#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fj6 n LYS 2 N 0.00 -2.97 -1.84 3.17 4.81 -1.26 -4.91 118.16 115.15 2fj6 n LYS 2 Ca 0.00 2.39 -0.41 0.00 -0.87 0.00 0.00 58.31 59.42 2fj6 n LYS 2 Cb 0.00 -3.27 -0.01 0.00 0.02 0.00 0.00 35.03 31.76 2fj6 n LYS 2 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2fj6 s SER 3 N -0.38 6.44 0.24 3.14 0.15 -1.26 -4.85 113.70 117.17 2fj6 s SER 3 Ca -0.09 2.90 -0.05 0.00 0.70 0.00 0.00 55.95 59.40 2fj6 s SER 3 Cb 0.01 -2.64 0.37 0.00 -1.71 0.00 0.00 66.02 62.05 2fj6 s SER 3 CO 0.25 -0.85 1.81 0.15 1.20 0.00 0.00 173.24 175.80 2fj6 h PHE 4 N 4.53 0.81 -0.70 3.44 3.04 -1.91 0.07 116.94 126.22 2fj6 h PHE 4 Ca -0.47 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.46 2fj6 h PHE 4 Cb 1.22 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.46 2fj6 h PHE 4 CO 0.58 0.34 0.28 -0.92 -2.02 0.00 0.00 178.31 176.57 2fj6 h TYR 5 N 0.76 1.06 -0.06 0.41 3.20 -1.90 0.52 116.97 120.96 2fj6 h TYR 5 Ca 0.38 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 2fj6 h TYR 5 Cb 0.34 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 2fj6 h TYR 5 CO -0.07 0.82 -0.00 0.45 -1.64 0.00 0.00 178.16 177.72 2fj6 h HIS 6 N 1.00 0.11 0.03 -3.82 3.86 -1.63 0.69 115.15 115.39 2fj6 h HIS 6 Ca 0.23 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 2fj6 h HIS 6 Cb 0.21 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 2fj6 h HIS 6 CO 0.01 0.38 -0.15 -0.92 0.86 0.00 0.00 177.93 178.12 2fj6 h TYR 7 N -0.19 -0.39 -0.10 2.45 3.20 -0.93 0.26 116.97 121.26 2fj6 h TYR 7 Ca 0.02 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2fj6 h TYR 7 Cb 0.34 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 2fj6 h TYR 7 CO 0.03 -0.23 0.11 1.25 -1.64 0.00 0.00 178.16 177.69 2fj6 h LEU 8 N -0.27 0.00 -2.52 2.82 5.85 -0.78 -0.43 115.31 119.98 2fj6 h LEU 8 Ca 0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2fj6 h LEU 8 Cb 0.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2fj6 h LEU 8 CO -0.12 0.00 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.91 2fj6 h LEU 9 N 0.00 0.00 -1.04 2.25 3.38 0.40 0.20 115.31 120.50 2fj6 h LEU 9 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2fj6 h LEU 9 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2fj6 h LEU 9 CO -0.00 0.00 0.00 0.50 0.09 0.00 0.00 178.44 179.03 2fj6 h LYS 10 N 0.00 0.00 -1.74 1.13 3.64 -0.96 -2.95 116.57 115.69 2fj6 h LYS 10 Ca -0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2fj6 h LYS 10 Cb 0.00 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 31.60 2fj6 h LYS 10 CO 0.00 0.00 0.74 0.66 -2.27 0.00 0.00 179.45 178.58 2fj6 n TYR 11 N -2.80 2.42 -0.97 1.91 4.02 0.70 -5.01 117.16 117.43 2fj6 n TYR 11 Ca 0.02 -2.30 -0.36 0.00 -0.01 0.00 0.00 57.90 55.25 2fj6 n TYR 11 Cb 0.31 -1.27 0.05 0.00 -0.02 0.00 0.00 39.34 38.41 2fj6 n TYR 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2fj6 n ARG 12 N -0.07 -0.05 0.19 -0.72 1.74 -1.12 -4.55 116.66 112.09 2fj6 n ARG 12 Ca 0.51 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.47 2fj6 n ARG 12 Cb 0.46 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.70 2fj6 n ARG 12 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 2fj6 h HIS 13 N -1.09 -0.50 -0.57 -1.55 -0.00 -1.89 -3.45 115.15 106.10 2fj6 h HIS 13 Ca -0.44 -0.01 -0.58 0.00 -0.00 0.00 0.00 60.37 59.34 2fj6 h HIS 13 Cb 1.30 0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.88 2fj6 h HIS 13 CO 0.23 -0.19 0.53 -2.30 -0.00 0.00 0.00 177.93 176.20 2fj6 n PRO 14 N -5.15 0.00 -2.62 5.12 -0.02 -1.26 -2.16 135.00 128.91 2fj6 n PRO 14 Ca -0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.30 2fj6 n PRO 14 Cb 0.27 -1.01 0.04 0.00 -0.02 0.00 0.00 33.50 32.79 2fj6 n PRO 14 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2fj6 n LYS 15 N 3.04 -2.09 -1.77 -0.52 4.81 -1.26 -5.02 118.16 115.35 2fj6 n LYS 15 Ca 0.23 0.51 -0.32 0.00 -0.87 0.00 0.00 58.31 57.86 2fj6 n LYS 15 Cb -0.04 -4.18 0.04 0.00 0.02 0.00 0.00 35.03 30.87 2fj6 n LYS 15 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2fj6 s PRO 16 N -4.11 2.95 0.26 1.64 0.04 -0.92 -4.97 135.00 129.89 2fj6 s PRO 16 Ca 0.19 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2fj6 s PRO 16 Cb -0.02 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2fj6 s PRO 16 CO 0.43 -1.11 0.00 1.63 0.04 0.00 0.00 177.00 177.99 2fj6 n LYS 17 N -2.53 0.00 -1.87 4.56 5.02 -1.26 -5.00 118.16 117.08 2fj6 n LYS 17 Ca 0.09 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.07 2fj6 n LYS 17 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.55 2fj6 n LYS 17 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2fj6 s ASP 18 N -3.28 6.20 0.24 4.39 -1.08 -1.26 -4.85 116.67 117.02 2fj6 s ASP 18 Ca 0.00 1.43 -0.05 0.00 -0.52 0.00 0.00 52.55 53.41 2fj6 s ASP 18 Cb 0.00 -2.47 0.40 0.00 -1.46 0.00 0.00 42.92 39.39 2fj6 s ASP 18 CO 0.00 -0.89 1.75 0.77 0.52 0.00 0.00 175.17 177.32 2fj6 h SER 19 N -0.32 0.35 -0.47 -0.34 4.64 -2.00 0.22 113.55 115.64 2fj6 h SER 19 Ca -0.44 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 2fj6 h SER 19 Cb 1.19 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2fj6 h SER 19 CO 0.62 0.17 0.25 -0.29 -0.87 0.00 0.00 176.83 176.71 2fj6 h ILE 20 N 0.51 1.17 -0.12 0.95 2.10 -1.94 -1.43 117.51 118.74 2fj6 h ILE 20 Ca 0.38 -0.45 -0.01 0.00 1.08 0.00 0.00 64.86 65.86 2fj6 h ILE 20 Cb 0.51 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 36.75 2fj6 h ILE 20 CO -0.34 0.19 0.03 -1.28 -1.08 0.00 0.00 178.15 175.67 2fj6 h SER 21 N 0.70 0.18 -0.87 2.19 0.87 -0.99 -2.03 113.55 113.59 2fj6 h SER 21 Ca 0.18 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2fj6 h SER 21 Cb 0.06 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 2fj6 h SER 21 CO -0.03 0.35 0.57 -0.33 -0.53 0.00 0.00 176.83 176.87 2fj6 h GLU 22 N 0.00 1.03 -0.69 2.24 5.08 -0.62 -1.00 114.58 120.62 2fj6 h GLU 22 Ca 0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2fj6 h GLU 22 Cb 0.24 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2fj6 h GLU 22 CO -0.00 0.68 0.44 0.35 -1.00 0.00 0.00 179.01 179.48 2fj6 h PHE 23 N 1.06 0.89 -0.62 4.33 3.04 -1.01 -2.31 116.94 122.32 2fj6 h PHE 23 Ca 0.35 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.39 2fj6 h PHE 23 Cb 0.07 -0.30 -0.06 0.00 2.56 0.00 0.00 35.95 38.22 2fj6 h PHE 23 CO -0.00 0.58 0.29 0.00 -2.02 0.00 0.00 178.31 177.15 2fj6 h ALA 24 N 1.24 0.83 -0.31 2.41 0.00 -0.46 0.29 119.26 123.25 2fj6 h ALA 24 Ca 0.25 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2fj6 h ALA 24 Cb -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2fj6 h ALA 24 CO -0.05 -0.09 0.05 -0.91 0.00 0.00 0.00 179.25 178.25 2fj6 h ASN 25 N 0.52 -0.00 -0.01 0.00 4.21 -1.01 0.14 115.58 119.43 2fj6 h ASN 25 Ca 0.30 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.86 2fj6 h ASN 25 Cb 0.29 0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.57 2fj6 h ASN 25 CO -0.24 0.03 0.00 -0.61 -1.29 0.00 0.00 177.43 175.32 2fj6 h GLN 26 N 0.16 0.01 -0.52 0.81 4.15 -1.08 -3.01 115.11 115.65 2fj6 h GLN 26 Ca 0.15 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.63 2fj6 h GLN 26 Cb 0.16 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2fj6 h GLN 26 CO -0.20 0.25 0.35 0.00 -1.93 0.00 0.00 178.83 177.30 2fj6 h ALA 27 N 0.76 1.94 0.00 3.38 0.00 -0.15 -0.82 119.26 124.36 2fj6 h ALA 27 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2fj6 h ALA 27 Cb 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2fj6 h ALA 27 CO 0.00 -0.03 -0.02 -0.92 0.00 0.00 0.00 179.25 178.28 2fj6 h TYR 28 N 0.43 0.00 -0.00 0.00 3.20 -0.59 0.32 116.97 120.33 2fj6 h TYR 28 Ca 0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2fj6 h TYR 28 Cb 0.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2fj6 h TYR 28 CO -0.00 0.02 -0.16 0.39 -1.64 0.00 0.00 178.16 176.77 2fj6 n GLU 29 N -4.15 0.46 -2.64 1.82 1.02 -0.32 -4.58 120.64 112.25 2fj6 n GLU 29 Ca -0.03 -0.16 -0.43 0.00 -0.02 0.00 0.00 57.16 56.52 2fj6 n GLU 29 Cb 0.10 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2fj6 n GLU 29 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2fj6 s ASP 30 N -2.65 6.82 0.01 1.62 2.15 0.10 -4.76 116.67 119.96 2fj6 s ASP 30 Ca 0.23 -2.39 0.05 0.00 0.43 0.00 0.00 52.55 50.88 2fj6 s ASP 30 Cb 0.19 -2.55 0.23 0.00 -0.30 0.00 0.00 42.92 40.50 2fj6 s ASP 30 CO 0.52 -1.15 1.17 0.00 -0.17 0.00 0.00 175.17 175.54 2fj6 n HIS 31 N 8.01 0.02 1.07 -5.34 1.44 -1.26 -0.70 115.22 118.45 2fj6 n HIS 31 Ca 0.44 0.01 0.12 0.00 -2.01 0.00 0.00 57.72 56.28 2fj6 n HIS 31 Cb 0.46 -0.51 0.11 0.00 0.12 0.00 0.00 29.99 30.17 2fj6 n HIS 31 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2fj6 n SER 32 N -1.52 1.68 -4.61 4.39 3.41 -1.26 -4.96 113.62 110.74 2fj6 n SER 32 Ca 0.01 -1.30 -0.48 0.00 -0.26 0.00 0.00 58.87 56.84 2fj6 n SER 32 Cb 0.06 0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 2fj6 n SER 32 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2fj6 n PHE 33 N -0.29 1.66 -0.78 7.33 -0.00 0.12 -4.79 117.46 120.72 2fj6 n PHE 33 Ca 0.10 0.56 -0.18 0.00 -0.00 0.00 0.00 57.45 57.93 2fj6 n PHE 33 Cb 0.43 -2.37 -0.06 0.00 -0.00 0.00 0.00 39.48 37.48 2fj6 n PHE 33 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 2fj6 n PRO 34 N 2.24 1.97 0.20 -7.13 -0.04 -1.26 -4.57 135.00 126.41 2fj6 n PRO 34 Ca 0.15 -1.22 0.18 0.00 -0.04 0.00 0.00 63.50 62.58 2fj6 n PRO 34 Cb 0.25 -2.23 0.83 0.00 -0.04 0.00 0.00 33.50 32.31 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 5.17 0.00 -1.02 0.54 2.10 -1.95 0.63 116.57 122.05 2fj6 h LYS 35 Ca 0.39 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.52 2fj6 h LYS 35 Cb 0.53 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 31.58 2fj6 h LYS 35 CO 1.02 0.00 0.66 -2.37 -2.00 0.00 0.00 179.45 176.76 2fj6 n THR 36 N -3.67 3.16 0.00 0.07 5.66 -1.26 -4.71 114.28 113.53 2fj6 n THR 36 Ca 0.02 -2.01 0.00 0.00 -3.05 0.00 0.00 64.05 59.02 2fj6 n THR 36 Cb 0.38 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 2fj6 n THR 36 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2fj6 n SER 37 N -0.96 0.00 -4.34 1.09 2.88 0.21 -5.13 113.62 107.38 2fj6 n SER 37 Ca 0.56 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.70 2fj6 n SER 37 Cb 1.37 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.72 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 0.00 4.46 -0.08 2.46 -1.32 -1.26 -4.73 115.64 115.17 2fj6 s THR 38 Ca 0.00 -1.05 -0.03 0.00 -1.21 0.00 0.00 61.69 59.40 2fj6 s THR 38 Cb 0.00 -3.57 0.05 0.00 -1.51 0.00 0.00 72.50 67.47 2fj6 s THR 38 CO 0.00 -0.33 0.18 -0.62 -2.21 0.00 0.00 174.62 171.63 2fj6 s ASP 39 N 1.76 0.22 0.17 8.08 2.15 -1.26 -5.02 116.67 122.76 2fj6 s ASP 39 Ca 0.02 0.37 -0.19 0.00 0.43 0.00 0.00 52.55 53.18 2fj6 s ASP 39 Cb -0.21 0.30 0.09 0.00 -0.30 0.00 0.00 42.92 42.80 2fj6 s ASP 39 CO 0.05 -0.19 1.64 0.22 -0.17 0.00 0.00 175.17 176.72 2fj6 h TYR 40 N 7.73 -0.45 0.11 -5.34 3.20 -1.98 0.43 116.97 120.69 2fj6 h TYR 40 Ca -0.30 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 2fj6 h TYR 40 Cb 1.13 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.66 2fj6 h TYR 40 CO 0.41 -0.26 -0.05 0.45 -1.64 0.00 0.00 178.16 177.07 2fj6 h HIS 41 N -0.11 -0.14 0.19 -3.82 3.86 -1.98 0.60 115.15 113.74 2fj6 h HIS 41 Ca 0.19 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2fj6 h HIS 41 Cb 0.40 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2fj6 h HIS 41 CO -0.41 -0.03 -0.09 1.49 0.86 0.00 0.00 177.93 179.75 2fj6 h GLU 42 N -0.22 -0.24 -0.44 2.45 4.81 -1.92 -2.29 114.58 116.72 2fj6 h GLU 42 Ca -0.02 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 2fj6 h GLU 42 Cb 0.18 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2fj6 h GLU 42 CO 0.03 -0.16 -0.27 0.82 -0.73 0.00 0.00 179.01 178.70 2fj6 h ILE 43 N -0.26 1.27 -0.35 2.32 2.04 -0.92 -2.61 117.51 118.99 2fj6 h ILE 43 Ca -0.03 -1.43 0.07 0.00 1.00 0.00 0.00 64.86 64.48 2fj6 h ILE 43 Cb 0.20 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 2fj6 h ILE 43 CO 0.04 0.49 -0.14 -1.28 0.00 0.00 0.00 178.15 177.26 2fj6 h SER 44 N 0.80 -0.49 -0.79 1.72 0.87 0.31 0.74 113.55 116.71 2fj6 h SER 44 Ca 0.09 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 2fj6 h SER 44 Cb 0.85 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 2fj6 h SER 44 CO 0.08 -0.18 0.30 -1.28 -0.53 0.00 0.00 176.83 175.22 2fj6 h SER 45 N -0.08 1.10 -0.46 6.23 0.87 -1.39 0.20 113.55 120.02 2fj6 h SER 45 Ca 0.18 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2fj6 h SER 45 Cb 0.34 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2fj6 h SER 45 CO -0.40 0.98 0.30 0.22 -0.53 0.00 0.00 176.83 177.40 2fj6 h TYR 46 N 1.16 0.57 -0.10 2.24 3.20 -0.84 0.35 116.97 123.54 2fj6 h TYR 46 Ca 0.26 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.96 2fj6 h TYR 46 Cb 0.23 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2fj6 h TYR 46 CO 0.02 0.35 -0.72 -0.07 -1.64 0.00 0.00 178.16 176.10 2fj6 h LEU 47 N 0.61 0.58 -0.09 2.82 3.38 -0.67 -1.45 115.31 120.50 2fj6 h LEU 47 Ca 0.17 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2fj6 h LEU 47 Cb -0.06 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2fj6 h LEU 47 CO -0.04 1.12 0.03 -0.33 0.09 0.00 0.00 178.44 179.31 2fj6 h GLU 48 N 0.34 0.14 -0.43 1.13 5.08 -0.19 -2.90 114.58 117.75 2fj6 h GLU 48 Ca -0.03 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2fj6 h GLU 48 Cb 1.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2fj6 h GLU 48 CO 0.13 0.29 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.29 2fj6 h LEU 49 N -0.04 0.71 -9.02 1.33 3.38 -0.35 -3.42 115.31 107.91 2fj6 h LEU 49 Ca 0.03 -0.19 -0.57 0.00 0.09 0.00 0.00 57.88 57.24 2fj6 h LEU 49 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2fj6 h LEU 49 CO -0.00 0.82 1.22 0.21 0.09 0.00 0.00 178.44 180.77 2fj6 s ASN 50 N -6.69 6.15 0.32 -0.43 3.04 -0.55 -4.86 114.94 111.92 2fj6 s ASN 50 Ca -0.09 1.67 0.08 0.00 0.04 0.00 0.00 52.86 54.56 2fj6 s ASN 50 Cb 0.14 -2.53 0.54 0.00 -1.54 0.00 0.00 41.25 37.87 2fj6 s ASN 50 CO 0.81 -1.44 1.75 0.00 -3.04 0.00 0.00 177.10 175.18 2fj6 h ALA 51 N 11.78 1.21 -0.26 1.71 0.00 -1.81 0.16 119.26 132.04 2fj6 h ALA 51 Ca -0.36 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 2fj6 h ALA 51 Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2fj6 h ALA 51 CO 1.00 0.54 -0.13 -0.44 0.00 0.00 0.00 179.25 180.23 2fj6 h ASP 52 N 0.16 0.43 0.54 0.00 3.32 -1.91 -2.86 116.42 116.10 2fj6 h ASP 52 Ca 0.02 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2fj6 h ASP 52 Cb 0.74 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 2fj6 h ASP 52 CO 0.06 0.59 -1.47 -1.22 -1.72 0.00 0.00 179.24 175.47 2fj6 n TYR 53 N -4.21 0.55 -0.29 4.55 4.02 -1.08 -4.17 117.16 116.53 2fj6 n TYR 53 Ca 0.00 0.16 0.08 0.00 -0.01 0.00 0.00 57.90 58.14 2fj6 n TYR 53 Cb 0.31 -0.78 0.31 0.00 -0.02 0.00 0.00 39.34 39.16 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 0.00 0.79 0.00 7.72 5.85 -0.44 0.15 115.31 129.38 2fj6 h LEU 54 Ca -0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2fj6 h LEU 54 Cb 1.06 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2fj6 h LEU 54 CO 0.00 0.44 0.00 1.41 -0.34 0.00 0.00 178.44 179.96 2fj6 n HIS 55 N -4.55 0.00 -2.52 1.25 8.25 -1.21 -2.51 115.22 113.92 2fj6 n HIS 55 Ca 0.16 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.63 2fj6 n HIS 55 Cb 0.35 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.48 2fj6 n HIS 55 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2fj6 n THR 56 N -0.92 0.32 -0.01 1.59 5.66 0.50 -4.89 114.28 116.53 2fj6 n THR 56 Ca 0.09 -1.33 0.02 0.00 -3.05 0.00 0.00 64.05 59.77 2fj6 n THR 56 Cb 0.04 1.00 0.35 0.00 -1.55 0.00 0.00 70.33 70.17 2fj6 n THR 56 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 2fj6 h MET 57 N 1.25 0.55 -0.46 1.09 2.07 -1.17 -1.82 114.93 116.45 2fj6 h MET 57 Ca -0.27 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.28 2fj6 h MET 57 Cb 1.63 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 31.23 2fj6 h MET 57 CO 0.04 0.48 0.29 0.00 1.07 0.00 0.00 176.91 178.79 2fj6 h ALA 58 N 1.60 1.66 -0.22 6.32 0.00 -1.90 -0.80 119.26 125.92 2fj6 h ALA 58 Ca 0.13 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2fj6 h ALA 58 Cb 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2fj6 h ALA 58 CO -0.01 0.31 -0.62 1.15 0.00 0.00 0.00 179.25 180.08 2fj6 h THR 59 N 0.62 1.29 -0.03 0.00 2.02 -1.73 -2.67 112.91 112.42 2fj6 h THR 59 Ca 0.17 -1.84 -0.00 0.00 0.77 0.00 0.00 66.41 65.51 2fj6 h THR 59 Cb -0.06 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2fj6 h THR 59 CO -0.03 0.59 0.01 0.15 0.37 0.00 0.00 175.52 176.60 2fj6 h PHE 60 N 0.55 0.04 -0.66 3.16 3.57 -1.08 0.17 116.94 122.69 2fj6 h PHE 60 Ca -0.01 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2fj6 h PHE 60 Cb 1.22 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.85 2fj6 h PHE 60 CO 0.07 0.20 0.19 0.22 -2.23 0.00 0.00 178.31 176.76 2fj6 h ASP 61 N -0.12 0.11 -0.57 0.41 3.58 -1.18 0.41 116.42 119.05 2fj6 h ASP 61 Ca 0.01 0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 2fj6 h ASP 61 Cb 0.17 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2fj6 h ASP 61 CO -0.00 0.05 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.30 2fj6 h GLU 62 N 0.33 1.03 -0.24 0.28 4.81 -1.21 -2.15 114.58 117.44 2fj6 h GLU 62 Ca 0.35 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2fj6 h GLU 62 Cb 0.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2fj6 h GLU 62 CO -0.40 1.03 0.12 0.00 -0.73 0.00 0.00 179.01 179.03 2fj6 h ALA 63 N 1.01 0.31 -0.45 2.92 0.00 0.16 -2.28 119.26 120.94 2fj6 h ALA 63 Ca 0.16 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2fj6 h ALA 63 Cb 0.58 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2fj6 h ALA 63 CO 0.03 -0.14 0.15 2.35 0.00 0.00 0.00 179.25 181.64 2fj6 h TRP 64 N 0.27 0.26 -0.99 0.00 2.91 -0.17 0.15 115.95 118.39 2fj6 h TRP 64 Ca 0.08 0.02 0.17 0.00 1.13 0.00 0.00 58.89 60.30 2fj6 h TRP 64 Cb 0.10 -0.05 -0.09 0.00 -0.51 0.00 0.00 29.16 28.60 2fj6 h TRP 64 CO -0.03 0.09 0.61 0.22 -1.03 0.00 0.00 178.44 178.30 2fj6 h ASP 65 N 0.31 0.77 -0.11 2.65 3.58 -1.07 0.11 116.42 122.66 2fj6 h ASP 65 Ca 0.21 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.69 2fj6 h ASP 65 Cb 0.22 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2fj6 h ASP 65 CO -0.22 0.33 -0.12 -0.61 -2.88 0.00 0.00 179.24 175.74 2fj6 h GLN 66 N 0.78 0.28 -0.13 0.28 5.75 -0.49 -1.99 115.11 119.59 2fj6 h GLN 66 Ca 0.54 -0.15 0.05 0.00 -0.15 0.00 0.00 58.65 58.94 2fj6 h GLN 66 Cb 0.81 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.30 2fj6 h GLN 66 CO -0.31 0.69 -0.31 -0.92 -2.65 0.00 0.00 178.83 175.32 2fj6 h TYR 67 N -0.12 -0.86 -0.20 3.99 3.20 0.10 -1.74 116.97 121.33 2fj6 h TYR 67 Ca 0.02 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2fj6 h TYR 67 Cb 0.64 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 2fj6 h TYR 67 CO 0.09 -0.39 -0.07 0.93 -1.64 0.00 0.00 178.16 177.07 2fj6 h GLU 68 N -0.39 -0.03 -0.70 1.82 5.08 -0.90 -0.52 114.58 118.93 2fj6 h GLU 68 Ca 0.10 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.66 2fj6 h GLU 68 Cb 0.54 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2fj6 h GLU 68 CO -0.35 -0.02 0.62 0.77 -1.00 0.00 0.00 179.01 179.03 2fj6 h SER 69 N -0.03 0.00 0.00 1.42 0.02 -0.63 2.19 113.55 116.51 2fj6 h SER 69 Ca 0.10 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2fj6 h SER 69 Cb 0.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2fj6 h SER 69 CO -0.23 0.00 -0.22 -0.33 -1.14 0.00 0.00 176.83 174.91 2fj6 h GLU 70 N 0.00 0.00 0.00 3.45 4.39 -0.28 -3.38 114.58 118.76 2fj6 h GLU 70 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2fj6 h GLU 70 Cb 1.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 2fj6 h GLU 70 CO -0.00 0.55 -0.62 0.28 -1.16 0.00 0.00 179.01 178.06 2fj6 h VAL 71 N -1.00 0.00 0.00 3.13 2.07 -0.65 -3.29 116.25 116.50 2fj6 h VAL 71 Ca -0.05 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2fj6 h VAL 71 Cb 0.65 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2fj6 h VAL 71 CO -0.03 0.00 0.00 1.57 0.02 0.00 0.00 177.57 179.13 2fj6 n HIS 72 N -2.36 0.00 0.32 1.57 -0.00 0.73 -2.59 115.22 112.89 2fj6 n HIS 72 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.87 2fj6 n HIS 72 Cb 0.48 -0.09 0.14 0.00 -0.00 0.00 0.00 29.99 30.51 2fj6 n HIS 72 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2fj6 h GLY 73 N 4.21 0.00 0.00 1.57 0.00 -1.73 -3.45 103.07 103.67 2fj6 h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fj6 h GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 2fj6 n ARG 74 N -2.61 0.12 -2.69 4.80 1.74 -1.07 -4.79 116.66 112.16 2fj6 n ARG 74 Ca 0.03 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.91 2fj6 n ARG 74 Cb 0.50 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.96 2fj6 n ARG 74 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2fj6 n LEU 75 N 0.00 -2.27 -0.86 0.55 7.99 -1.26 -4.83 117.00 116.32 2fj6 n LEU 75 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 2fj6 n LEU 75 Cb 0.00 -2.70 0.00 0.00 -0.11 0.00 0.00 43.42 40.61 2fj6 n LEU 75 CO 0.00 0.04 0.28 -0.62 -1.51 0.00 0.00 177.39 175.58 2fj6 n GLU 76 N -3.30 0.65 -3.96 3.23 1.02 -1.26 -4.72 120.64 112.30 2fj6 n GLU 76 Ca -0.15 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.90 2fj6 n GLU 76 Cb 0.63 -1.22 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 2fj6 n GLU 76 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2fj6 s HIS 77 N -0.02 0.29 -0.30 -0.32 -3.43 -1.26 -5.15 115.29 105.10 2fj6 s HIS 77 Ca 0.00 -0.71 -0.07 0.00 -0.80 0.00 0.00 55.06 53.48 2fj6 s HIS 77 Cb 0.00 -0.20 0.16 0.00 -1.43 0.00 0.00 32.58 31.11 2fj6 s HIS 77 CO 0.00 -0.42 0.67 -1.58 -2.00 0.00 0.00 174.74 171.40 2fj6 s HIS 78 N -3.40 -1.38 0.52 0.38 2.46 -1.26 -5.16 115.29 107.44 2fj6 s HIS 78 Ca 0.02 1.94 -0.15 0.00 0.47 0.00 0.00 55.06 57.34 2fj6 s HIS 78 Cb 0.04 0.66 -0.07 0.00 -0.13 0.00 0.00 32.58 33.08 2fj6 s HIS 78 CO -0.08 -0.72 0.98 -1.01 -2.47 0.00 0.00 174.74 171.43 2fj6 s HIS 79 N 2.86 3.48 -0.10 3.88 3.76 -1.26 -4.73 115.29 123.18 2fj6 s HIS 79 Ca 0.06 1.41 -0.07 0.00 -0.15 0.00 0.00 55.06 56.30 2fj6 s HIS 79 Cb -0.13 -2.76 0.03 0.00 1.11 0.00 0.00 32.58 30.83 2fj6 s HIS 79 CO -0.19 -0.40 0.14 0.72 -0.85 0.00 0.00 174.74 174.16 2fj6 n HIS 80 N -1.74 -4.18 -1.64 1.40 8.25 -1.26 -5.02 115.22 111.03 2fj6 n HIS 80 Ca 0.06 2.45 -0.27 0.00 -0.26 0.00 0.00 57.72 59.71 2fj6 n HIS 80 Cb 0.54 -3.68 0.20 0.00 1.12 0.00 0.00 29.99 28.16 2fj6 n HIS 80 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2fj6 n HIS 81 N 1.58 -3.96 0.97 4.41 -0.00 -1.26 -5.30 115.22 111.66 2fj6 n HIS 81 Ca -0.24 -1.03 0.08 0.00 -0.00 0.00 0.00 57.72 56.52 2fj6 n HIS 81 Cb 0.38 -0.96 0.46 0.00 -0.00 0.00 0.00 29.99 29.86 2fj6 n HIS 81 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06