.00 0.00 174.74 174.38 1fo5 s PRO 17 N -4.76 2.41 0.00 0.00 0.04 -1.26 -4.88 135.00 126.55 1fo5 s PRO 17 Ca -0.15 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1fo5 s PRO 17 Cb 0.03 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1fo5 s PRO 17 CO 0.60 -1.54 0.00 0.00 0.04 0.00 0.00 177.00 176.10 1fo5 n ALA 18 N -3.06 0.00 -0.32 8.56 0.00 -1.26 -4.92 120.51 119.50 1fo5 n ALA 18 Ca 0.10 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.74 1fo5 n ALA 18 Cb 0.52 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.37 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 1.61 -0.22 0.00 0.00 -1.97 0.90 119.26 121.57 1fo5 h ALA 19 Ca 0.00 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1fo5 h ALA 19 Cb 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1fo5 h ALA 19 CO 0.00 -0.61 -0.04 -0.22 0.00 0.00 0.00 179.25 178.38 1fo5 h LYS 20 N 0.16 0.02 0.85 0.00 1.63 -1.94 0.12 116.57 117.40 1fo5 h LYS 20 Ca 0.67 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.43 1fo5 h LYS 20 Cb 1.50 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.13 1fo5 h LYS 20 CO -0.72 0.01 -0.47 -0.09 -3.45 0.00 0.00 179.45 174.74 1fo5 h ARG 21 N 0.02 -1.17 -0.92 1.90 2.43 -1.20 -1.97 114.38 113.47 1fo5 h ARG 21 Ca 0.11 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1fo5 h ARG 21 Cb 0.15 0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1fo5 h ARG 21 CO -0.21 -0.78 0.58 0.28 -1.51 0.00 0.00 179.97 178.33 1fo5 h VAL 22 N -1.21 1.07 -0.04 0.20 2.07 -1.02 0.13 116.25 117.45 1fo5 h VAL 22 Ca -0.11 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1fo5 h VAL 22 Cb 0.95 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1fo5 h VAL 22 CO 0.15 0.19 0.02 1.62 0.02 0.00 0.00 177.57 179.57 1fo5 h VAL 23 N 1.07 1.12 -0.59 2.57 3.04 -0.79 -1.53 116.25 121.14 1fo5 h VAL 23 Ca 0.40 -0.36 0.02 0.00 -1.01 0.00 0.00 66.70 65.75 1fo5 h VAL 23 Cb 0.16 1.29 -0.04 0.00 -2.01 0.00 0.00 31.29 30.69 1fo5 h VAL 23 CO -0.17 0.10 0.37 -0.08 -1.01 0.00 0.00 177.57 176.78 1fo5 h GLU 24 N -0.08 0.72 -0.50 4.17 4.57 -0.37 0.25 114.58 123.34 1fo5 h GLU 24 Ca 0.01 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1fo5 h GLU 24 Cb 0.14 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1fo5 h GLU 24 CO -0.00 0.48 0.22 1.49 -1.18 0.00 0.00 179.01 180.01 1fo5 h GLU 25 N 0.74 0.71 0.00 1.92 4.81 -0.63 -1.46 114.58 120.66 1fo5 h GLU 25 Ca 0.23 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1fo5 h GLU 25 Cb -0.02 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1fo5 h GLU 25 CO -0.08 0.57 -1.73 1.33 -0.73 0.00 0.00 179.01 178.37 1fo5 n VAL 26 N -4.36 0.06 0.28 0.32 0.24 -0.59 -4.22 118.33 110.05 1fo5 n VAL 26 Ca 0.04 -0.37 0.15 0.00 -2.04 0.00 0.00 64.34 62.12 1fo5 n VAL 26 Cb 0.14 0.10 0.83 0.00 -1.47 0.00 0.00 33.84 33.44 1fo5 n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fo5 h ALA 27 N 1.39 1.26 -0.82 2.33 0.00 -0.38 0.86 119.26 123.90 1fo5 h ALA 27 Ca -0.02 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.02 1fo5 h ALA 27 Cb 0.78 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.44 1fo5 h ALA 27 CO 0.00 0.09 0.26 -0.91 0.00 0.00 0.00 179.25 178.69 1fo5 h ASN 28 N 0.00 0.11 0.16 0.00 2.35 -1.44 -2.57 115.58 114.18 1fo5 h ASN 28 Ca -0.00 0.16 -0.33 0.00 -0.55 0.00 0.00 56.30 55.58 1fo5 h ASN 28 Cb 0.24 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1fo5 h ASN 28 CO 0.01 -0.05 -1.65 -0.33 -1.65 0.00 0.00 177.43 173.76 1fo5 h GLU 29 N 0.30 0.33 -2.21 0.81 4.39 -1.23 -3.45 114.58 113.52 1fo5 h GLU 29 Ca 0.49 -0.57 -0.58 0.00 0.34 0.00 0.00 59.36 59.05 1fo5 h GLU 29 Cb 0.91 0.21 -0.39 0.00 -0.10 0.00 0.00 28.75 29.38 1fo5 h GLU 29 CO -0.55 1.27 -1.02 -1.33 -1.16 0.00 0.00 179.01 176.22 1fo5 n MET 30 N -3.71 0.50 -0.47 2.33 2.81 0.09 -5.02 117.12 113.65 1fo5 n MET 30 Ca -0.25 -3.25 -0.03 0.00 -1.81 0.00 0.00 57.70 52.35 1fo5 n MET 30 Cb 1.01 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.98 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 2.15 0.95 0.01 0.03 -0.04 -0.98 -2.29 135.00 134.82 1fo5 n PRO 31 Ca 0.26 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1fo5 n PRO 31 Cb 0.50 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.04 -0.15 0.21 3.54 -0.08 -1.26 -4.96 116.55 115.90 1fo5 n ASP 32 Ca 0.11 0.20 0.06 0.00 -1.51 0.00 0.00 54.79 53.65 1fo5 n ASP 32 Cb 0.45 0.33 0.45 0.00 2.34 0.00 0.00 41.12 44.70 1fo5 n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fo5 h ALA 33 N 0.00 1.31 -2.53 -1.67 0.00 -1.85 -3.40 119.26 111.12 1fo5 h ALA 33 Ca 0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 1fo5 h ALA 33 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1fo5 h ALA 33 CO 0.00 0.37 0.47 0.08 0.00 0.00 0.00 179.25 180.17 1fo5 s VAL 34 N -4.12 4.24 0.08 0.00 1.01 -0.97 -0.40 120.40 120.25 1fo5 s VAL 34 Ca -0.02 1.72 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1fo5 s VAL 34 Cb 0.14 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1fo5 s VAL 34 CO 0.68 0.20 -0.09 -1.61 0.00 0.00 0.00 175.10 174.28 1fo5 s GLU 35 N 0.51 0.76 -0.19 2.72 2.02 -0.65 -4.92 118.70 118.95 1fo5 s GLU 35 Ca 0.53 -1.09 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 1fo5 s GLU 35 Cb -0.27 -0.41 0.06 0.00 0.10 0.00 0.00 34.13 33.61 1fo5 s GLU 35 CO 0.31 0.05 0.02 0.08 0.02 0.00 0.00 175.26 175.74 1fo5 s VAL 36 N -2.39 0.68 -0.54 2.63 1.01 -1.25 -1.00 120.40 119.53 1fo5 s VAL 36 Ca 0.03 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1fo5 s VAL 36 Cb -0.03 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.29 1fo5 s VAL 36 CO -0.01 -0.15 0.79 -1.61 0.00 0.00 0.00 175.10 174.12 1fo5 s GLU 37 N 1.79 3.20 -0.56 2.72 8.01 -0.49 -4.98 118.70 128.40 1fo5 s GLU 37 Ca -0.01 -0.66 -0.28 0.00 0.01 0.00 0.00 54.97 54.03 1fo5 s GLU 37 Cb -0.17 -4.10 0.03 0.00 -4.31 0.00 0.00 34.13 25.58 1fo5 s GLU 37 CO -0.08 -1.40 1.15 -0.47 0.01 0.00 0.00 175.26 174.47 1fo5 s TYR 38 N 3.29 2.67 -0.47 1.61 5.04 -1.26 -0.47 117.35 127.76 1fo5 s TYR 38 Ca 0.22 0.42 0.03 0.00 -2.44 0.00 0.00 57.07 55.29 1fo5 s TYR 38 Cb -0.17 -4.44 0.14 0.00 0.35 0.00 0.00 41.96 37.85 1fo5 s TYR 38 CO 0.14 -1.49 0.28 0.96 -1.34 0.00 0.00 175.55 174.09 1fo5 s ILE 39 N 4.73 1.55 0.02 3.14 -0.00 -0.68 -4.97 121.20 124.98 1fo5 s ILE 39 Ca 0.42 -2.80 -0.30 0.00 -0.00 0.00 0.00 60.65 57.97 1fo5 s ILE 39 Cb -0.08 -2.07 -0.07 0.00 -0.00 0.00 0.00 42.46 40.24 1fo5 s ILE 39 CO 0.26 -0.93 1.62 0.54 -0.00 0.00 0.00 174.94 176.43 1fo5 s ASN 40 N 0.09 6.66 -0.20 4.36 6.03 -1.26 -3.13 114.94 127.49 1fo5 s ASN 40 Ca 0.20 2.35 -0.32 0.00 -1.03 0.00 0.00 52.86 54.06 1fo5 s ASN 40 Cb -0.20 -2.55 -0.09 0.00 -3.03 0.00 0.00 41.25 35.38 1fo5 s ASN 40 CO -0.03 -0.88 2.11 0.52 -2.03 0.00 0.00 177.10 176.79 1fo5 n VAL 41 N 4.99 0.39 0.00 3.54 0.31 0.56 -4.43 118.33 123.69 1fo5 n VAL 41 Ca 0.16 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1fo5 n VAL 41 Cb 0.42 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 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 7.98 0.00 0.27 5.55 0.00 -1.26 -4.83 117.12 124.83 1fo5 n MET 42 Ca 0.31 0.00 0.15 0.00 0.00 0.00 0.00 57.70 58.16 1fo5 n MET 42 Cb 0.34 0.00 0.68 0.00 0.00 0.00 0.00 33.22 34.25 1fo5 n MET 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1fo5 h GLU 43 N 0.00 0.00 -6.02 2.12 3.07 -2.02 -3.44 114.58 108.29 1fo5 h GLU 43 Ca 0.00 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.20 1fo5 h GLU 43 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1fo5 h GLU 43 CO 0.00 0.08 1.37 0.09 -1.40 0.00 0.00 179.01 179.15 1fo5 n ASN 44 N -3.26 2.43 -4.77 1.42 3.02 -1.26 -4.88 115.26 107.96 1fo5 n ASN 44 Ca -0.00 0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 54.70 1fo5 n ASN 44 Cb 0.31 -1.31 0.08 0.00 -0.61 0.00 0.00 39.78 38.25 1fo5 n ASN 44 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1fo5 s PRO 45 N 5.91 2.43 0.00 3.52 0.04 -1.26 -4.76 135.00 140.88 1fo5 s PRO 45 Ca 1.06 1.20 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1fo5 s PRO 45 Cb -0.78 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1fo5 s PRO 45 CO 0.48 -1.51 0.12 1.04 0.04 0.00 0.00 177.00 177.17 1fo5 n GLN 46 N -3.23 0.23 0.33 4.56 6.02 -1.26 -4.19 117.38 119.84 1fo5 n GLN 46 Ca 0.09 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.28 1fo5 n GLN 46 Cb 0.53 -1.11 1.08 0.00 1.02 0.00 0.00 30.24 31.76 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 0.71 0.00 0.06 -1.09 -0.00 -2.01 0.18 116.57 114.42 1fo5 h LYS 47 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 60.65 60.31 1fo5 h LYS 47 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.30 1fo5 h LYS 47 CO 0.00 0.00 -1.95 0.00 -0.00 0.00 0.00 179.45 177.50 1fo5 n ALA 48 N -2.03 1.21 0.64 0.07 0.00 -1.26 -4.43 120.51 114.70 1fo5 n ALA 48 Ca -0.03 -0.75 0.08 0.00 0.00 0.00 0.00 53.44 52.74 1fo5 n ALA 48 Cb 0.18 -0.66 0.37 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.24 0.07 0.27 0.00 1.56 0.39 -1.92 117.12 114.26 1fo5 n MET 49 Ca -0.27 0.19 0.12 0.00 -0.27 0.00 0.00 57.70 57.46 1fo5 n MET 49 Cb 1.05 -1.50 0.77 0.00 2.15 0.00 0.00 33.22 35.69 1fo5 n MET 49 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 1fo5 h GLU 50 N 0.00 0.00 -6.60 2.12 4.11 -1.10 -3.43 114.58 109.69 1fo5 h GLU 50 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1fo5 h GLU 50 Cb 0.24 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.52 1fo5 h GLU 50 CO 0.00 0.05 0.65 0.71 0.07 0.00 0.00 179.01 180.49 1fo5 s TYR 51 N -4.65 3.30 -2.00 2.06 2.02 -0.81 -4.90 117.35 112.37 1fo5 s TYR 51 Ca -0.04 1.16 0.01 0.00 -0.37 0.00 0.00 57.07 57.83 1fo5 s TYR 51 Cb 0.15 -3.59 0.08 0.00 -0.40 0.00 0.00 41.96 38.20 1fo5 s TYR 51 CO 0.60 -1.90 0.56 0.41 -1.57 0.00 0.00 175.55 173.65 1fo5 n GLY 52 N 2.89 -0.04 0.06 0.71 0.00 -1.26 -0.75 105.19 106.79 1fo5 n GLY 52 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1fo5 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fo5 h ILE 53 N 0.00 1.16 0.00 -0.61 6.09 -1.90 -3.46 117.51 118.78 1fo5 h ILE 53 Ca 0.00 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1fo5 h ILE 53 Cb 0.00 1.51 0.00 0.00 0.47 0.00 0.00 36.82 38.80 1fo5 h ILE 53 CO 0.00 0.14 0.00 0.23 -3.07 0.00 0.00 178.15 175.45 1fo5 n MET 54 N -4.99 0.00 -0.23 2.19 2.81 0.07 -4.91 117.12 112.06 1fo5 n MET 54 Ca -0.08 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.75 1fo5 n MET 54 Cb 0.14 -2.33 0.06 0.00 -0.71 0.00 0.00 33.22 30.38 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 0.61 -0.75 -3.64 3.04 0.00 -1.26 -5.01 120.51 113.49 1fo5 n ALA 55 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 1fo5 n ALA 55 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.44 0.00 -0.27 0.00 0.11 -1.26 -4.36 120.40 113.18 1fo5 s VAL 56 Ca 0.16 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.93 1fo5 s VAL 56 Cb -0.02 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1fo5 s VAL 56 CO 0.12 0.00 2.25 -2.16 -3.33 0.00 0.00 175.10 171.98 1fo5 s PRO 57 N -0.46 2.93 -0.39 1.54 0.04 -1.26 -4.97 135.00 132.43 1fo5 s PRO 57 Ca 0.08 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1fo5 s PRO 57 Cb -0.03 -4.41 0.02 0.00 0.04 0.00 0.00 34.50 30.12 1fo5 s PRO 57 CO -0.11 -2.33 1.12 0.99 0.04 0.00 0.00 177.00 176.71 1fo5 s THR 58 N 9.04 4.34 -0.24 1.26 2.01 -0.27 -4.55 115.64 127.23 1fo5 s THR 58 Ca 1.00 1.47 0.00 0.00 0.31 0.00 0.00 61.69 64.48 1fo5 s THR 58 Cb -0.30 -4.48 0.04 0.00 0.01 0.00 0.00 72.50 67.76 1fo5 s THR 58 CO 0.33 -0.72 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.81 1fo5 s ILE 59 N 4.08 2.47 0.06 1.82 -1.09 0.12 -1.19 121.20 127.47 1fo5 s ILE 59 Ca 0.47 -1.21 -0.26 0.00 -2.23 0.00 0.00 60.65 57.42 1fo5 s ILE 59 Cb -0.10 -2.28 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 1fo5 s ILE 59 CO 0.23 0.19 0.82 -0.69 -1.23 0.00 0.00 174.94 174.26 1fo5 s VAL 60 N 1.24 4.68 0.13 2.92 1.01 -0.52 -1.30 120.40 128.56 1fo5 s VAL 60 Ca -0.02 1.74 0.04 0.00 0.00 0.00 0.00 61.98 63.75 1fo5 s VAL 60 Cb -0.17 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1fo5 s VAL 60 CO -0.06 0.35 -0.10 0.27 0.00 0.00 0.00 175.10 175.55 1fo5 s ILE 61 N -0.01 1.10 0.00 2.22 -5.25 -0.48 -1.61 121.20 117.17 1fo5 s ILE 61 Ca 0.41 -1.91 0.00 0.00 -0.99 0.00 0.00 60.65 58.16 1fo5 s ILE 61 Cb -0.21 -1.68 0.00 0.00 2.95 0.00 0.00 42.46 43.52 1fo5 s ILE 61 CO 0.25 -0.67 0.00 -3.20 -1.79 0.00 0.00 174.94 169.52 1fo5 n ASN 62 N 0.08 0.00 -0.23 4.36 2.85 -1.02 -0.31 115.26 121.00 1fo5 n ASN 62 Ca -0.12 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1fo5 n ASN 62 Cb 0.59 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.61 1fo5 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1fo5 n GLY 63 N 0.00 0.35 3.88 8.20 0.00 -1.26 -1.65 105.19 114.73 1fo5 n GLY 63 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.03 6.56 -0.19 1.61 2.15 0.58 -5.12 116.67 122.24 1fo5 s ASP 64 Ca 0.00 0.87 -0.03 0.00 0.43 0.00 0.00 52.55 53.82 1fo5 s ASP 64 Cb 0.00 -2.21 0.06 0.00 -0.30 0.00 0.00 42.92 40.47 1fo5 s ASP 64 CO 0.00 -0.14 0.04 0.68 -0.17 0.00 0.00 175.17 175.58 1fo5 s VAL 65 N -1.95 0.47 0.28 1.11 -7.23 -1.26 -1.38 120.40 110.44 1fo5 s VAL 65 Ca 0.47 -0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 60.12 1fo5 s VAL 65 Cb -0.11 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.87 1fo5 s VAL 65 CO 0.25 -0.19 0.42 1.21 -0.31 0.00 0.00 175.10 176.48 1fo5 n GLU 66 N 5.07 0.60 -3.43 4.82 0.00 -0.42 -4.85 120.64 122.44 1fo5 n GLU 66 Ca -0.09 -2.19 0.00 0.00 0.00 0.00 0.00 57.16 54.89 1fo5 n GLU 66 Cb 0.47 2.16 -0.03 0.00 0.00 0.00 0.00 31.44 34.05 1fo5 n GLU 66 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1fo5 s PHE 67 N -3.37 -1.41 -1.32 4.31 -0.71 -1.26 -0.71 117.98 113.51 1fo5 s PHE 67 Ca 0.22 1.99 -0.13 0.00 -1.04 0.00 0.00 56.93 57.96 1fo5 s PHE 67 Cb -0.01 0.66 0.11 0.00 -1.21 0.00 0.00 43.02 42.57 1fo5 s PHE 67 CO 0.16 -0.75 1.84 -0.89 -1.34 0.00 0.00 175.22 174.24 1fo5 n ILE 68 N 5.44 4.00 -3.75 -4.49 2.08 -0.90 -4.96 119.36 116.77 1fo5 n ILE 68 Ca -0.07 -4.04 0.00 0.00 0.56 0.00 0.00 62.75 59.20 1fo5 n ILE 68 Cb 0.50 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.94 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 3.98 -1.54 0.29 7.39 0.00 -1.26 -3.94 105.19 110.10 1fo5 n GLY 69 Ca 0.44 -1.36 0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 1.34 -3.00 4.61 0.00 -1.93 -3.41 119.26 116.87 1fo5 h ALA 70 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1fo5 h ALA 70 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fo5 h ALA 70 CO 0.00 0.07 0.00 -0.35 0.00 0.00 0.00 179.25 178.97 1fo5 n PRO 71 N -3.65 0.00 0.00 0.00 -0.04 -1.25 -4.96 135.00 125.09 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 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 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 1.05 0.52 -2.24 -1.26 -4.79 114.28 107.56 1fo5 n THR 72 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1fo5 n THR 72 Cb 0.00 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.85 -0.32 -0.78 3.00 -1.26 -2.12 118.16 118.54 1fo5 n LYS 73 Ca 0.00 -1.29 0.07 0.00 -0.00 0.00 0.00 58.31 57.10 1fo5 n LYS 73 Cb 0.00 -1.40 0.16 0.00 0.00 0.00 0.00 35.03 33.80 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 0.52 -0.08 -0.03 1.64 1.02 -1.26 -0.84 120.64 121.61 1fo5 n GLU 74 Ca 0.16 1.37 -0.00 0.00 -0.02 0.00 0.00 57.16 58.67 1fo5 n GLU 74 Cb 0.36 -2.09 0.29 0.00 -0.02 0.00 0.00 31.44 29.99 1fo5 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fo5 h ALA 75 N 1.78 1.38 0.00 0.62 0.00 -1.89 -1.36 119.26 119.78 1fo5 h ALA 75 Ca 0.46 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1fo5 h ALA 75 Cb 0.78 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1fo5 h ALA 75 CO -0.90 0.44 -0.88 1.25 0.00 0.00 0.00 179.25 179.16 1fo5 h LEU 76 N 0.58 0.00 -1.37 0.00 7.12 -1.39 -3.29 115.31 116.96 1fo5 h LEU 76 Ca 0.13 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 1fo5 h LEU 76 Cb 0.27 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 1fo5 h LEU 76 CO 0.00 0.29 0.08 1.62 -0.13 0.00 0.00 178.44 180.30 1fo5 h VAL 77 N 0.00 1.16 -0.08 1.05 3.04 -0.07 0.65 116.25 122.00 1fo5 h VAL 77 Ca -0.05 -0.59 0.02 0.00 -1.01 0.00 0.00 66.70 65.07 1fo5 h VAL 77 Cb 1.27 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1fo5 h VAL 77 CO 0.03 0.21 0.16 -0.33 -1.01 0.00 0.00 177.57 176.63 1fo5 h GLU 78 N 0.49 0.00 0.03 4.17 4.39 -1.35 -1.66 114.58 120.65 1fo5 h GLU 78 Ca 0.12 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.62 1fo5 h GLU 78 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1fo5 h GLU 78 CO -0.00 0.00 -1.06 0.00 -1.16 0.00 0.00 179.01 176.78 1fo5 h ALA 79 N 1.75 0.20 -0.68 3.43 0.00 -1.09 -3.38 119.26 119.49 1fo5 h ALA 79 Ca 0.04 -1.05 0.08 0.00 0.00 0.00 0.00 54.91 53.98 1fo5 h ALA 79 Cb 0.36 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1fo5 h ALA 79 CO -0.00 0.61 0.45 -0.84 0.00 0.00 0.00 179.25 179.47 1fo5 h ILE 80 N -0.82 0.96 -0.16 0.00 3.07 -0.58 0.02 117.51 120.00 1fo5 h ILE 80 Ca -0.27 -0.21 -0.09 0.00 1.55 0.00 0.00 64.86 65.84 1fo5 h ILE 80 Cb 1.36 0.29 -0.01 0.00 -0.27 0.00 0.00 36.82 38.19 1fo5 h ILE 80 CO -0.10 0.11 -0.28 0.07 -1.05 0.00 0.00 178.15 176.90 1fo5 h LYS 81 N 0.62 0.30 0.00 0.16 2.10 -1.51 -2.90 116.57 115.34 1fo5 h LYS 81 Ca 0.31 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1fo5 h LYS 81 Cb 0.39 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1fo5 h LYS 81 CO -0.10 0.56 -0.01 1.57 -2.00 0.00 0.00 179.45 179.47 1fo5 h LYS 82 N 0.27 0.00 0.00 0.07 5.09 -1.56 -3.45 116.57 116.99 1fo5 h LYS 82 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.78 1fo5 h LYS 82 Cb 0.64 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.97 1fo5 h LYS 82 CO 0.05 0.99 0.00 0.54 -2.09 0.00 0.00 179.45 178.94 1fo5 n ARG 83 N -4.61 0.00 -0.51 0.07 1.74 -0.07 -5.05 116.66 108.23 1fo5 n ARG 83 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1fo5 n ARG 83 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1fo5 n ARG 83 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00