#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fj6 s LYS 2 N 0.00 1.83 0.36 2.12 0.00 -1.26 -4.93 119.74 117.86 2fj6 s LYS 2 Ca 0.00 1.45 -0.29 0.00 0.00 0.00 0.00 55.97 57.14 2fj6 s LYS 2 Cb 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 37.83 35.89 2fj6 s LYS 2 CO 0.00 -2.01 1.53 0.45 0.00 0.00 0.00 175.35 175.33 2fj6 n SER 3 N -3.51 3.88 -0.28 0.03 2.88 -1.26 -4.85 113.62 110.51 2fj6 n SER 3 Ca 0.11 1.21 0.01 0.00 -1.33 0.00 0.00 58.87 58.87 2fj6 n SER 3 Cb 0.52 -1.62 0.15 0.00 -0.75 0.00 0.00 64.21 62.50 2fj6 n SER 3 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2fj6 h PHE 4 N 3.52 0.86 -1.00 0.66 3.04 -1.88 -1.13 116.94 121.00 2fj6 h PHE 4 Ca -0.50 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.51 2fj6 h PHE 4 Cb 1.23 -0.27 -0.06 0.00 2.56 0.00 0.00 35.95 39.42 2fj6 h PHE 4 CO 0.55 0.39 0.66 -0.92 -2.02 0.00 0.00 178.31 176.96 2fj6 h TYR 5 N 0.82 1.23 -0.04 0.41 3.20 -1.90 0.84 116.97 121.53 2fj6 h TYR 5 Ca 0.37 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 2fj6 h TYR 5 Cb 0.27 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 2fj6 h TYR 5 CO -0.06 0.72 -0.01 0.45 -1.64 0.00 0.00 178.16 177.62 2fj6 h HIS 6 N 1.28 0.10 -0.41 -3.82 3.86 -1.61 0.20 115.15 114.75 2fj6 h HIS 6 Ca 0.39 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.64 2fj6 h HIS 6 Cb -0.02 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 2fj6 h HIS 6 CO -0.00 0.43 0.09 -0.92 0.86 0.00 0.00 177.93 178.39 2fj6 h TYR 7 N -0.27 0.14 -0.27 2.45 3.20 -0.95 0.47 116.97 121.75 2fj6 h TYR 7 Ca 0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.95 2fj6 h TYR 7 Cb 0.40 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2fj6 h TYR 7 CO 0.05 0.02 0.18 1.25 -1.64 0.00 0.00 178.16 178.03 2fj6 h LEU 8 N 0.22 0.15 -2.44 2.82 5.85 -0.70 0.02 115.31 121.23 2fj6 h LEU 8 Ca 0.20 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2fj6 h LEU 8 Cb 0.23 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2fj6 h LEU 8 CO -0.25 0.10 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.85 2fj6 h LEU 9 N 0.17 0.00 -1.21 2.25 3.38 0.32 0.46 115.31 120.68 2fj6 h LEU 9 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2fj6 h LEU 9 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2fj6 h LEU 9 CO -0.02 0.02 0.00 0.50 0.09 0.00 0.00 178.44 179.04 2fj6 h LYS 10 N 0.00 0.00 -1.92 1.13 3.64 -0.68 -2.87 116.57 115.87 2fj6 h LYS 10 Ca -0.00 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.67 2fj6 h LYS 10 Cb 0.08 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.65 2fj6 h LYS 10 CO 0.00 0.00 0.92 0.66 -2.27 0.00 0.00 179.45 178.76 2fj6 n TYR 11 N -2.71 2.72 -1.02 1.91 4.01 0.15 -5.02 117.16 117.21 2fj6 n TYR 11 Ca 0.01 -2.30 -0.33 0.00 -0.16 0.00 0.00 57.90 55.12 2fj6 n TYR 11 Cb 0.26 -1.24 0.01 0.00 -0.31 0.00 0.00 39.34 38.06 2fj6 n TYR 11 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2fj6 n ARG 12 N -0.29 0.00 0.02 -0.72 5.12 -1.09 -4.53 116.66 115.16 2fj6 n ARG 12 Ca 0.53 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.33 2fj6 n ARG 12 Cb 0.33 -0.85 -0.09 0.00 -1.16 0.00 0.00 32.46 30.68 2fj6 n ARG 12 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2fj6 h HIS 13 N -0.20 -0.08 -0.27 -1.55 -0.00 -1.88 -3.44 115.15 107.72 2fj6 h HIS 13 Ca -0.36 -0.00 -0.74 0.00 -0.00 0.00 0.00 60.37 59.28 2fj6 h HIS 13 Cb 1.21 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.62 2fj6 h HIS 13 CO 0.19 0.39 1.04 -2.30 -0.00 0.00 0.00 177.93 177.25 2fj6 n PRO 14 N -4.90 0.00 -2.92 5.26 -0.02 -1.26 -2.16 135.00 129.00 2fj6 n PRO 14 Ca -0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.37 2fj6 n PRO 14 Cb 0.26 -1.38 0.01 0.00 -0.02 0.00 0.00 33.50 32.37 2fj6 n PRO 14 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2fj6 n LYS 15 N 5.94 -1.35 -1.24 -0.52 5.02 -1.26 -5.02 118.16 119.73 2fj6 n LYS 15 Ca 0.44 1.25 -0.29 0.00 -2.02 0.00 0.00 58.31 57.69 2fj6 n LYS 15 Cb -0.04 -5.30 0.19 0.00 -0.02 0.00 0.00 35.03 29.87 2fj6 n LYS 15 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2fj6 s PRO 16 N -3.26 -0.08 0.00 1.97 0.04 -0.92 -5.03 135.00 127.72 2fj6 s PRO 16 Ca 0.09 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2fj6 s PRO 16 Cb -0.01 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2fj6 s PRO 16 CO 0.66 -3.00 0.00 1.63 0.04 0.00 0.00 177.00 176.33 2fj6 n LYS 17 N -4.31 0.00 -1.88 4.56 4.01 -1.26 -5.03 118.16 114.25 2fj6 n LYS 17 Ca 0.09 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.58 2fj6 n LYS 17 Cb 0.59 0.00 0.04 0.00 -0.51 0.00 0.00 35.03 35.14 2fj6 n LYS 17 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2fj6 s ASP 18 N 0.26 5.61 0.27 4.39 1.11 -1.26 -4.84 116.67 122.21 2fj6 s ASP 18 Ca 0.00 1.19 0.00 0.00 0.18 0.00 0.00 52.55 53.92 2fj6 s ASP 18 Cb 0.00 -2.04 0.55 0.00 1.07 0.00 0.00 42.92 42.50 2fj6 s ASP 18 CO 0.00 -1.24 1.80 -1.28 1.18 0.00 0.00 175.17 175.63 2fj6 h SER 19 N -0.58 0.77 -0.76 0.27 0.87 -2.01 0.10 113.55 112.22 2fj6 h SER 19 Ca -0.45 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 2fj6 h SER 19 Cb 1.24 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.08 2fj6 h SER 19 CO 0.63 0.38 0.41 -0.29 -0.53 0.00 0.00 176.83 177.43 2fj6 h ILE 20 N 0.84 1.23 -0.26 2.23 2.10 -1.96 -0.43 117.51 121.26 2fj6 h ILE 20 Ca 0.49 -0.59 -0.02 0.00 1.08 0.00 0.00 64.86 65.82 2fj6 h ILE 20 Cb 0.57 0.20 -0.01 0.00 -1.09 0.00 0.00 36.82 36.49 2fj6 h ILE 20 CO -0.30 0.26 0.08 0.28 -1.08 0.00 0.00 178.15 177.38 2fj6 h SER 21 N 1.07 0.38 -0.97 2.19 0.02 -1.22 -2.34 113.55 112.69 2fj6 h SER 21 Ca 0.27 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2fj6 h SER 21 Cb 0.04 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.42 2fj6 h SER 21 CO -0.04 0.49 0.63 -0.33 -1.14 0.00 0.00 176.83 176.44 2fj6 h GLU 22 N 0.25 1.16 -1.01 3.45 4.39 -0.59 -0.48 114.58 121.76 2fj6 h GLU 22 Ca 0.08 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.74 2fj6 h GLU 22 Cb 0.24 -0.26 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 2fj6 h GLU 22 CO -0.00 0.77 0.66 0.35 -1.16 0.00 0.00 179.01 179.63 2fj6 h PHE 23 N 1.20 1.25 -0.59 4.33 3.04 -0.78 -1.42 116.94 123.98 2fj6 h PHE 23 Ca 0.39 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.43 2fj6 h PHE 23 Cb 0.04 -0.42 -0.05 0.00 2.56 0.00 0.00 35.95 38.08 2fj6 h PHE 23 CO -0.00 0.74 0.30 0.00 -2.02 0.00 0.00 178.31 177.32 2fj6 h ALA 24 N 1.40 0.77 -0.94 2.41 0.00 -0.56 -1.12 119.26 121.21 2fj6 h ALA 24 Ca 0.39 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.41 2fj6 h ALA 24 Cb -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2fj6 h ALA 24 CO -0.11 -0.05 0.59 -0.91 0.00 0.00 0.00 179.25 178.77 2fj6 h ASN 25 N 0.56 0.92 0.11 0.00 4.21 -0.87 -0.73 115.58 119.77 2fj6 h ASN 25 Ca 0.27 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.79 2fj6 h ASN 25 Cb 0.19 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 2fj6 h ASN 25 CO -0.19 0.57 -0.05 -0.61 -1.29 0.00 0.00 177.43 175.86 2fj6 h GLN 26 N 1.05 -0.14 -0.26 0.81 4.15 -0.88 -2.79 115.11 117.04 2fj6 h GLN 26 Ca 0.42 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.93 2fj6 h GLN 26 Cb 0.24 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2fj6 h GLN 26 CO -0.20 0.10 0.19 0.00 -1.93 0.00 0.00 178.83 176.99 2fj6 h ALA 27 N 0.49 2.25 -0.01 3.38 0.00 -0.78 0.16 119.26 124.76 2fj6 h ALA 27 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2fj6 h ALA 27 Cb 0.30 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2fj6 h ALA 27 CO 0.02 -0.32 0.01 -0.92 0.00 0.00 0.00 179.25 178.04 2fj6 h TYR 28 N 0.00 0.00 -0.01 0.00 5.03 -0.86 0.10 116.97 121.23 2fj6 h TYR 28 Ca 0.12 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2fj6 h TYR 28 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.78 2fj6 h TYR 28 CO -0.00 0.00 0.00 0.39 -1.32 0.00 0.00 178.16 177.23 2fj6 n GLU 29 N -4.46 1.34 -1.49 1.82 1.02 0.04 -4.88 120.64 114.04 2fj6 n GLU 29 Ca -0.03 -0.49 -0.24 0.00 -0.02 0.00 0.00 57.16 56.38 2fj6 n GLU 29 Cb 0.10 -1.48 0.17 0.00 -0.02 0.00 0.00 31.44 30.21 2fj6 n GLU 29 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2fj6 n ASP 30 N -0.39 -0.09 -0.42 1.62 2.03 0.36 -5.02 116.55 114.63 2fj6 n ASP 30 Ca 0.21 -1.36 -0.01 0.00 0.52 0.00 0.00 54.79 54.15 2fj6 n ASP 30 Cb 0.23 -0.83 -0.01 0.00 -0.72 0.00 0.00 41.12 39.79 2fj6 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fj6 n HIS 31 N -3.58 0.00 0.00 -0.67 1.44 -1.26 -4.97 115.22 106.18 2fj6 n HIS 31 Ca 0.13 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 2fj6 n HIS 31 Cb 0.47 0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.84 2fj6 n HIS 31 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2fj6 n SER 32 N 0.00 0.89 -4.58 4.39 2.88 -1.26 -5.09 113.62 110.85 2fj6 n SER 32 Ca -0.04 -0.01 -0.47 0.00 -1.33 0.00 0.00 58.87 57.01 2fj6 n SER 32 Cb 0.27 0.21 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 2fj6 n SER 32 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2fj6 n PHE 33 N -0.29 1.25 -0.71 0.66 7.35 -1.26 -4.75 117.46 119.70 2fj6 n PHE 33 Ca 0.00 0.69 -0.28 0.00 -0.76 0.00 0.00 57.45 57.10 2fj6 n PHE 33 Cb 0.00 -2.26 -0.04 0.00 0.35 0.00 0.00 39.48 37.53 2fj6 n PHE 33 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2fj6 n PRO 34 N 1.43 1.29 0.21 -7.13 -0.04 -1.26 -4.63 135.00 124.86 2fj6 n PRO 34 Ca 0.13 -1.36 0.18 0.00 -0.04 0.00 0.00 63.50 62.42 2fj6 n PRO 34 Cb 0.27 -2.53 0.84 0.00 -0.04 0.00 0.00 33.50 32.04 2fj6 n PRO 34 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2fj6 h LYS 35 N 7.55 0.00 -1.08 0.54 2.10 -2.02 -0.05 116.57 123.61 2fj6 h LYS 35 Ca 0.36 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.55 2fj6 h LYS 35 Cb 0.36 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 31.45 2fj6 h LYS 35 CO 1.60 0.00 0.59 0.25 -2.00 0.00 0.00 179.45 179.89 2fj6 n THR 36 N -3.59 2.96 0.00 0.07 -2.24 -1.26 -4.82 114.28 105.39 2fj6 n THR 36 Ca 0.02 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 2fj6 n THR 36 Cb 0.38 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 2fj6 n THR 36 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2fj6 n SER 37 N -0.64 0.00 -3.58 3.42 2.88 -0.03 -5.14 113.62 110.52 2fj6 n SER 37 Ca 0.48 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.76 2fj6 n SER 37 Cb 1.11 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.41 2fj6 n SER 37 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2fj6 s THR 38 N -2.00 -0.11 -0.08 2.46 -1.32 -1.26 -4.68 115.64 108.64 2fj6 s THR 38 Ca 0.00 -0.29 -0.03 0.00 -1.21 0.00 0.00 61.69 60.16 2fj6 s THR 38 Cb 0.00 -0.67 0.05 0.00 -1.51 0.00 0.00 72.50 70.36 2fj6 s THR 38 CO 0.00 -0.37 0.16 -0.62 -2.21 0.00 0.00 174.62 171.58 2fj6 s ASP 39 N 2.15 0.54 0.13 8.08 -1.08 -1.26 -5.06 116.67 120.18 2fj6 s ASP 39 Ca 0.04 0.34 -0.25 0.00 -0.52 0.00 0.00 52.55 52.16 2fj6 s ASP 39 Cb -0.16 0.28 -0.02 0.00 -1.46 0.00 0.00 42.92 41.56 2fj6 s ASP 39 CO -0.15 -0.22 1.63 0.22 0.52 0.00 0.00 175.17 177.16 2fj6 h TYR 40 N 8.12 -0.74 0.06 -5.34 3.20 -1.99 0.15 116.97 120.43 2fj6 h TYR 40 Ca -0.20 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 2fj6 h TYR 40 Cb 1.12 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.73 2fj6 h TYR 40 CO 0.42 -0.36 -0.03 0.45 -1.64 0.00 0.00 178.16 177.01 2fj6 h HIS 41 N -0.36 -0.07 0.07 -3.82 -0.00 -1.97 0.39 115.15 109.39 2fj6 h HIS 41 Ca 0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2fj6 h HIS 41 Cb 0.49 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.92 2fj6 h HIS 41 CO -0.35 0.03 -0.07 1.49 -0.00 0.00 0.00 177.93 179.03 2fj6 h GLU 42 N -0.15 -0.16 -0.42 2.45 4.57 -1.94 -0.99 114.58 117.94 2fj6 h GLU 42 Ca -0.01 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 2fj6 h GLU 42 Cb 0.13 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2fj6 h GLU 42 CO 0.01 -0.11 -0.17 0.82 -1.18 0.00 0.00 179.01 178.39 2fj6 h ILE 43 N -0.16 1.28 -0.85 2.32 2.04 -0.70 -2.48 117.51 118.96 2fj6 h ILE 43 Ca 0.00 -1.31 0.12 0.00 1.00 0.00 0.00 64.86 64.67 2fj6 h ILE 43 Cb 0.16 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.38 2fj6 h ILE 43 CO -0.02 0.44 0.47 0.28 0.00 0.00 0.00 178.15 179.32 2fj6 h SER 44 N 0.69 0.64 -0.46 1.72 0.02 -0.03 -0.25 113.55 115.88 2fj6 h SER 44 Ca 0.10 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2fj6 h SER 44 Cb 0.73 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2fj6 h SER 44 CO 0.06 0.33 0.14 -1.28 -1.14 0.00 0.00 176.83 174.94 2fj6 h SER 45 N 0.74 0.67 -0.41 3.07 0.87 -0.99 0.15 113.55 117.66 2fj6 h SER 45 Ca 0.43 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2fj6 h SER 45 Cb 0.49 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2fj6 h SER 45 CO -0.29 0.70 0.25 0.22 -0.53 0.00 0.00 176.83 177.18 2fj6 h TYR 46 N 0.61 0.47 -0.51 2.24 3.20 -0.74 0.58 116.97 122.82 2fj6 h TYR 46 Ca 0.15 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 2fj6 h TYR 46 Cb 0.27 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2fj6 h TYR 46 CO 0.01 0.28 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.72 2fj6 h LEU 47 N 0.51 0.91 -0.32 2.82 3.38 -0.92 0.17 115.31 121.85 2fj6 h LEU 47 Ca 0.16 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2fj6 h LEU 47 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2fj6 h LEU 47 CO -0.06 1.01 0.10 -0.33 0.09 0.00 0.00 178.44 179.25 2fj6 h GLU 48 N 0.78 0.50 -0.44 1.13 4.39 -0.20 -2.77 114.58 117.98 2fj6 h GLU 48 Ca 0.14 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 2fj6 h GLU 48 Cb 0.56 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2fj6 h GLU 48 CO 0.03 0.54 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.31 2fj6 h LEU 49 N 0.37 0.72 -9.33 1.33 3.38 0.26 -3.42 115.31 108.61 2fj6 h LEU 49 Ca 0.11 -0.18 -0.54 0.00 0.09 0.00 0.00 57.88 57.35 2fj6 h LEU 49 Cb 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2fj6 h LEU 49 CO -0.00 0.81 0.99 0.21 0.09 0.00 0.00 178.44 180.54 2fj6 s ASN 50 N -6.68 6.71 0.36 -0.43 3.84 0.04 -4.89 114.94 113.89 2fj6 s ASN 50 Ca -0.09 2.24 0.11 0.00 0.21 0.00 0.00 52.86 55.33 2fj6 s ASN 50 Cb 0.14 -2.55 0.67 0.00 -0.55 0.00 0.00 41.25 38.97 2fj6 s ASN 50 CO 0.81 -0.86 1.81 0.00 -2.79 0.00 0.00 177.10 176.07 2fj6 h ALA 51 N 8.74 1.35 -0.42 1.71 0.00 -1.81 0.22 119.26 129.04 2fj6 h ALA 51 Ca -0.39 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 2fj6 h ALA 51 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2fj6 h ALA 51 CO 0.94 0.47 0.01 -0.44 0.00 0.00 0.00 179.25 180.23 2fj6 h ASP 52 N 0.08 0.71 0.35 0.00 3.32 -1.90 -3.03 116.42 115.95 2fj6 h ASP 52 Ca 0.01 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2fj6 h ASP 52 Cb 0.65 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2fj6 h ASP 52 CO 0.05 0.83 -0.53 -1.22 -1.72 0.00 0.00 179.24 176.65 2fj6 n TYR 53 N -4.44 0.00 -0.01 4.55 4.02 -1.14 -4.06 117.16 116.08 2fj6 n TYR 53 Ca -0.01 0.00 0.22 0.00 -0.01 0.00 0.00 57.90 58.10 2fj6 n TYR 53 Cb 0.28 -0.18 0.71 0.00 -0.02 0.00 0.00 39.34 40.14 2fj6 n TYR 53 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2fj6 h LEU 54 N 0.32 0.00 -3.94 7.72 5.85 -0.43 -0.09 115.31 124.74 2fj6 h LEU 54 Ca 0.00 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 2fj6 h LEU 54 Cb 0.51 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 41.26 2fj6 h LEU 54 CO 0.00 0.00 0.77 1.57 -0.34 0.00 0.00 178.44 180.44 2fj6 n HIS 55 N -4.23 3.03 -2.04 1.25 -0.00 -1.26 -4.14 115.22 107.84 2fj6 n HIS 55 Ca 0.11 -2.54 0.00 0.00 0.46 0.00 0.00 57.72 55.75 2fj6 n HIS 55 Cb 0.66 -1.24 -0.00 0.00 -0.12 0.00 0.00 29.99 29.29 2fj6 n HIS 55 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 2fj6 n THR 56 N -0.90 0.00 -0.08 3.57 -2.24 -0.05 -4.87 114.28 109.71 2fj6 n THR 56 Ca 0.59 -0.09 0.10 0.00 -2.27 0.00 0.00 64.05 62.38 2fj6 n THR 56 Cb 0.99 0.41 0.47 0.00 -2.10 0.00 0.00 70.33 70.11 2fj6 n THR 56 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2fj6 h MET 57 N 0.09 0.47 -0.29 -0.78 2.86 -1.72 0.24 114.93 115.79 2fj6 h MET 57 Ca -0.04 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2fj6 h MET 57 Cb 1.34 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 2fj6 h MET 57 CO -0.00 0.31 0.09 0.00 1.06 0.00 0.00 176.91 178.36 2fj6 h ALA 58 N 1.70 0.38 -0.19 6.32 0.00 -1.93 0.33 119.26 125.87 2fj6 h ALA 58 Ca 0.25 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2fj6 h ALA 58 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2fj6 h ALA 58 CO -0.07 0.03 -0.69 1.15 0.00 0.00 0.00 179.25 179.67 2fj6 h THR 59 N 0.31 1.29 0.01 0.00 2.02 -1.65 -2.62 112.91 112.26 2fj6 h THR 59 Ca 0.09 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 2fj6 h THR 59 Cb 0.26 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2fj6 h THR 59 CO -0.00 0.60 -0.01 0.15 0.37 0.00 0.00 175.52 176.64 2fj6 h PHE 60 N 0.56 -0.01 -0.50 3.16 3.57 -0.51 0.37 116.94 123.57 2fj6 h PHE 60 Ca -0.03 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.55 2fj6 h PHE 60 Cb 1.30 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.98 2fj6 h PHE 60 CO 0.08 0.19 0.15 -0.44 -2.23 0.00 0.00 178.31 176.06 2fj6 h ASP 61 N -0.22 0.11 -0.36 0.41 3.32 -0.98 0.27 116.42 118.97 2fj6 h ASP 61 Ca -0.00 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2fj6 h ASP 61 Cb 0.21 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2fj6 h ASP 61 CO 0.00 0.09 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.52 2fj6 h GLU 62 N 0.30 0.64 -0.20 3.56 4.57 -1.32 -2.10 114.58 120.03 2fj6 h GLU 62 Ca 0.25 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2fj6 h GLU 62 Cb 0.29 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2fj6 h GLU 62 CO -0.28 0.75 0.13 0.00 -1.18 0.00 0.00 179.01 178.44 2fj6 h ALA 63 N 0.86 0.26 -0.58 2.92 0.00 0.46 -2.30 119.26 120.88 2fj6 h ALA 63 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2fj6 h ALA 63 Cb 0.47 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2fj6 h ALA 63 CO 0.02 -0.25 0.27 2.35 0.00 0.00 0.00 179.25 181.64 2fj6 h TRP 64 N 0.26 0.49 -0.92 0.00 2.91 -0.44 0.13 115.95 118.38 2fj6 h TRP 64 Ca 0.07 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.27 2fj6 h TRP 64 Cb -0.01 -0.14 -0.10 0.00 -0.51 0.00 0.00 29.16 28.41 2fj6 h TRP 64 CO -0.06 0.21 0.53 0.22 -1.03 0.00 0.00 178.44 178.30 2fj6 h ASP 65 N 0.51 0.68 -0.13 2.65 3.58 -0.92 0.79 116.42 123.58 2fj6 h ASP 65 Ca 0.27 0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.71 2fj6 h ASP 65 Cb 0.23 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2fj6 h ASP 65 CO -0.21 0.29 -0.30 1.56 -2.88 0.00 0.00 179.24 177.70 2fj6 h GLN 66 N 0.73 0.43 0.03 0.28 4.20 -0.64 -2.49 115.11 117.66 2fj6 h GLN 66 Ca 0.51 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.95 2fj6 h GLN 66 Cb 0.70 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 2fj6 h GLN 66 CO -0.35 0.90 -0.39 -0.92 -0.67 0.00 0.00 178.83 177.39 2fj6 h TYR 67 N 0.03 -1.11 -0.97 2.96 3.20 0.48 -1.38 116.97 120.18 2fj6 h TYR 67 Ca 0.00 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.01 2fj6 h TYR 67 Cb 0.90 0.48 -0.08 0.00 1.54 0.00 0.00 36.73 39.57 2fj6 h TYR 67 CO 0.10 -0.48 0.60 1.49 -1.64 0.00 0.00 178.16 178.23 2fj6 h GLU 68 N -0.57 0.96 -0.21 1.82 4.57 -0.96 -0.24 114.58 119.94 2fj6 h GLU 68 Ca 0.04 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2fj6 h GLU 68 Cb 0.64 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2fj6 h GLU 68 CO -0.28 0.64 0.15 0.66 -1.18 0.00 0.00 179.01 178.99 2fj6 h SER 69 N 0.99 0.03 0.77 1.04 4.64 -0.79 1.84 113.55 122.07 2fj6 h SER 69 Ca 0.46 -0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.54 2fj6 h SER 69 Cb 0.40 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2fj6 h SER 69 CO -0.24 0.02 -1.27 -0.33 -0.87 0.00 0.00 176.83 174.13 2fj6 h GLU 70 N 0.04 0.04 0.00 4.77 4.39 -0.39 -3.29 114.58 120.14 2fj6 h GLU 70 Ca 0.10 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2fj6 h GLU 70 Cb 0.35 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2fj6 h GLU 70 CO -0.01 0.88 -0.81 0.28 -1.16 0.00 0.00 179.01 178.20 2fj6 n VAL 71 N -3.28 0.26 0.64 3.13 0.31 -0.57 -3.78 118.33 115.03 2fj6 n VAL 71 Ca -0.07 -0.26 0.11 0.00 -0.01 0.00 0.00 64.34 64.11 2fj6 n VAL 71 Cb 0.99 0.03 0.45 0.00 -0.91 0.00 0.00 33.84 34.40 2fj6 n VAL 71 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2fj6 n HIS 72 N -2.03 0.33 0.82 3.52 -0.00 0.61 -2.59 115.22 115.88 2fj6 n HIS 72 Ca 0.03 0.11 0.11 0.00 -0.00 0.00 0.00 57.72 57.96 2fj6 n HIS 72 Cb 0.44 -0.68 0.49 0.00 -0.00 0.00 0.00 29.99 30.23 2fj6 n HIS 72 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fj6 n GLY 73 N 0.63 -1.19 3.76 1.57 0.00 -1.25 -4.76 105.19 103.95 2fj6 n GLY 73 Ca 0.05 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2fj6 n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fj6 s ARG 74 N -2.90 4.70 -0.23 1.61 0.52 -1.07 -4.94 118.95 116.64 2fj6 s ARG 74 Ca 0.13 1.32 0.02 0.00 -0.52 0.00 0.00 55.73 56.68 2fj6 s ARG 74 Cb 0.14 -3.29 0.33 0.00 0.52 0.00 0.00 34.95 32.65 2fj6 s ARG 74 CO 0.38 0.49 1.50 1.28 0.02 0.00 0.00 175.30 178.98 2fj6 n LEU 75 N 1.76 5.00 -2.81 2.53 7.99 -1.26 -4.08 117.00 126.13 2fj6 n LEU 75 Ca -0.03 -2.61 -0.11 0.00 -0.01 0.00 0.00 56.01 53.25 2fj6 n LEU 75 Cb 0.48 -0.70 0.06 0.00 -0.11 0.00 0.00 43.42 43.15 2fj6 n LEU 75 CO 0.48 0.81 0.18 -1.84 -1.51 0.00 0.00 177.39 175.51 2fj6 n GLU 76 N -0.28 1.07 0.00 3.23 0.28 -1.26 -5.03 120.64 118.65 2fj6 n GLU 76 Ca 0.30 -2.44 0.00 0.00 -0.16 0.00 0.00 57.16 54.86 2fj6 n GLU 76 Cb 1.06 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 32.96 2fj6 n GLU 76 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2fj6 n HIS 77 N 0.03 0.00 -2.90 -1.84 -0.00 -1.26 -4.79 115.22 104.46 2fj6 n HIS 77 Ca 0.08 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.08 2fj6 n HIS 77 Cb 0.75 -0.48 0.02 0.00 -0.12 0.00 0.00 29.99 30.16 2fj6 n HIS 77 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2fj6 s HIS 78 N -2.92 2.84 0.08 1.57 3.76 -1.26 -4.98 115.29 114.38 2fj6 s HIS 78 Ca 0.00 -0.26 0.33 0.00 -0.15 0.00 0.00 55.06 54.98 2fj6 s HIS 78 Cb 0.00 -2.50 1.54 0.00 1.11 0.00 0.00 32.58 32.73 2fj6 s HIS 78 CO 0.00 -0.56 1.98 1.12 -0.85 0.00 0.00 174.74 176.43 2fj6 h HIS 79 N 0.45 0.00 -2.47 1.40 2.07 -2.03 -3.44 115.15 111.13 2fj6 h HIS 79 Ca -0.41 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.54 2fj6 h HIS 79 Cb 1.28 0.00 0.06 0.00 2.57 0.00 0.00 27.41 31.33 2fj6 h HIS 79 CO 0.39 0.00 0.83 0.72 -3.07 0.00 0.00 177.93 176.80 2fj6 n HIS 80 N -2.79 2.41 -0.07 6.12 8.25 -1.26 -4.78 115.22 123.10 2fj6 n HIS 80 Ca -0.00 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 2fj6 n HIS 80 Cb 0.19 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 28.73 2fj6 n HIS 80 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fj6 n HIS 81 N 3.27 0.00 0.00 4.41 -0.00 -1.26 -4.95 115.22 116.69 2fj6 n HIS 81 Ca 0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.34 2fj6 n HIS 81 Cb 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 2fj6 n HIS 81 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38