#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s ARG 8 N 0.00 0.16 -0.20 5.31 1.70 -0.68 -4.99 118.95 120.25 1jj2 s ARG 8 Ca 0.00 -0.08 -0.07 0.00 -0.47 0.00 0.00 55.73 55.11 1jj2 s ARG 8 Cb 0.00 0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 1jj2 s ARG 8 CO 0.00 -0.07 0.07 0.08 -1.08 0.00 0.00 175.30 174.30 1jj2 s VAL 9 N -2.19 4.69 0.06 4.99 1.01 -1.26 -1.83 120.40 125.86 1jj2 s VAL 9 Ca 0.13 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1jj2 s VAL 9 Cb 0.03 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1jj2 s VAL 9 CO -0.04 0.42 -0.16 -0.69 0.00 0.00 0.00 175.10 174.63 1jj2 s VAL 10 N 0.73 1.27 -0.37 2.92 1.01 0.42 -4.97 120.40 121.40 1jj2 s VAL 10 Ca 0.04 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1jj2 s VAL 10 Cb -0.13 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1jj2 s VAL 10 CO 0.02 -0.05 0.22 -0.89 0.00 0.00 0.00 175.10 174.40 1jj2 s THR 11 N -1.01 4.74 -0.23 3.92 2.01 -1.26 -0.02 115.64 123.78 1jj2 s THR 11 Ca 0.02 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 1jj2 s THR 11 Cb -0.09 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1jj2 s THR 11 CO 0.02 -0.20 0.48 -0.63 -0.69 0.00 0.00 174.62 173.59 1jj2 s ILE 12 N 1.59 5.12 0.05 1.82 -1.09 -0.55 -4.93 121.20 123.20 1jj2 s ILE 12 Ca 0.03 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 58.99 1jj2 s ILE 12 Cb -0.19 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 1jj2 s ILE 12 CO 0.07 0.15 0.92 -2.16 -1.23 0.00 0.00 174.94 172.70 1jj2 s PRO 13 N 1.91 4.60 -0.22 2.79 0.04 -1.26 -2.17 135.00 140.69 1jj2 s PRO 13 Ca 0.21 1.35 0.13 0.00 0.04 0.00 0.00 61.00 62.72 1jj2 s PRO 13 Cb -0.15 -3.41 0.46 0.00 0.04 0.00 0.00 34.50 31.43 1jj2 s PRO 13 CO 0.09 0.12 1.35 1.28 0.04 0.00 0.00 177.00 179.88 1jj2 n LEU 14 N 3.26 3.48 0.24 -3.56 4.77 0.15 -4.68 117.00 120.66 1jj2 n LEU 14 Ca 0.03 -3.53 0.07 0.00 -0.03 0.00 0.00 56.01 52.55 1jj2 n LEU 14 Cb 0.50 -0.56 0.56 0.00 -2.33 0.00 0.00 43.42 41.60 1jj2 n LEU 14 CO 0.51 1.08 0.93 0.08 -1.33 0.00 0.00 177.39 178.65 1jj2 h ARG 15 N 0.99 0.00 0.00 3.23 0.11 -1.91 -2.50 114.38 114.29 1jj2 h ARG 15 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1jj2 h ARG 15 Cb 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 1jj2 h ARG 15 CO 0.21 0.15 0.00 -0.25 0.10 0.00 0.00 179.97 180.18 1jj2 n ASP 16 N -4.20 0.00 0.13 0.08 8.00 -1.26 -2.38 116.55 116.91 1jj2 n ASP 16 Ca -0.02 0.18 0.13 0.00 0.71 0.00 0.00 54.79 55.78 1jj2 n ASP 16 Cb 0.23 -0.36 0.44 0.00 -0.02 0.00 0.00 41.12 41.41 1jj2 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jj2 h ALA 17 N 2.87 1.00 0.00 2.24 0.00 -1.81 -2.90 119.26 120.67 1jj2 h ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jj2 h ALA 17 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jj2 h ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1jj2 h ARG 18 N 0.00 0.00 0.00 0.00 3.08 -1.66 -2.65 114.38 113.14 1jj2 h ARG 18 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1jj2 h ARG 18 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1jj2 h ARG 18 CO 0.00 0.00 -0.23 0.00 -1.07 0.00 0.00 179.97 178.67 1jj2 h ALA 19 N 2.19 0.97 -2.31 0.04 0.00 -1.72 -3.44 119.26 114.98 1jj2 h ALA 19 Ca 0.00 -0.21 -0.49 0.00 0.00 0.00 0.00 54.91 54.21 1jj2 h ALA 19 Cb 0.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jj2 h ALA 19 CO 0.00 0.29 0.12 -2.00 0.00 0.00 0.00 179.25 177.66 1jj2 s GLU 20 N -3.51 3.85 0.29 0.00 2.56 -1.00 -5.01 118.70 115.88 1jj2 s GLU 20 Ca 0.02 0.54 -0.30 0.00 0.00 0.00 0.00 54.97 55.23 1jj2 s GLU 20 Cb 0.09 -2.40 -0.12 0.00 2.00 0.00 0.00 34.13 33.70 1jj2 s GLU 20 CO 0.65 0.02 1.46 -0.35 -0.56 0.00 0.00 175.26 176.47 1jj2 n PRO 21 N -1.02 2.34 -0.34 4.30 -0.04 -1.26 -4.85 135.00 134.13 1jj2 n PRO 21 Ca 0.03 0.83 0.20 0.00 -0.04 0.00 0.00 63.50 64.52 1jj2 n PRO 21 Cb 0.54 -2.52 0.44 0.00 -0.04 0.00 0.00 33.50 31.92 1jj2 n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1jj2 h ASN 22 N 3.96 0.57 0.00 3.54 2.35 -1.90 -0.48 115.58 123.62 1jj2 h ASN 22 Ca -0.46 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1jj2 h ASN 22 Cb 1.26 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1jj2 h ASN 22 CO 0.73 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 176.59 1jj2 n HIS 23 N -4.80 0.00 -1.60 1.19 1.44 -1.26 -3.05 115.22 107.14 1jj2 n HIS 23 Ca 0.27 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.04 1jj2 n HIS 23 Cb 0.83 0.00 0.09 0.00 0.12 0.00 0.00 29.99 31.03 1jj2 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1jj2 n LYS 24 N -0.99 0.76 0.18 -1.40 5.02 -0.19 -4.44 118.16 117.10 1jj2 n LYS 24 Ca 0.14 -2.09 -0.14 0.00 -2.02 0.00 0.00 58.31 54.20 1jj2 n LYS 24 Cb 0.07 -1.02 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 1jj2 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jj2 h ARG 25 N 0.24 -0.58 -0.90 1.97 3.08 -1.37 -3.07 114.38 113.75 1jj2 h ARG 25 Ca -0.02 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.21 1jj2 h ARG 25 Cb 1.23 0.13 -0.15 0.00 0.08 0.00 0.00 29.97 31.26 1jj2 h ARG 25 CO 0.01 -0.39 -0.35 0.00 -1.07 0.00 0.00 179.97 178.18 1jj2 n ALA 26 N -2.59 -0.10 -0.03 0.04 0.00 -0.66 0.33 120.51 117.51 1jj2 n ALA 26 Ca -0.09 0.90 -0.09 0.00 0.00 0.00 0.00 53.44 54.17 1jj2 n ALA 26 Cb 0.31 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 1jj2 n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jj2 h ASP 27 N 0.00 -0.17 -0.73 0.00 3.45 -1.82 -0.34 116.42 116.81 1jj2 h ASP 27 Ca 0.32 0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.77 1jj2 h ASP 27 Cb 0.55 0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.40 1jj2 h ASP 27 CO -0.90 -0.06 0.21 0.50 -1.57 0.00 0.00 179.24 177.42 1jj2 h LYS 28 N -0.00 1.15 -0.09 3.56 1.63 -0.25 -2.48 116.57 120.09 1jj2 h LYS 28 Ca 0.09 -0.26 0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1jj2 h LYS 28 Cb 0.13 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1jj2 h LYS 28 CO -0.18 0.99 -0.04 0.00 -3.45 0.00 0.00 179.45 176.76 1jj2 h ALA 29 N 1.12 0.04 -0.17 5.00 0.00 0.33 -0.00 119.26 125.57 1jj2 h ALA 29 Ca 0.23 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1jj2 h ALA 29 Cb 0.33 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jj2 h ALA 29 CO -0.00 -0.51 0.18 1.98 0.00 0.00 0.00 179.25 180.90 1jj2 h MET 30 N -0.03 0.00 0.23 0.00 1.85 -0.71 -0.63 114.93 115.64 1jj2 h MET 30 Ca 0.05 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.81 1jj2 h MET 30 Cb 0.10 0.00 0.03 0.00 0.43 0.00 0.00 31.60 32.17 1jj2 h MET 30 CO -0.11 0.00 -1.50 0.82 -0.40 0.00 0.00 176.91 175.72 1jj2 h ILE 31 N 0.00 1.22 -0.62 1.77 2.04 -0.72 -3.15 117.51 118.04 1jj2 h ILE 31 Ca 0.08 -2.64 0.04 0.00 1.00 0.00 0.00 64.86 63.34 1jj2 h ILE 31 Cb 0.43 2.99 -0.05 0.00 -0.74 0.00 0.00 36.82 39.46 1jj2 h ILE 31 CO -0.00 0.81 0.36 -0.07 0.00 0.00 0.00 178.15 179.25 1jj2 h LEU 32 N 0.10 0.56 -1.15 1.44 3.38 0.40 -1.06 115.31 118.98 1jj2 h LEU 32 Ca -0.27 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1jj2 h LEU 32 Cb 2.12 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.72 1jj2 h LEU 32 CO 0.25 0.38 0.58 0.40 0.09 0.00 0.00 178.44 180.14 1jj2 h ILE 33 N 0.69 1.13 -0.17 1.22 2.04 -1.36 0.78 117.51 121.85 1jj2 h ILE 33 Ca 0.26 -0.37 -0.20 0.00 1.00 0.00 0.00 64.86 65.55 1jj2 h ILE 33 Cb 0.09 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1jj2 h ILE 33 CO -0.14 0.20 -0.71 -0.09 0.00 0.00 0.00 178.15 177.42 1jj2 h ARG 34 N 1.08 0.71 -0.16 2.37 2.43 -1.32 -2.80 114.38 116.69 1jj2 h ARG 34 Ca 0.36 -0.54 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 1jj2 h ARG 34 Cb 0.07 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1jj2 h ARG 34 CO -0.11 1.16 -0.53 0.93 -1.51 0.00 0.00 179.97 179.90 1jj2 h GLU 35 N 0.51 0.47 0.22 0.20 5.08 -0.67 -1.96 114.58 118.42 1jj2 h GLU 35 Ca -0.03 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1jj2 h GLU 35 Cb 1.31 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1jj2 h GLU 35 CO 0.14 0.88 -0.11 1.25 -1.00 0.00 0.00 179.01 180.18 1jj2 h HIS 36 N 0.36 -0.27 -0.86 4.33 2.76 -0.87 -1.85 115.15 118.76 1jj2 h HIS 36 Ca 0.01 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1jj2 h HIS 36 Cb 1.05 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 30.06 1jj2 h HIS 36 CO 0.04 -0.01 0.48 -0.07 -1.30 0.00 0.00 177.93 177.07 1jj2 h LEU 37 N -0.52 1.06 -0.75 0.26 3.38 -1.52 -0.82 115.31 116.41 1jj2 h LEU 37 Ca -0.03 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1jj2 h LEU 37 Cb 0.39 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1jj2 h LEU 37 CO 0.05 0.84 0.48 0.00 0.09 0.00 0.00 178.44 179.91 1jj2 h ALA 38 N 1.33 0.97 0.09 1.53 0.00 -1.22 -1.01 119.26 120.94 1jj2 h ALA 38 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jj2 h ALA 38 Cb 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1jj2 h ALA 38 CO -0.05 0.31 -0.04 -0.22 0.00 0.00 0.00 179.25 179.25 1jj2 h LYS 39 N 0.96 -0.11 0.00 0.00 3.64 -0.89 0.12 116.57 120.29 1jj2 h LYS 39 Ca 0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1jj2 h LYS 39 Cb -0.04 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1jj2 h LYS 39 CO -0.09 0.43 0.00 0.72 -2.27 0.00 0.00 179.45 178.24 1jj2 n HIS 40 N -4.84 0.81 -0.58 1.91 8.25 -0.35 -2.17 115.22 118.25 1jj2 n HIS 40 Ca -0.08 0.33 0.06 0.00 -0.26 0.00 0.00 57.72 57.77 1jj2 n HIS 40 Cb 0.29 -1.03 0.13 0.00 1.12 0.00 0.00 29.99 30.50 1jj2 n HIS 40 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1jj2 n PHE 41 N -2.25 0.28 -3.77 4.41 3.01 -0.39 -5.02 117.46 113.74 1jj2 n PHE 41 Ca 0.02 -0.74 -0.26 0.00 1.01 0.00 0.00 57.45 57.47 1jj2 n PHE 41 Cb 0.22 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1jj2 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1jj2 n SER 42 N -0.62 -4.83 -3.82 4.37 7.64 -0.92 -4.98 113.62 110.46 1jj2 n SER 42 Ca 0.12 -0.90 -0.09 0.00 1.01 0.00 0.00 58.87 59.01 1jj2 n SER 42 Cb 0.54 -1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.10 1jj2 n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jj2 s VAL 43 N -2.82 0.11 0.32 0.44 1.01 0.39 -4.98 120.40 114.86 1jj2 s VAL 43 Ca 0.04 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 1jj2 s VAL 43 Cb -0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 1jj2 s VAL 43 CO 0.89 -0.50 1.03 -1.81 0.00 0.00 0.00 175.10 174.71 1jj2 s ASP 44 N -2.87 7.17 0.60 3.32 1.11 -1.26 -4.43 116.67 120.31 1jj2 s ASP 44 Ca 0.07 2.05 0.30 0.00 0.18 0.00 0.00 52.55 55.16 1jj2 s ASP 44 Cb 0.04 -2.60 1.73 0.00 1.07 0.00 0.00 42.92 43.15 1jj2 s ASP 44 CO -0.09 -0.20 2.10 -0.33 1.18 0.00 0.00 175.17 177.83 1jj2 h GLU 45 N 3.29 0.00 -0.05 8.23 5.08 -1.90 0.34 114.58 129.57 1jj2 h GLU 45 Ca -0.47 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 1jj2 h GLU 45 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1jj2 h GLU 45 CO 0.65 0.00 -0.37 -0.44 -1.00 0.00 0.00 179.01 177.85 1jj2 h ASP 46 N 0.00 0.10 0.24 1.42 3.32 -1.96 -3.11 116.42 116.43 1jj2 h ASP 46 Ca 0.07 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1jj2 h ASP 46 Cb 0.48 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1jj2 h ASP 46 CO -0.00 0.47 -0.16 0.00 -1.72 0.00 0.00 179.24 177.83 1jj2 n ALA 47 N -2.47 2.88 -2.65 3.45 0.00 0.12 -4.84 120.51 117.00 1jj2 n ALA 47 Ca -0.02 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1jj2 n ALA 47 Cb 0.42 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1jj2 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jj2 s VAL 48 N -2.41 4.96 -0.19 0.00 1.01 -1.18 -2.43 120.40 120.17 1jj2 s VAL 48 Ca 0.29 1.30 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 1jj2 s VAL 48 Cb 0.20 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1jj2 s VAL 48 CO 0.47 0.05 -0.00 -0.60 0.00 0.00 0.00 175.10 175.02 1jj2 s ARG 49 N 2.22 3.64 -0.23 2.72 3.52 -0.06 -4.98 118.95 125.78 1jj2 s ARG 49 Ca 0.30 -0.51 -0.08 0.00 -0.13 0.00 0.00 55.73 55.31 1jj2 s ARG 49 Cb -0.16 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 1jj2 s ARG 49 CO 0.10 0.06 0.09 -0.51 -0.81 0.00 0.00 175.30 174.23 1jj2 s LEU 50 N 0.86 3.70 0.19 -0.88 1.43 -1.26 -1.44 118.68 121.28 1jj2 s LEU 50 Ca 0.01 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 1jj2 s LEU 50 Cb -0.14 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.02 1jj2 s LEU 50 CO 0.02 0.05 1.29 -0.62 0.23 0.00 0.00 176.35 177.31 1jj2 s ASP 51 N 1.14 6.93 0.49 2.29 -1.08 0.44 -4.85 116.67 122.02 1jj2 s ASP 51 Ca 0.05 2.36 0.40 0.00 -0.52 0.00 0.00 52.55 54.85 1jj2 s ASP 51 Cb -0.14 -2.61 1.39 0.00 -1.46 0.00 0.00 42.92 40.10 1jj2 s ASP 51 CO 0.04 -0.50 1.31 -2.65 0.52 0.00 0.00 175.17 173.89 1jj2 n PRO 52 N 2.64 0.00 -0.20 4.34 -0.02 -1.26 0.62 135.00 141.12 1jj2 n PRO 52 Ca 0.06 0.93 -0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1jj2 n PRO 52 Cb 0.43 -2.17 0.11 0.00 -0.02 0.00 0.00 33.50 31.85 1jj2 n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jj2 h SER 53 N 0.00 0.17 -0.51 2.55 4.64 -1.93 0.77 113.55 119.24 1jj2 h SER 53 Ca 0.75 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 62.15 1jj2 h SER 53 Cb 3.16 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 65.31 1jj2 h SER 53 CO -0.01 0.10 0.29 0.40 -0.87 0.00 0.00 176.83 176.75 1jj2 h ILE 54 N 0.37 1.16 0.02 0.95 2.04 -0.16 -1.18 117.51 120.71 1jj2 h ILE 54 Ca 0.30 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1jj2 h ILE 54 Cb 0.39 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1jj2 h ILE 54 CO -0.32 0.17 -0.06 -1.13 0.00 0.00 0.00 178.15 176.81 1jj2 h ASN 55 N 0.68 -0.16 -0.04 1.72 -1.24 -1.28 -1.30 115.58 113.96 1jj2 h ASN 55 Ca 0.18 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1jj2 h ASN 55 Cb 0.02 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1jj2 h ASN 55 CO -0.03 -0.09 -0.00 -0.33 -1.29 0.00 0.00 177.43 175.69 1jj2 h GLU 56 N -0.11 0.14 -0.14 6.67 5.08 -0.69 -0.63 114.58 124.90 1jj2 h GLU 56 Ca 0.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1jj2 h GLU 56 Cb 0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1jj2 h GLU 56 CO -0.05 0.16 -0.04 0.00 -1.00 0.00 0.00 179.01 178.08 1jj2 h ALA 57 N 1.86 0.20 -0.01 3.43 0.00 -0.54 -0.80 119.26 123.40 1jj2 h ALA 57 Ca 0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1jj2 h ALA 57 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jj2 h ALA 57 CO 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 179.25 178.85 1jj2 h ALA 58 N 0.70 1.38 -0.40 0.00 0.00 -0.58 -2.81 119.26 117.55 1jj2 h ALA 58 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jj2 h ALA 58 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jj2 h ALA 58 CO 0.02 0.46 0.00 0.91 0.00 0.00 0.00 179.25 180.64 1jj2 n TRP 59 N -4.11 0.52 -0.29 0.00 7.02 -0.31 -4.60 117.44 115.68 1jj2 n TRP 59 Ca -0.02 -0.26 0.11 0.00 -1.02 0.00 0.00 57.50 56.31 1jj2 n TRP 59 Cb 0.40 0.00 0.26 0.00 -2.42 0.00 0.00 31.31 29.55 1jj2 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jj2 h ALA 60 N 4.31 1.22 -0.62 6.99 0.00 -0.87 -1.18 119.26 129.11 1jj2 h ALA 60 Ca 0.00 0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 1jj2 h ALA 60 Cb 0.83 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 1jj2 h ALA 60 CO 0.00 -0.39 0.22 0.54 0.00 0.00 0.00 179.25 179.63 1jj2 n ARG 61 N -5.15 2.75 0.00 0.00 1.74 -1.26 -5.06 116.66 109.67 1jj2 n ARG 61 Ca 0.19 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.21 1jj2 n ARG 61 Cb 0.61 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1jj2 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 62 N -0.71 0.29 0.26 -0.13 0.00 -0.45 -4.07 105.19 100.38 1jj2 n GLY 62 Ca 0.40 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.65 1jj2 n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jj2 h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.88 -3.25 114.38 113.29 1jj2 h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jj2 h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1jj2 h ARG 63 CO 0.00 0.08 -1.50 0.00 -1.51 0.00 0.00 179.97 177.04 1jj2 n ALA 64 N -2.15 3.68 -3.50 2.80 0.00 -1.26 -1.65 120.51 118.43 1jj2 n ALA 64 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 1jj2 n ALA 64 Cb 0.33 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 1jj2 n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jj2 n ASN 65 N -1.92 4.11 -4.82 0.00 3.02 -1.23 -4.79 115.26 109.64 1jj2 n ASN 65 Ca -0.00 -3.33 -0.36 0.00 -0.03 0.00 0.00 54.58 50.85 1jj2 n ASN 65 Cb 0.46 -0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 1jj2 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jj2 s THR 66 N -2.11 4.61 0.61 3.41 2.01 -1.26 -4.28 115.64 118.64 1jj2 s THR 66 Ca 0.33 1.24 -0.17 0.00 0.31 0.00 0.00 61.69 63.40 1jj2 s THR 66 Cb 0.05 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1jj2 s THR 66 CO -0.05 0.25 1.13 -2.16 -0.69 0.00 0.00 174.62 173.11 1jj2 s PRO 67 N -1.87 2.98 0.52 4.92 0.04 -1.26 -4.94 135.00 135.40 1jj2 s PRO 67 Ca 0.41 1.53 0.31 0.00 0.04 0.00 0.00 61.00 63.29 1jj2 s PRO 67 Cb -0.17 -1.96 1.19 0.00 0.04 0.00 0.00 34.50 33.60 1jj2 s PRO 67 CO 0.21 -1.13 1.92 0.66 0.04 0.00 0.00 177.00 178.70 1jj2 h SER 68 N 0.52 0.00 -5.57 6.66 4.64 -1.96 -3.43 113.55 114.41 1jj2 h SER 68 Ca -0.48 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.60 1jj2 h SER 68 Cb 1.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 1jj2 h SER 68 CO 0.55 0.04 -0.51 -0.54 -0.87 0.00 0.00 176.83 175.51 1jj2 s LYS 69 N -3.63 1.35 -0.30 4.77 1.02 -1.26 0.35 119.74 122.05 1jj2 s LYS 69 Ca 0.02 -1.62 -0.12 0.00 0.02 0.00 0.00 55.97 54.26 1jj2 s LYS 69 Cb 0.09 0.32 0.14 0.00 -0.52 0.00 0.00 37.83 37.85 1jj2 s LYS 69 CO 0.57 -0.48 0.79 -1.50 -0.92 0.00 0.00 175.35 173.81 1jj2 s ILE 70 N -4.00 -0.70 -0.12 2.17 2.07 -0.92 -4.93 121.20 114.76 1jj2 s ILE 70 Ca 0.36 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.32 1jj2 s ILE 70 Cb 0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.62 1jj2 s ILE 70 CO 0.14 0.00 0.93 -0.13 -1.91 0.00 0.00 174.94 173.97 1jj2 s ARG 71 N 2.57 4.39 -0.03 3.50 0.52 -1.26 -1.48 118.95 127.15 1jj2 s ARG 71 Ca -0.05 1.24 0.04 0.00 -0.52 0.00 0.00 55.73 56.43 1jj2 s ARG 71 Cb -0.09 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 31.83 1jj2 s ARG 71 CO -0.18 -0.29 -0.13 0.54 0.02 0.00 0.00 175.30 175.25 1jj2 s VAL 72 N 1.96 1.11 -0.27 3.52 0.11 0.97 -3.63 120.40 124.16 1jj2 s VAL 72 Ca 0.44 -0.55 -0.10 0.00 -2.93 0.00 0.00 61.98 58.84 1jj2 s VAL 72 Cb -0.18 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1jj2 s VAL 72 CO 0.16 0.33 0.16 -0.60 -3.33 0.00 0.00 175.10 171.82 1jj2 s ARG 73 N 0.02 3.90 0.06 1.54 3.52 -0.12 -0.44 118.95 127.43 1jj2 s ARG 73 Ca -0.02 -0.35 0.06 0.00 -0.13 0.00 0.00 55.73 55.30 1jj2 s ARG 73 Cb -0.09 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1jj2 s ARG 73 CO 0.01 -0.16 -0.16 0.00 -0.81 0.00 0.00 175.30 174.17 1jj2 s ALA 74 N 1.68 1.37 0.08 6.12 0.00 -0.76 -0.69 121.76 129.56 1jj2 s ALA 74 Ca 0.07 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.15 1jj2 s ALA 74 Cb -0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1jj2 s ALA 74 CO 0.09 0.26 -0.23 0.00 0.00 0.00 0.00 175.76 175.88 1jj2 s ALA 75 N -0.98 1.97 -0.03 0.00 0.00 -0.10 -1.68 121.76 120.93 1jj2 s ALA 75 Ca 0.03 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.83 1jj2 s ALA 75 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1jj2 s ALA 75 CO 0.02 0.44 -0.23 0.50 0.00 0.00 0.00 175.76 176.49 1jj2 s ARG 76 N -1.55 2.02 0.00 0.00 3.52 -1.26 -0.76 118.95 120.93 1jj2 s ARG 76 Ca 0.09 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1jj2 s ARG 76 Cb -0.10 -1.86 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 1jj2 s ARG 76 CO 0.03 0.43 0.00 1.97 -0.81 0.00 0.00 175.30 176.92 1jj2 n PHE 77 N 2.71 0.00 -1.48 5.12 1.16 -0.72 -4.73 117.46 119.52 1jj2 n PHE 77 Ca -0.16 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.44 1jj2 n PHE 77 Cb 0.52 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.39 1jj2 n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1jj2 n GLU 78 N 0.00 -0.36 0.00 3.97 2.13 -1.26 -1.67 120.64 123.45 1jj2 n GLU 78 Ca 0.00 0.23 0.13 0.00 0.66 0.00 0.00 57.16 58.19 1jj2 n GLU 78 Cb 0.00 -0.43 0.50 0.00 0.27 0.00 0.00 31.44 31.78 1jj2 n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1jj2 n GLU 79 N -1.19 0.12 0.00 5.31 -0.00 -1.26 -3.80 120.64 119.82 1jj2 n GLU 79 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 1jj2 n GLU 79 Cb 0.08 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.02 1jj2 n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1jj2 n GLU 80 N -1.41 5.74 -0.14 3.44 2.13 -1.26 -5.11 120.64 124.03 1jj2 n GLU 80 Ca 0.08 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1jj2 n GLU 80 Cb 0.33 -0.51 0.00 0.00 0.27 0.00 0.00 31.44 31.53 1jj2 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jj2 n GLY 81 N 0.83 -1.91 3.77 8.31 0.00 -1.23 -4.99 105.19 109.98 1jj2 n GLY 81 Ca 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.97 1jj2 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jj2 s GLU 82 N -3.78 1.18 -0.02 1.61 -1.05 -0.67 -4.81 118.70 111.16 1jj2 s GLU 82 Ca 0.00 -0.68 0.01 0.00 -0.15 0.00 0.00 54.97 54.15 1jj2 s GLU 82 Cb 0.00 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.09 1jj2 s GLU 82 CO 0.00 -0.54 -0.02 0.00 0.95 0.00 0.00 175.26 175.65 1jj2 s ALA 83 N -2.97 0.33 -0.17 -0.84 0.00 -1.02 -1.75 121.76 115.34 1jj2 s ALA 83 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 1jj2 s ALA 83 Cb -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 1jj2 s ALA 83 CO 0.03 -0.00 -0.13 0.42 0.00 0.00 0.00 175.76 176.07 1jj2 s ILE 84 N 0.53 2.78 0.11 0.00 1.01 0.06 -0.88 121.20 124.81 1jj2 s ILE 84 Ca -0.05 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1jj2 s ILE 84 Cb -0.08 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1jj2 s ILE 84 CO -0.01 0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 174.55 1jj2 s VAL 85 N 1.04 1.62 0.28 2.92 1.01 -0.52 -0.93 120.40 125.82 1jj2 s VAL 85 Ca -0.01 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 60.29 1jj2 s VAL 85 Cb -0.15 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1jj2 s VAL 85 CO -0.03 -0.17 0.42 -1.83 0.00 0.00 0.00 175.10 173.49 1jj2 s GLU 86 N -2.15 1.63 1.34 2.72 -1.05 0.14 -0.42 118.70 120.91 1jj2 s GLU 86 Ca 0.07 -1.50 -0.22 0.00 -0.15 0.00 0.00 54.97 53.17 1jj2 s GLU 86 Cb -0.09 0.43 0.34 0.00 -0.44 0.00 0.00 34.13 34.37 1jj2 s GLU 86 CO 0.04 -0.66 0.99 0.00 0.95 0.00 0.00 175.26 176.58 1jj2 n ALA 87 N -0.43 -4.28 -0.93 -0.84 0.00 -1.26 -0.95 120.51 111.82 1jj2 n ALA 87 Ca -0.00 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.85 1jj2 n ALA 87 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1jj2 n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89