#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s ARG 8 N 0.00 0.84 -0.21 5.31 1.70 -0.67 -4.99 118.95 120.92 1m90 s ARG 8 Ca 0.00 -0.46 -0.06 0.00 -0.47 0.00 0.00 55.73 54.74 1m90 s ARG 8 Cb 0.00 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 1m90 s ARG 8 CO 0.00 -0.38 0.03 0.08 -1.08 0.00 0.00 175.30 173.95 1m90 s VAL 9 N -2.91 4.17 0.08 4.99 1.01 -1.26 -1.77 120.40 124.71 1m90 s VAL 9 Ca 0.13 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1m90 s VAL 9 Cb 0.01 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1m90 s VAL 9 CO -0.01 0.41 -0.21 -0.69 0.00 0.00 0.00 175.10 174.60 1m90 s VAL 10 N 1.09 1.69 -0.38 2.92 1.01 0.57 -4.97 120.40 122.34 1m90 s VAL 10 Ca 0.03 -1.41 -0.12 0.00 0.00 0.00 0.00 61.98 60.48 1m90 s VAL 10 Cb -0.14 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1m90 s VAL 10 CO 0.02 0.04 0.23 -0.89 0.00 0.00 0.00 175.10 174.51 1m90 s THR 11 N -1.02 4.80 -0.22 3.92 2.01 -1.26 0.13 115.64 124.00 1m90 s THR 11 Ca 0.07 -0.77 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 1m90 s THR 11 Cb -0.10 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1m90 s THR 11 CO 0.03 -0.24 0.48 -0.63 -0.69 0.00 0.00 174.62 173.58 1m90 s ILE 12 N 1.60 5.12 -0.06 1.82 -1.09 -0.45 -4.92 121.20 123.21 1m90 s ILE 12 Ca 0.03 0.86 -0.27 0.00 -2.23 0.00 0.00 60.65 59.05 1m90 s ILE 12 Cb -0.19 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1m90 s ILE 12 CO 0.08 0.17 0.85 -2.16 -1.23 0.00 0.00 174.94 172.65 1m90 s PRO 13 N 1.75 4.46 -0.25 2.79 0.04 -1.26 -2.08 135.00 140.44 1m90 s PRO 13 Ca 0.22 1.15 0.11 0.00 0.04 0.00 0.00 61.00 62.52 1m90 s PRO 13 Cb -0.15 -3.48 0.50 0.00 0.04 0.00 0.00 34.50 31.40 1m90 s PRO 13 CO 0.09 -0.08 1.43 1.28 0.04 0.00 0.00 177.00 179.76 1m90 n LEU 14 N 4.19 3.92 0.22 -3.56 4.77 0.16 -4.65 117.00 122.05 1m90 n LEU 14 Ca 0.03 -3.56 0.06 0.00 -0.03 0.00 0.00 56.01 52.51 1m90 n LEU 14 Cb 0.51 -0.60 0.52 0.00 -2.33 0.00 0.00 43.42 41.52 1m90 n LEU 14 CO 0.50 1.09 0.94 0.08 -1.33 0.00 0.00 177.39 178.66 1m90 h ARG 15 N 1.13 0.03 0.00 3.23 0.11 -1.91 -2.36 114.38 114.60 1m90 h ARG 15 Ca 0.15 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1m90 h ARG 15 Cb 1.55 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.63 1m90 h ARG 15 CO 0.31 0.16 0.00 -0.25 0.10 0.00 0.00 179.97 180.29 1m90 n ASP 16 N -4.37 0.00 0.05 0.08 8.00 -1.26 -2.34 116.55 116.72 1m90 n ASP 16 Ca -0.02 0.37 0.12 0.00 0.71 0.00 0.00 54.79 55.97 1m90 n ASP 16 Cb 0.21 -0.44 0.47 0.00 -0.02 0.00 0.00 41.12 41.34 1m90 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m90 n ALA 17 N -1.44 2.05 0.39 2.24 0.00 -0.89 -2.73 120.51 120.13 1m90 n ALA 17 Ca 0.05 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1m90 n ALA 17 Cb 0.18 -1.40 0.45 0.00 0.00 0.00 0.00 19.45 18.68 1m90 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m90 h ARG 18 N 0.00 0.00 0.00 0.00 3.08 -1.66 -2.86 114.38 112.94 1m90 h ARG 18 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1m90 h ARG 18 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1m90 h ARG 18 CO 0.00 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.88 1m90 h ALA 19 N 2.21 1.00 -2.57 0.04 0.00 -1.73 -3.44 119.26 114.77 1m90 h ALA 19 Ca 0.00 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 1m90 h ALA 19 Cb 0.64 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1m90 h ALA 19 CO 0.00 0.02 -0.12 -2.00 0.00 0.00 0.00 179.25 177.16 1m90 s GLU 20 N -3.54 3.87 0.14 0.00 2.56 -1.08 -5.01 118.70 115.64 1m90 s GLU 20 Ca 0.03 0.35 -0.35 0.00 0.00 0.00 0.00 54.97 55.00 1m90 s GLU 20 Cb 0.08 -2.80 -0.15 0.00 2.00 0.00 0.00 34.13 33.26 1m90 s GLU 20 CO 0.58 0.41 1.36 -0.35 -0.56 0.00 0.00 175.26 176.70 1m90 n PRO 21 N 0.35 1.47 -0.32 4.30 -0.04 -1.26 -4.80 135.00 134.69 1m90 n PRO 21 Ca -0.03 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 1m90 n PRO 21 Cb 0.52 -2.17 0.28 0.00 -0.04 0.00 0.00 33.50 32.09 1m90 n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1m90 h ASN 22 N 4.54 -0.37 0.05 3.54 2.35 -1.90 0.17 115.58 123.96 1m90 h ASN 22 Ca -0.46 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1m90 h ASN 22 Cb 1.31 0.43 0.00 0.00 0.05 0.00 0.00 38.32 40.11 1m90 h ASN 22 CO 0.78 -0.30 0.00 0.00 -1.65 0.00 0.00 177.43 176.26 1m90 n HIS 23 N -5.43 0.00 -1.26 1.19 1.44 -1.26 -2.61 115.22 107.29 1m90 n HIS 23 Ca 0.22 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.00 1m90 n HIS 23 Cb 0.72 -0.11 0.09 0.00 0.12 0.00 0.00 29.99 30.82 1m90 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1m90 n LYS 24 N -1.11 1.00 0.09 -1.40 5.02 0.05 -4.36 118.16 117.46 1m90 n LYS 24 Ca 0.05 -2.08 -0.13 0.00 -2.02 0.00 0.00 58.31 54.12 1m90 n LYS 24 Cb 0.04 -1.20 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 1m90 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m90 h ARG 25 N 0.00 -0.55 -0.87 1.97 3.08 -1.21 -2.94 114.38 113.85 1m90 h ARG 25 Ca 0.00 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.21 1m90 h ARG 25 Cb 1.08 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 31.13 1m90 h ARG 25 CO 0.00 -0.37 -0.38 0.00 -1.07 0.00 0.00 179.97 178.15 1m90 n ALA 26 N -2.80 -0.21 0.13 0.04 0.00 -0.56 0.35 120.51 117.46 1m90 n ALA 26 Ca -0.06 0.84 -0.13 0.00 0.00 0.00 0.00 53.44 54.09 1m90 n ALA 26 Cb 0.36 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 1m90 n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1m90 h ASP 27 N 0.00 -0.67 -0.83 0.00 3.45 -1.80 -0.40 116.42 116.17 1m90 h ASP 27 Ca 0.27 0.07 0.04 0.00 0.43 0.00 0.00 57.03 57.83 1m90 h ASP 27 Cb 0.48 0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 39.45 1m90 h ASP 27 CO -0.85 -0.34 0.53 0.50 -1.57 0.00 0.00 179.24 177.51 1m90 h LYS 28 N -0.46 0.99 0.15 3.56 1.63 -0.55 -2.16 116.57 119.73 1m90 h LYS 28 Ca 0.02 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1m90 h LYS 28 Cb 0.47 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1m90 h LYS 28 CO -0.11 0.65 -0.19 0.00 -3.45 0.00 0.00 179.45 176.36 1m90 h ALA 29 N 1.35 -0.35 -0.83 5.00 0.00 0.25 -0.27 119.26 124.41 1m90 h ALA 29 Ca 0.33 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.44 1m90 h ALA 29 Cb 0.03 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1m90 h ALA 29 CO -0.12 -0.73 0.59 1.98 0.00 0.00 0.00 179.25 180.98 1m90 h MET 30 N -0.39 0.03 0.21 0.00 1.85 -0.47 0.11 114.93 116.27 1m90 h MET 30 Ca 0.01 -0.00 -0.32 0.00 -0.61 0.00 0.00 59.70 58.78 1m90 h MET 30 Cb 0.38 -0.01 0.04 0.00 0.43 0.00 0.00 31.60 32.44 1m90 h MET 30 CO -0.07 0.02 -1.40 0.82 -0.40 0.00 0.00 176.91 175.88 1m90 h ILE 31 N 0.03 1.28 -0.29 1.77 2.04 -0.64 -3.09 117.51 118.62 1m90 h ILE 31 Ca 0.40 -2.62 0.04 0.00 1.00 0.00 0.00 64.86 63.67 1m90 h ILE 31 Cb 1.54 2.92 -0.03 0.00 -0.74 0.00 0.00 36.82 40.51 1m90 h ILE 31 CO -0.02 0.79 0.08 -0.07 0.00 0.00 0.00 178.15 178.94 1m90 h LEU 32 N 0.19 0.07 -0.74 1.44 3.38 0.84 -0.55 115.31 119.94 1m90 h LEU 32 Ca -0.23 0.04 0.12 0.00 0.09 0.00 0.00 57.88 57.89 1m90 h LEU 32 Cb 2.08 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 42.79 1m90 h LEU 32 CO 0.26 0.07 0.34 0.40 0.09 0.00 0.00 178.44 179.61 1m90 h ILE 33 N 0.20 0.77 -0.51 1.22 2.04 -1.33 0.28 117.51 120.18 1m90 h ILE 33 Ca 0.13 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 1m90 h ILE 33 Cb 0.12 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1m90 h ILE 33 CO -0.15 0.10 -0.15 -0.09 0.00 0.00 0.00 178.15 177.86 1m90 h ARG 34 N 0.55 0.99 0.00 2.37 2.43 -1.29 -2.37 114.38 117.07 1m90 h ARG 34 Ca 0.39 -0.39 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1m90 h ARG 34 Cb 0.49 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1m90 h ARG 34 CO -0.33 1.07 -0.39 0.93 -1.51 0.00 0.00 179.97 179.74 1m90 h GLU 35 N 0.86 0.00 -0.01 0.20 5.08 0.18 -2.05 114.58 118.84 1m90 h GLU 35 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1m90 h GLU 35 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1m90 h GLU 35 CO 0.06 0.39 -0.04 1.25 -1.00 0.00 0.00 179.01 179.67 1m90 h HIS 36 N 0.00 0.06 -0.45 4.33 2.76 -0.31 -2.55 115.15 118.99 1m90 h HIS 36 Ca -0.00 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 1m90 h HIS 36 Cb 0.85 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 1m90 h HIS 36 CO 0.00 0.69 0.08 -0.07 -1.30 0.00 0.00 177.93 177.33 1m90 h LEU 37 N -0.59 0.63 -0.66 0.26 3.38 -1.41 -0.65 115.31 116.28 1m90 h LEU 37 Ca -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1m90 h LEU 37 Cb 0.69 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1m90 h LEU 37 CO 0.01 0.65 0.31 0.00 0.09 0.00 0.00 178.44 179.50 1m90 h ALA 38 N 1.44 0.85 0.09 1.53 0.00 -1.38 -1.39 119.26 120.39 1m90 h ALA 38 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1m90 h ALA 38 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1m90 h ALA 38 CO 0.00 0.41 -0.04 -0.22 0.00 0.00 0.00 179.25 179.40 1m90 h LYS 39 N 0.91 -0.11 0.00 0.00 3.64 -1.00 0.67 116.57 120.67 1m90 h LYS 39 Ca 0.23 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1m90 h LYS 39 Cb 0.12 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1m90 h LYS 39 CO -0.03 0.42 0.00 0.45 -2.27 0.00 0.00 179.45 178.02 1m90 h HIS 40 N -0.80 0.00 -0.18 1.91 3.86 -1.17 -2.69 115.15 116.07 1m90 h HIS 40 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1m90 h HIS 40 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1m90 h HIS 40 CO 0.12 0.00 0.00 1.19 0.86 0.00 0.00 177.93 180.10 1m90 n PHE 41 N -2.38 0.40 -3.76 2.45 3.01 -0.52 -5.01 117.46 111.64 1m90 n PHE 41 Ca 0.02 -0.69 -0.27 0.00 1.01 0.00 0.00 57.45 57.52 1m90 n PHE 41 Cb 0.23 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.58 1m90 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1m90 n SER 42 N -0.34 -5.06 -3.98 4.37 7.64 -1.02 -4.99 113.62 110.25 1m90 n SER 42 Ca 0.12 -0.94 -0.09 0.00 1.01 0.00 0.00 58.87 58.96 1m90 n SER 42 Cb 0.55 -2.17 -0.08 0.00 -1.01 0.00 0.00 64.21 61.50 1m90 n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1m90 s VAL 43 N -3.13 0.09 0.24 0.44 1.01 0.20 -4.98 120.40 114.27 1m90 s VAL 43 Ca 0.13 -1.45 -0.28 0.00 0.00 0.00 0.00 61.98 60.38 1m90 s VAL 43 Cb -0.06 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 1m90 s VAL 43 CO 0.89 -0.41 0.89 -1.81 0.00 0.00 0.00 175.10 174.67 1m90 s ASP 44 N -2.96 7.51 0.60 3.32 1.11 -1.26 -4.47 116.67 120.51 1m90 s ASP 44 Ca 0.16 1.83 0.29 0.00 0.18 0.00 0.00 52.55 55.01 1m90 s ASP 44 Cb 0.04 -2.57 1.59 0.00 1.07 0.00 0.00 42.92 43.06 1m90 s ASP 44 CO -0.02 0.13 2.00 -0.33 1.18 0.00 0.00 175.17 178.13 1m90 h GLU 45 N 3.99 0.00 -0.15 8.23 5.08 -1.90 0.55 114.58 130.38 1m90 h GLU 45 Ca -0.46 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 1m90 h GLU 45 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1m90 h GLU 45 CO 0.67 0.00 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.98 1m90 h ASP 46 N 0.00 0.27 0.73 1.42 3.32 -1.96 -3.03 116.42 117.17 1m90 h ASP 46 Ca 0.13 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1m90 h ASP 46 Cb 0.79 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1m90 h ASP 46 CO -0.00 0.54 -0.20 0.00 -1.72 0.00 0.00 179.24 177.86 1m90 n ALA 47 N -2.48 2.83 -2.67 3.45 0.00 0.19 -4.83 120.51 117.00 1m90 n ALA 47 Ca -0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 1m90 n ALA 47 Cb 0.37 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 1m90 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1m90 s VAL 48 N -2.93 4.88 -0.19 0.00 1.01 -1.15 -2.71 120.40 119.31 1m90 s VAL 48 Ca 0.15 1.66 -0.03 0.00 0.00 0.00 0.00 61.98 63.76 1m90 s VAL 48 Cb 0.19 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1m90 s VAL 48 CO 0.58 0.04 -0.05 -0.60 0.00 0.00 0.00 175.10 175.07 1m90 s ARG 49 N 2.06 3.45 -0.28 2.72 3.52 -0.17 -4.98 118.95 125.27 1m90 s ARG 49 Ca 0.39 -0.61 -0.10 0.00 -0.13 0.00 0.00 55.73 55.28 1m90 s ARG 49 Cb -0.17 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1m90 s ARG 49 CO 0.13 -0.04 0.16 -0.51 -0.81 0.00 0.00 175.30 174.23 1m90 s LEU 50 N 1.08 3.90 0.34 -0.88 1.43 -1.26 -1.35 118.68 121.94 1m90 s LEU 50 Ca 0.01 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 1m90 s LEU 50 Cb -0.15 -2.07 -0.11 0.00 0.03 0.00 0.00 46.19 43.90 1m90 s LEU 50 CO -0.00 -0.06 1.37 -0.62 0.23 0.00 0.00 176.35 177.26 1m90 s ASP 51 N 1.71 6.63 0.58 2.29 -1.08 0.12 -4.84 116.67 122.10 1m90 s ASP 51 Ca 0.07 2.80 0.34 0.00 -0.52 0.00 0.00 52.55 55.24 1m90 s ASP 51 Cb -0.16 -2.65 1.31 0.00 -1.46 0.00 0.00 42.92 39.96 1m90 s ASP 51 CO 0.09 -0.65 1.56 -0.65 0.52 0.00 0.00 175.17 176.04 1m90 h PRO 52 N 3.34 0.00 -0.42 4.34 0.11 -1.97 0.80 132.00 138.20 1m90 h PRO 52 Ca -0.49 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1m90 h PRO 52 Cb 1.23 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 1m90 h PRO 52 CO 0.66 0.00 -0.10 0.66 -0.21 0.00 0.00 178.00 179.01 1m90 h SER 53 N 0.00 -0.38 -0.37 -2.05 4.64 -1.93 0.11 113.55 113.57 1m90 h SER 53 Ca 0.55 0.13 0.03 0.00 -0.47 0.00 0.00 61.79 62.02 1m90 h SER 53 Cb 2.67 0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 64.99 1m90 h SER 53 CO -0.01 -0.14 0.18 0.40 -0.87 0.00 0.00 176.83 176.39 1m90 h ILE 54 N 0.00 0.97 -0.07 0.95 2.04 -1.17 0.83 117.51 121.06 1m90 h ILE 54 Ca 0.20 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1m90 h ILE 54 Cb 0.31 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1m90 h ILE 54 CO -0.43 0.07 -0.14 -1.13 0.00 0.00 0.00 178.15 176.52 1m90 h ASN 55 N 0.36 -0.42 -0.59 1.72 -1.24 -1.22 -0.77 115.58 113.43 1m90 h ASN 55 Ca 0.16 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1m90 h ASN 55 Cb 0.08 0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.29 1m90 h ASN 55 CO -0.12 -0.19 0.32 -0.33 -1.29 0.00 0.00 177.43 175.82 1m90 h GLU 56 N -0.20 0.85 0.17 6.67 5.08 -0.51 -1.09 114.58 125.55 1m90 h GLU 56 Ca 0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1m90 h GLU 56 Cb 0.30 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1m90 h GLU 56 CO -0.18 0.64 -0.12 0.00 -1.00 0.00 0.00 179.01 178.34 1m90 h ALA 57 N 1.50 -0.28 0.00 3.43 0.00 0.02 0.93 119.26 124.86 1m90 h ALA 57 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1m90 h ALA 57 Cb 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1m90 h ALA 57 CO -0.03 -0.67 -0.19 0.00 0.00 0.00 0.00 179.25 178.36 1m90 h ALA 58 N 0.52 1.43 -0.04 0.00 0.00 -0.67 -2.62 119.26 117.88 1m90 h ALA 58 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1m90 h ALA 58 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1m90 h ALA 58 CO 0.00 0.24 0.00 0.91 0.00 0.00 0.00 179.25 180.40 1m90 n TRP 59 N -3.95 0.02 -0.31 0.00 7.02 -0.46 -4.61 117.44 115.15 1m90 n TRP 59 Ca -0.02 -0.01 0.10 0.00 -1.02 0.00 0.00 57.50 56.55 1m90 n TRP 59 Cb 0.28 0.00 0.20 0.00 -2.42 0.00 0.00 31.31 29.37 1m90 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1m90 n ALA 60 N 1.11 0.35 -1.40 6.99 0.00 0.29 -0.55 120.51 127.29 1m90 n ALA 60 Ca 0.15 0.96 -0.21 0.00 0.00 0.00 0.00 53.44 54.34 1m90 n ALA 60 Cb 0.55 -0.64 0.15 0.00 0.00 0.00 0.00 19.45 19.50 1m90 n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1m90 n ARG 61 N -5.35 2.35 0.00 0.00 1.74 -1.26 -5.06 116.66 109.08 1m90 n ARG 61 Ca 0.18 -3.24 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 1m90 n ARG 61 Cb 0.58 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1m90 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m90 n GLY 62 N -1.05 -0.07 0.24 -0.13 0.00 0.28 -3.96 105.19 100.50 1m90 n GLY 62 Ca 0.51 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.77 1m90 n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1m90 h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.88 -3.30 114.38 113.24 1m90 h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1m90 h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1m90 h ARG 63 CO 0.00 0.10 -1.67 0.00 -1.51 0.00 0.00 179.97 176.90 1m90 n ALA 64 N -2.14 3.45 -3.37 2.80 0.00 -1.26 -1.50 120.51 118.49 1m90 n ALA 64 Ca 0.01 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.57 1m90 n ALA 64 Cb 0.43 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 1m90 n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m90 n ASN 65 N -2.01 4.67 -4.85 0.00 3.02 -1.24 -4.76 115.26 110.09 1m90 n ASN 65 Ca -0.01 -3.34 -0.33 0.00 -0.03 0.00 0.00 54.58 50.86 1m90 n ASN 65 Cb 0.49 -0.96 -0.06 0.00 -0.61 0.00 0.00 39.78 38.64 1m90 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1m90 s THR 66 N -2.24 4.70 0.59 3.41 2.01 -1.26 -4.23 115.64 118.60 1m90 s THR 66 Ca 0.33 0.95 -0.16 0.00 0.31 0.00 0.00 61.69 63.12 1m90 s THR 66 Cb 0.05 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1m90 s THR 66 CO -0.01 -0.08 1.06 -2.16 -0.69 0.00 0.00 174.62 172.74 1m90 s PRO 67 N -2.74 3.33 0.47 4.92 0.04 -1.26 -4.96 135.00 134.80 1m90 s PRO 67 Ca 0.51 1.25 0.26 0.00 0.04 0.00 0.00 61.00 63.06 1m90 s PRO 67 Cb -0.12 -2.03 1.01 0.00 0.04 0.00 0.00 34.50 33.40 1m90 s PRO 67 CO 0.19 -0.81 1.86 0.66 0.04 0.00 0.00 177.00 178.94 1m90 h SER 68 N 0.54 0.00 -5.85 6.66 4.64 -1.95 -3.44 113.55 114.16 1m90 h SER 68 Ca -0.47 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.40 1m90 h SER 68 Cb 1.22 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.20 1m90 h SER 68 CO 0.57 0.16 -0.42 -0.54 -0.87 0.00 0.00 176.83 175.73 1m90 s LYS 69 N -3.64 1.84 -0.30 4.77 1.02 -1.26 0.37 119.74 122.54 1m90 s LYS 69 Ca 0.01 -2.00 -0.16 0.00 0.02 0.00 0.00 55.97 53.85 1m90 s LYS 69 Cb 0.10 0.36 0.17 0.00 -0.52 0.00 0.00 37.83 37.93 1m90 s LYS 69 CO 0.61 -0.70 1.03 -1.50 -0.92 0.00 0.00 175.35 173.87 1m90 s ILE 70 N -3.29 -0.32 -0.16 2.17 2.07 -0.89 -4.90 121.20 115.88 1m90 s ILE 70 Ca 0.39 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.35 1m90 s ILE 70 Cb 0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 1m90 s ILE 70 CO 0.27 0.00 0.96 -0.13 -1.91 0.00 0.00 174.94 174.14 1m90 s ARG 71 N 2.09 4.33 -0.05 3.50 0.52 -1.26 -1.35 118.95 126.74 1m90 s ARG 71 Ca -0.04 1.27 0.03 0.00 -0.52 0.00 0.00 55.73 56.47 1m90 s ARG 71 Cb -0.05 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.84 1m90 s ARG 71 CO -0.16 -0.42 -0.14 0.54 0.02 0.00 0.00 175.30 175.13 1m90 s VAL 72 N 2.42 1.26 -0.29 3.52 0.11 0.12 -3.64 120.40 123.90 1m90 s VAL 72 Ca 0.44 -0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 58.78 1m90 s VAL 72 Cb -0.17 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1m90 s VAL 72 CO 0.13 0.37 0.22 -0.60 -3.33 0.00 0.00 175.10 171.89 1m90 s ARG 73 N 0.31 3.86 0.06 1.54 3.52 -0.54 -0.32 118.95 127.40 1m90 s ARG 73 Ca -0.09 -0.35 0.07 0.00 -0.13 0.00 0.00 55.73 55.24 1m90 s ARG 73 Cb -0.13 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.54 1m90 s ARG 73 CO 0.03 -0.25 -0.18 0.00 -0.81 0.00 0.00 175.30 174.09 1m90 s ALA 74 N 1.79 1.55 0.05 6.12 0.00 -0.73 -1.37 121.76 129.18 1m90 s ALA 74 Ca 0.08 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1m90 s ALA 74 Cb -0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1m90 s ALA 74 CO 0.11 0.31 -0.23 0.00 0.00 0.00 0.00 175.76 175.95 1m90 s ALA 75 N -0.97 1.96 -0.03 0.00 0.00 -0.17 -1.67 121.76 120.87 1m90 s ALA 75 Ca 0.05 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 50.91 1m90 s ALA 75 Cb -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1m90 s ALA 75 CO 0.02 0.45 -0.24 0.50 0.00 0.00 0.00 175.76 176.49 1m90 s ARG 76 N -1.30 2.23 0.00 0.00 3.52 -1.26 -1.23 118.95 120.91 1m90 s ARG 76 Ca 0.09 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 1m90 s ARG 76 Cb -0.09 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 31.19 1m90 s ARG 76 CO 0.02 0.55 0.00 1.97 -0.81 0.00 0.00 175.30 177.03 1m90 n PHE 77 N 2.48 0.00 -0.44 5.12 1.16 -0.74 -4.73 117.46 120.32 1m90 n PHE 77 Ca -0.16 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.44 1m90 n PHE 77 Cb 0.51 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.38 1m90 n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1m90 n GLU 78 N 0.00 -0.34 0.00 3.97 2.13 -1.26 -1.61 120.64 123.54 1m90 n GLU 78 Ca 0.00 0.22 0.14 0.00 0.66 0.00 0.00 57.16 58.18 1m90 n GLU 78 Cb 0.00 -0.41 0.65 0.00 0.27 0.00 0.00 31.44 31.95 1m90 n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1m90 n GLU 79 N -1.33 0.11 0.00 5.31 -0.00 -1.26 -3.57 120.64 119.91 1m90 n GLU 79 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1m90 n GLU 79 Cb 0.08 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.02 1m90 n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1m90 n GLU 80 N -1.44 4.50 -0.13 3.44 2.13 -1.26 -5.11 120.64 122.76 1m90 n GLU 80 Ca 0.09 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1m90 n GLU 80 Cb 0.31 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.46 1m90 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1m90 n GLY 81 N 0.67 -2.37 3.78 8.31 0.00 -1.23 -4.99 105.19 109.36 1m90 n GLY 81 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 1m90 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1m90 s GLU 82 N -3.81 1.14 -0.01 1.61 -1.05 -0.63 -4.83 118.70 111.12 1m90 s GLU 82 Ca 0.00 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.16 1m90 s GLU 82 Cb 0.00 0.36 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1m90 s GLU 82 CO 0.00 -0.53 -0.00 0.00 0.95 0.00 0.00 175.26 175.68 1m90 s ALA 83 N -2.85 0.17 -0.13 -0.84 0.00 -1.10 -1.79 121.76 115.21 1m90 s ALA 83 Ca 0.15 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1m90 s ALA 83 Cb -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1m90 s ALA 83 CO 0.02 -0.02 -0.18 0.42 0.00 0.00 0.00 175.76 176.00 1m90 s ILE 84 N 0.46 2.52 0.11 0.00 1.01 -0.37 -1.00 121.20 123.93 1m90 s ILE 84 Ca -0.04 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1m90 s ILE 84 Cb -0.06 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1m90 s ILE 84 CO -0.01 0.53 -0.13 -0.69 0.00 0.00 0.00 174.94 174.64 1m90 s VAL 85 N 0.57 1.22 0.29 2.92 1.01 -0.46 -1.00 120.40 124.96 1m90 s VAL 85 Ca -0.11 -1.63 -0.09 0.00 0.00 0.00 0.00 61.98 60.15 1m90 s VAL 85 Cb -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1m90 s VAL 85 CO 0.04 -0.40 0.50 -1.83 0.00 0.00 0.00 175.10 173.40 1m90 s GLU 86 N -2.51 1.72 1.39 2.72 -1.05 -0.47 0.16 118.70 120.65 1m90 s GLU 86 Ca 0.06 -1.44 -0.23 0.00 -0.15 0.00 0.00 54.97 53.21 1m90 s GLU 86 Cb -0.05 0.47 0.36 0.00 -0.44 0.00 0.00 34.13 34.46 1m90 s GLU 86 CO 0.02 -0.72 0.98 0.00 0.95 0.00 0.00 175.26 176.49 1m90 s ALA 87 N -3.55 -0.36 0.00 -0.84 0.00 -1.26 -1.46 121.76 114.28 1m90 s ALA 87 Ca 0.25 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1m90 s ALA 87 Cb -0.01 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1m90 s ALA 87 CO 0.13 -4.41 0.00 0.39 0.00 0.00 0.00 175.76 171.87