#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifk n LEU 4 N 0.00 0.00 0.00 1.08 7.94 -1.26 -5.07 117.00 119.69 3ifk n LEU 4 Ca 0.00 0.91 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 3ifk n LEU 4 Cb 0.00 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 43.54 3ifk n LEU 4 CO 0.00 -0.41 0.00 0.41 -1.11 0.00 0.00 177.39 176.28 3ifk n THR 5 N -1.74 0.00 0.00 1.96 -1.04 -1.26 -4.70 114.28 107.50 3ifk n THR 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3ifk n THR 5 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3ifk n THR 5 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3ifk n GLU 6 N 0.00 0.00 -0.06 -2.82 4.07 -1.26 -4.82 120.64 115.75 3ifk n GLU 6 Ca 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.96 3ifk n GLU 6 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 3ifk n GLU 6 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3ifk h GLU 7 N 0.00 0.50 -0.49 5.31 4.81 -1.97 0.11 114.58 122.85 3ifk h GLU 7 Ca 0.00 -0.30 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3ifk h GLU 7 Cb 0.00 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 3ifk h GLU 7 CO 0.00 0.90 0.18 1.96 -0.73 0.00 0.00 179.01 181.32 3ifk h GLN 8 N 0.15 0.35 -0.35 1.92 4.20 -1.87 1.11 115.11 120.62 3ifk h GLN 8 Ca 0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3ifk h GLN 8 Cb 0.85 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3ifk h GLN 8 CO 0.06 0.23 0.11 0.82 -0.67 0.00 0.00 178.83 179.38 3ifk h ILE 9 N 0.36 1.21 -0.68 2.54 2.04 -1.84 1.29 117.51 122.43 3ifk h ILE 9 Ca 0.24 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.44 3ifk h ILE 9 Cb 0.24 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3ifk h ILE 9 CO -0.23 0.24 0.41 0.00 0.00 0.00 0.00 178.15 178.57 3ifk h ALA 10 N 0.95 0.90 -0.08 1.87 0.00 -0.04 0.21 119.26 123.07 3ifk h ALA 10 Ca 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ifk h ALA 10 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ifk h ALA 10 CO -0.00 0.15 -0.48 0.93 0.00 0.00 0.00 179.25 179.85 3ifk h GLU 11 N 0.79 0.19 -0.12 0.00 5.08 0.23 0.89 114.58 121.64 3ifk h GLU 11 Ca 0.28 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3ifk h GLU 11 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ifk h GLU 11 CO -0.13 0.63 -0.38 0.74 -1.00 0.00 0.00 179.01 178.87 3ifk h PHE 12 N 0.15 0.30 -0.09 4.33 0.05 0.25 -0.08 116.94 121.85 3ifk h PHE 12 Ca 0.01 -0.08 -0.23 0.00 3.82 0.00 0.00 57.97 61.49 3ifk h PHE 12 Cb 0.91 -0.07 0.01 0.00 2.00 0.00 0.00 35.95 38.80 3ifk h PHE 12 CO 0.01 0.61 -0.87 -0.22 -0.18 0.00 0.00 178.31 177.66 3ifk h LYS 13 N 0.22 0.71 -0.66 1.51 1.63 0.10 0.35 116.57 120.43 3ifk h LYS 13 Ca 0.02 -0.65 -0.04 0.00 -0.85 0.00 0.00 60.65 59.14 3ifk h LYS 13 Cb 0.78 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.53 3ifk h LYS 13 CO 0.06 1.25 0.26 1.49 -3.45 0.00 0.00 179.45 179.06 3ifk h GLU 14 N 0.46 0.99 -0.62 1.90 4.81 -0.66 -2.06 114.58 119.40 3ifk h GLU 14 Ca -0.08 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 3ifk h GLU 14 Cb 1.50 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 3ifk h GLU 14 CO 0.17 0.83 0.20 0.00 -0.73 0.00 0.00 179.01 179.48 3ifk h ALA 15 N 1.11 0.82 -0.64 2.92 0.00 -0.47 -2.49 119.26 120.51 3ifk h ALA 15 Ca 0.22 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3ifk h ALA 15 Cb 0.22 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 3ifk h ALA 15 CO -0.02 0.49 0.13 0.35 0.00 0.00 0.00 179.25 180.20 3ifk h PHE 16 N 0.89 0.20 0.00 0.00 3.04 0.01 -0.62 116.94 120.47 3ifk h PHE 16 Ca 0.20 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 3ifk h PHE 16 Cb 0.29 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 3ifk h PHE 16 CO 0.02 -0.05 -0.03 0.77 -2.02 0.00 0.00 178.31 176.99 3ifk h SER 17 N 0.25 0.00 0.25 0.41 0.02 -0.91 0.64 113.55 114.20 3ifk h SER 17 Ca 0.34 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.22 3ifk h SER 17 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3ifk h SER 17 CO -0.44 0.03 -0.29 -0.07 -1.14 0.00 0.00 176.83 174.93 3ifk h LEU 18 N 0.00 0.07 0.07 5.07 4.07 -1.00 -3.15 115.31 120.44 3ifk h LEU 18 Ca -0.00 -0.02 -0.37 0.00 0.08 0.00 0.00 57.88 57.57 3ifk h LEU 18 Cb 0.11 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 3ifk h LEU 18 CO 0.00 0.36 -2.16 0.49 -1.08 0.00 0.00 178.44 176.06 3ifk n PHE 19 N -4.17 0.77 -2.04 1.13 3.72 0.10 -4.49 117.46 112.48 3ifk n PHE 19 Ca -0.02 0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 3ifk n PHE 19 Cb 0.35 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.79 3ifk n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3ifk n ASP 20 N -3.46 4.40 -0.06 4.37 4.64 0.18 -4.60 116.55 122.03 3ifk n ASP 20 Ca -0.38 -2.94 -0.06 0.00 -1.38 0.00 0.00 54.79 50.04 3ifk n ASP 20 Cb 1.01 -1.60 0.14 0.00 -1.04 0.00 0.00 41.12 39.62 3ifk n ASP 20 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3ifk h LYS 21 N 6.08 0.68 0.00 -0.67 1.79 -1.78 -0.44 116.57 122.22 3ifk h LYS 21 Ca 0.49 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3ifk h LYS 21 Cb 0.66 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3ifk h LYS 21 CO 1.75 0.83 0.00 -0.40 -1.08 0.00 0.00 179.45 180.54 3ifk n ASP 22 N -4.13 0.00 -1.76 0.86 5.75 -1.26 -4.87 116.55 111.13 3ifk n ASP 22 Ca 0.00 -1.11 -0.20 0.00 -0.01 0.00 0.00 54.79 53.47 3ifk n ASP 22 Cb 0.40 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 3ifk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ifk n GLY 23 N 0.54 1.42 0.00 6.12 0.00 -0.18 -4.84 105.19 108.26 3ifk n GLY 23 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.30 3ifk n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ifk n ASP 24 N -1.45 0.00 0.00 1.61 3.85 -1.26 -4.85 116.55 114.45 3ifk n ASP 24 Ca -0.21 -1.02 0.00 0.00 -0.71 0.00 0.00 54.79 52.85 3ifk n ASP 24 Cb 0.67 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.44 3ifk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ifk n GLY 25 N 0.92 0.75 3.11 6.12 0.00 -1.26 -5.02 105.19 109.81 3ifk n GLY 25 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 3ifk n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ifk s THR 26 N -2.56 0.83 -0.21 2.61 -4.23 -1.26 -3.48 115.64 107.35 3ifk s THR 26 Ca 0.00 -1.12 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 3ifk s THR 26 Cb 0.00 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 3ifk s THR 26 CO 0.00 -0.25 0.04 -0.63 -0.54 0.00 0.00 174.62 173.24 3ifk s ILE 27 N -1.21 4.34 0.66 2.99 1.01 0.38 -4.52 121.20 124.85 3ifk s ILE 27 Ca -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3ifk s ILE 27 Cb -0.09 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.47 3ifk s ILE 27 CO 0.01 0.41 0.94 0.42 0.00 0.00 0.00 174.94 176.73 3ifk s THR 28 N 0.93 2.38 0.29 2.92 -4.23 -1.26 -0.11 115.64 116.55 3ifk s THR 28 Ca 0.03 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 3ifk s THR 28 Cb -0.14 -2.94 0.19 0.00 1.34 0.00 0.00 72.50 70.95 3ifk s THR 28 CO 0.02 0.00 1.88 0.71 -0.54 0.00 0.00 174.62 176.69 3ifk h THR 29 N -0.40 1.21 -0.09 3.99 1.35 -1.90 0.80 112.91 117.88 3ifk h THR 29 Ca -0.43 -0.65 -0.00 0.00 -0.55 0.00 0.00 66.41 64.78 3ifk h THR 29 Cb 1.30 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3ifk h THR 29 CO 0.54 0.26 0.05 0.11 -0.25 0.00 0.00 175.52 176.23 3ifk h LYS 30 N 0.89 0.12 -0.61 4.72 1.57 -1.97 0.97 116.57 122.28 3ifk h LYS 30 Ca 0.21 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3ifk h LYS 30 Cb 0.14 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3ifk h LYS 30 CO -0.02 0.15 0.40 0.93 -0.57 0.00 0.00 179.45 180.34 3ifk h GLU 31 N 0.06 0.79 -0.37 3.15 5.08 -1.74 0.22 114.58 121.76 3ifk h GLU 31 Ca 0.03 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3ifk h GLU 31 Cb 0.06 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3ifk h GLU 31 CO -0.01 0.52 0.15 1.25 -1.00 0.00 0.00 179.01 179.92 3ifk h LEU 32 N 0.81 0.18 -0.44 1.33 5.85 -0.37 0.20 115.31 122.87 3ifk h LEU 32 Ca 0.23 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3ifk h LEU 32 Cb -0.08 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3ifk h LEU 32 CO -0.06 0.14 0.29 1.23 -0.34 0.00 0.00 178.44 179.70 3ifk h GLY 33 N 0.32 0.63 1.03 3.75 0.00 0.15 0.82 103.07 109.78 3ifk h GLY 33 Ca 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3ifk h GLY 33 CO -0.15 0.24 0.24 0.00 0.00 0.00 0.00 176.54 176.87 3ifk h THR 34 N 0.60 1.25 0.14 4.70 1.03 -0.07 0.78 112.91 121.34 3ifk h THR 34 Ca 0.16 -0.84 -0.01 0.00 -0.01 0.00 0.00 66.41 65.71 3ifk h THR 34 Cb -0.05 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 67.51 3ifk h THR 34 CO -0.03 0.33 -0.07 0.58 -0.01 0.00 0.00 175.52 176.32 3ifk h VAL 35 N 1.02 1.00 -0.66 0.00 2.07 -0.15 0.41 116.25 119.94 3ifk h VAL 35 Ca 0.23 -0.60 0.13 0.00 0.82 0.00 0.00 66.70 67.28 3ifk h VAL 35 Cb 0.26 1.37 -0.10 0.00 -1.52 0.00 0.00 31.29 31.31 3ifk h VAL 35 CO -0.01 0.14 0.14 0.24 0.02 0.00 0.00 177.57 178.10 3ifk h MET 36 N -0.47 0.24 -0.12 1.57 2.86 0.98 -1.25 114.93 118.75 3ifk h MET 36 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3ifk h MET 36 Cb 0.37 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3ifk h MET 36 CO 0.03 0.16 0.05 0.00 1.06 0.00 0.00 176.91 178.22 3ifk h ARG 37 N 0.25 0.17 -1.25 1.72 3.08 0.76 -1.03 114.38 118.09 3ifk h ARG 37 Ca 0.36 -0.03 0.36 0.00 0.07 0.00 0.00 59.98 60.74 3ifk h ARG 37 Cb 0.56 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3ifk h ARG 37 CO -0.46 0.26 0.95 0.66 -1.07 0.00 0.00 179.97 180.30 3ifk h SER 38 N 0.05 0.00 -0.26 7.04 4.64 -0.27 1.08 113.55 125.83 3ifk h SER 38 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ifk h SER 38 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3ifk h SER 38 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3ifk n LEU 39 N -4.04 1.83 0.00 5.97 4.77 -0.53 -4.87 117.00 120.14 3ifk n LEU 39 Ca 0.27 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3ifk n LEU 39 Cb 1.35 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 42.27 3ifk n LEU 39 CO 0.39 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3ifk n GLY 40 N 1.12 0.84 3.86 -0.72 0.00 0.37 -5.00 105.19 105.67 3ifk n GLY 40 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3ifk n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ifk s GLN 41 N -0.22 3.60 -0.39 1.61 -1.52 -0.49 -4.99 119.66 117.26 3ifk s GLN 41 Ca 0.00 0.80 0.08 0.00 -1.95 0.00 0.00 55.36 54.29 3ifk s GLN 41 Cb 0.00 -2.08 0.25 0.00 -0.22 0.00 0.00 33.01 30.96 3ifk s GLN 41 CO 0.00 -0.57 0.55 0.27 -0.25 0.00 0.00 175.29 175.29 3ifk n ASN 42 N -2.59 0.08 -4.79 5.90 0.23 -1.26 -3.61 115.26 109.21 3ifk n ASN 42 Ca 0.06 -2.73 -0.36 0.00 -0.53 0.00 0.00 54.58 51.02 3ifk n ASN 42 Cb 0.54 -0.54 -0.06 0.00 -2.08 0.00 0.00 39.78 37.63 3ifk n ASN 42 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 3ifk s PRO 43 N -1.17 4.47 0.99 -0.53 0.04 -1.26 -5.05 135.00 132.49 3ifk s PRO 43 Ca 0.35 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 3ifk s PRO 43 Cb 0.18 -2.71 0.18 0.00 0.04 0.00 0.00 34.50 32.20 3ifk s PRO 43 CO -0.11 0.25 1.08 0.95 0.04 0.00 0.00 177.00 179.21 3ifk s THR 44 N -1.70 2.27 0.14 1.26 -4.23 -1.26 -4.79 115.64 107.34 3ifk s THR 44 Ca 0.51 0.09 -0.30 0.00 -1.18 0.00 0.00 61.69 60.81 3ifk s THR 44 Cb -0.17 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 3ifk s THR 44 CO 0.22 -0.11 1.57 -0.08 -0.54 0.00 0.00 174.62 175.67 3ifk h GLU 45 N -1.92 -0.38 -0.31 3.99 4.22 -1.99 -0.96 114.58 117.23 3ifk h GLU 45 Ca -0.54 0.03 0.02 0.00 0.08 0.00 0.00 59.36 58.95 3ifk h GLU 45 Cb 1.31 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 3ifk h GLU 45 CO 0.54 -0.26 0.21 0.00 -2.18 0.00 0.00 179.01 177.32 3ifk h ALA 46 N 0.18 1.86 -0.19 2.92 0.00 -1.97 0.42 119.26 122.49 3ifk h ALA 46 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ifk h ALA 46 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ifk h ALA 46 CO -0.54 0.11 -0.08 0.93 0.00 0.00 0.00 179.25 179.67 3ifk h GLU 47 N 0.35 0.38 -0.43 0.00 5.08 -1.81 0.29 114.58 118.45 3ifk h GLU 47 Ca 0.12 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3ifk h GLU 47 Cb 0.05 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3ifk h GLU 47 CO -0.03 0.67 0.23 -0.07 -1.00 0.00 0.00 179.01 178.81 3ifk h LEU 48 N 0.08 0.34 -0.62 1.33 4.07 -0.15 -0.40 115.31 119.95 3ifk h LEU 48 Ca 0.04 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 3ifk h LEU 48 Cb 0.55 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 3ifk h LEU 48 CO 0.03 0.24 0.17 -0.61 -1.08 0.00 0.00 178.44 177.19 3ifk h GLN 49 N 0.45 0.98 -0.57 1.13 5.75 -0.14 0.26 115.11 122.98 3ifk h GLN 49 Ca 0.18 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3ifk h GLN 49 Cb 0.08 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 3ifk h GLN 49 CO -0.12 0.88 0.34 0.22 -2.65 0.00 0.00 178.83 177.51 3ifk h ASP 50 N 0.91 0.55 -0.39 -0.69 1.82 -0.01 0.45 116.42 119.05 3ifk h ASP 50 Ca 0.20 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.79 3ifk h ASP 50 Cb 0.33 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 3ifk h ASP 50 CO -0.00 0.39 0.03 0.24 -1.61 0.00 0.00 179.24 178.28 3ifk h MET 51 N 0.68 0.67 -0.41 0.28 2.86 -0.35 0.17 114.93 118.83 3ifk h MET 51 Ca 0.23 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3ifk h MET 51 Cb 0.04 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3ifk h MET 51 CO -0.11 0.74 0.24 0.82 1.06 0.00 0.00 176.91 179.66 3ifk h ILE 52 N 0.50 1.04 -0.27 -1.22 1.08 -0.07 -3.10 117.51 115.48 3ifk h ILE 52 Ca 0.11 -0.17 -0.12 0.00 -0.39 0.00 0.00 64.86 64.30 3ifk h ILE 52 Cb 0.42 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 3ifk h ILE 52 CO 0.01 0.09 -0.32 0.78 -0.69 0.00 0.00 178.15 178.02 3ifk h ASN 53 N 0.48 0.58 0.54 1.72 -0.26 0.69 0.62 115.58 119.95 3ifk h ASN 53 Ca 0.16 -0.23 -0.06 0.00 -0.56 0.00 0.00 56.30 55.61 3ifk h ASN 53 Cb 0.01 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 3ifk h ASN 53 CO -0.07 0.87 -0.29 -0.33 -1.06 0.00 0.00 177.43 176.55 3ifk h GLU 54 N 0.48 0.00 -0.01 0.81 4.39 -0.61 -3.04 114.58 116.61 3ifk h GLU 54 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3ifk h GLU 54 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3ifk h GLU 54 CO 0.06 0.29 -0.15 1.33 -1.16 0.00 0.00 179.01 179.38 3ifk n VAL 55 N -3.76 0.00 -2.48 3.13 0.24 -0.89 -4.72 118.33 109.85 3ifk n VAL 55 Ca -0.01 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 3ifk n VAL 55 Cb 0.39 1.13 -0.00 0.00 -1.47 0.00 0.00 33.84 33.88 3ifk n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3ifk n ASP 56 N -0.10 4.80 0.25 -1.34 4.64 0.21 -4.70 116.55 120.31 3ifk n ASP 56 Ca 0.04 -2.91 0.10 0.00 -1.38 0.00 0.00 54.79 50.64 3ifk n ASP 56 Cb 0.20 -1.74 0.66 0.00 -1.04 0.00 0.00 41.12 39.20 3ifk n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ifk h ALA 57 N 7.39 1.44 -0.52 -1.67 0.00 -1.84 -1.30 119.26 122.76 3ifk h ALA 57 Ca 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ifk h ALA 57 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ifk h ALA 57 CO 1.51 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 180.53 3ifk n ASP 58 N -3.90 4.27 -2.74 0.00 3.85 -1.26 -4.96 116.55 111.82 3ifk n ASP 58 Ca -0.02 -2.47 -0.11 0.00 -0.71 0.00 0.00 54.79 51.48 3ifk n ASP 58 Cb 0.23 -0.51 -0.01 0.00 -1.35 0.00 0.00 41.12 39.49 3ifk n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ifk n GLY 59 N 0.70 -0.49 0.69 6.12 0.00 -0.49 -4.78 105.19 106.94 3ifk n GLY 59 Ca 0.22 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.30 3ifk n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifk n ASN 60 N -1.80 1.92 0.00 1.61 6.94 -1.26 -4.86 115.26 117.80 3ifk n ASN 60 Ca -0.05 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 3ifk n ASN 60 Cb 0.55 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 3ifk n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ifk n GLY 61 N 0.61 2.77 3.34 4.83 0.00 -1.26 -4.98 105.19 110.49 3ifk n GLY 61 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 3ifk n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ifk s THR 62 N -2.03 1.22 -0.24 2.61 -4.23 -1.26 -4.61 115.64 107.10 3ifk s THR 62 Ca 0.00 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.37 3ifk s THR 62 Cb 0.00 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 3ifk s THR 62 CO 0.00 -0.41 0.06 -0.51 -0.54 0.00 0.00 174.62 173.22 3ifk s ILE 63 N -3.29 4.33 0.67 2.99 1.10 0.84 -4.79 121.20 123.04 3ifk s ILE 63 Ca 0.26 -0.17 0.02 0.00 -0.51 0.00 0.00 60.65 60.24 3ifk s ILE 63 Cb 0.04 -3.01 0.11 0.00 0.15 0.00 0.00 42.46 39.75 3ifk s ILE 63 CO 0.08 0.36 0.93 1.51 -2.11 0.00 0.00 174.94 175.71 3ifk s ASP 64 N 1.39 4.61 0.22 4.50 3.84 -1.26 0.14 116.67 130.11 3ifk s ASP 64 Ca 0.05 -0.42 -0.07 0.00 -0.00 0.00 0.00 52.55 52.12 3ifk s ASP 64 Cb -0.15 -0.06 0.19 0.00 -1.38 0.00 0.00 42.92 41.52 3ifk s ASP 64 CO 0.03 -1.67 1.76 0.15 -0.00 0.00 0.00 175.17 175.44 3ifk h PHE 65 N -0.31 1.13 -0.99 2.11 3.04 -1.98 0.96 116.94 120.91 3ifk h PHE 65 Ca -0.36 -0.12 0.06 0.00 3.98 0.00 0.00 57.97 61.54 3ifk h PHE 65 Cb 1.27 -0.33 -0.07 0.00 2.56 0.00 0.00 35.95 39.39 3ifk h PHE 65 CO -0.01 0.91 0.64 -1.35 -2.02 0.00 0.00 178.31 176.47 3ifk h PRO 66 N 1.04 1.13 -0.30 6.41 0.11 -1.94 0.44 132.00 138.89 3ifk h PRO 66 Ca 0.22 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 66.10 3ifk h PRO 66 Cb 0.32 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3ifk h PRO 66 CO -0.00 0.75 -0.49 0.93 -0.21 0.00 0.00 178.00 178.98 3ifk h GLU 67 N 1.16 0.83 -0.20 1.05 5.08 -1.75 0.97 114.58 121.72 3ifk h GLU 67 Ca 0.42 -0.49 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3ifk h GLU 67 Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3ifk h GLU 67 CO -0.17 1.12 0.06 0.35 -1.00 0.00 0.00 179.01 179.37 3ifk h PHE 68 N 0.65 0.10 -0.57 4.33 3.57 -0.28 -0.41 116.94 124.33 3ifk h PHE 68 Ca 0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3ifk h PHE 68 Cb 1.07 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3ifk h PHE 68 CO 0.06 0.05 0.26 1.25 -2.23 0.00 0.00 178.31 177.70 3ifk h LEU 69 N 0.15 0.77 -0.34 0.59 6.46 0.02 0.96 115.31 123.91 3ifk h LEU 69 Ca 0.09 -0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.76 3ifk h LEU 69 Cb 0.06 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 39.74 3ifk h LEU 69 CO -0.10 0.70 -0.03 0.00 -0.62 0.00 0.00 178.44 178.40 3ifk h THR 70 N 0.78 0.72 -0.16 1.05 1.03 -0.55 0.69 112.91 116.46 3ifk h THR 70 Ca 0.20 -0.02 0.02 0.00 -0.01 0.00 0.00 66.41 66.60 3ifk h THR 70 Cb 0.15 0.65 -0.02 0.00 -1.07 0.00 0.00 68.15 67.85 3ifk h THR 70 CO -0.02 0.01 0.01 -0.03 -0.01 0.00 0.00 175.52 175.48 3ifk h MET 71 N 0.06 0.07 -0.26 0.00 1.85 -0.37 0.18 114.93 116.46 3ifk h MET 71 Ca 0.17 -0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 59.10 3ifk h MET 71 Cb 0.24 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.25 3ifk h MET 71 CO -0.30 0.05 -0.43 0.52 -0.40 0.00 0.00 176.91 176.34 3ifk h MET 72 N 0.07 0.76 -0.43 0.39 2.07 -0.63 0.28 114.93 117.45 3ifk h MET 72 Ca 0.08 -0.46 -0.09 0.00 -2.07 0.00 0.00 59.70 57.15 3ifk h MET 72 Cb 0.08 0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.84 3ifk h MET 72 CO -0.12 1.09 -0.11 0.00 1.07 0.00 0.00 176.91 178.84 3ifk h ALA 73 N 0.66 1.00 -0.41 6.32 0.00 0.52 0.21 119.26 127.57 3ifk h ALA 73 Ca 0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3ifk h ALA 73 Cb 1.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3ifk h ALA 73 CO 0.10 0.60 -0.09 -0.09 0.00 0.00 0.00 179.25 179.77 3ifk h ARG 74 N 0.70 0.78 -0.79 0.00 2.43 -0.11 0.11 114.38 117.50 3ifk h ARG 74 Ca 0.12 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3ifk h ARG 74 Cb 0.59 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3ifk h ARG 74 CO 0.04 0.91 0.50 -0.22 -1.51 0.00 0.00 179.97 179.69 3ifk h LYS 75 N 0.60 1.06 0.14 0.20 1.63 -0.10 0.55 116.57 120.65 3ifk h LYS 75 Ca 0.10 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3ifk h LYS 75 Cb 0.61 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3ifk h LYS 75 CO 0.04 0.72 -0.07 1.98 -3.45 0.00 0.00 179.45 178.68 3ifk h MET 76 N 1.08 -0.18 -0.93 1.90 4.05 -0.22 0.41 114.93 121.05 3ifk h MET 76 Ca 0.29 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.75 3ifk h MET 76 Cb -0.09 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 3ifk h MET 76 CO -0.06 0.07 0.61 -0.22 0.23 0.00 0.00 176.91 177.55 3ifk h LYS 77 N -0.41 1.17 -0.42 0.39 1.63 -0.55 0.13 116.57 118.51 3ifk h LYS 77 Ca -0.02 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3ifk h LYS 77 Cb 0.33 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3ifk h LYS 77 CO 0.03 0.77 0.18 -0.44 -3.45 0.00 0.00 179.45 176.54 3ifk h ASP 78 N 1.20 0.57 0.15 4.20 3.45 0.67 -3.04 116.42 123.62 3ifk h ASP 78 Ca 0.36 -0.15 0.01 0.00 0.43 0.00 0.00 57.03 57.68 3ifk h ASP 78 Cb -0.04 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 3ifk h ASP 78 CO -0.11 0.57 -0.21 0.74 -1.57 0.00 0.00 179.24 178.66 3ifk h THR 79 N 0.54 0.53 -2.87 0.35 2.02 0.10 0.75 112.91 114.33 3ifk h THR 79 Ca 0.14 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.74 3ifk h THR 79 Cb 0.17 0.53 0.10 0.00 -1.74 0.00 0.00 68.15 67.21 3ifk h THR 79 CO -0.01 0.00 0.44 0.47 0.37 0.00 0.00 175.52 176.79 3ifk n ASP 80 N -5.34 2.36 0.00 4.18 8.00 0.42 -0.20 116.55 125.98 3ifk n ASP 80 Ca -0.07 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.61 3ifk n ASP 80 Cb 0.25 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 3ifk n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3ifk n SER 81 N 1.33 0.00 -0.08 -2.24 2.88 -1.26 -4.25 113.62 109.99 3ifk n SER 81 Ca 0.08 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.60 3ifk n SER 81 Cb 0.33 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.00 3ifk n SER 81 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3ifk h GLU 82 N 0.00 0.73 -0.14 -1.46 5.08 0.04 0.40 114.58 119.23 3ifk h GLU 82 Ca 0.00 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 57.99 3ifk h GLU 82 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3ifk h GLU 82 CO 0.00 0.71 -0.71 0.93 -1.00 0.00 0.00 179.01 178.94 3ifk h GLU 83 N 0.69 0.62 0.02 2.33 4.39 -0.76 0.49 114.58 122.37 3ifk h GLU 83 Ca 0.14 -0.48 0.03 0.00 0.34 0.00 0.00 59.36 59.39 3ifk h GLU 83 Cb 0.37 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 3ifk h GLU 83 CO 0.01 1.10 -0.26 1.49 -1.16 0.00 0.00 179.01 180.19 3ifk h GLU 84 N 0.44 -0.40 -0.37 2.33 4.81 -1.75 0.97 114.58 120.60 3ifk h GLU 84 Ca -0.03 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3ifk h GLU 84 Cb 1.31 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 3ifk h GLU 84 CO 0.14 -0.27 -0.12 0.82 -0.73 0.00 0.00 179.01 178.85 3ifk h ILE 85 N -0.42 1.25 -0.85 2.32 2.04 -0.08 -0.94 117.51 120.83 3ifk h ILE 85 Ca 0.06 -1.12 0.09 0.00 1.00 0.00 0.00 64.86 64.89 3ifk h ILE 85 Cb 0.49 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 3ifk h ILE 85 CO -0.22 0.37 0.51 -0.09 0.00 0.00 0.00 178.15 178.72 3ifk h ARG 86 N 0.59 0.83 -0.37 2.37 2.43 0.63 0.25 114.38 121.11 3ifk h ARG 86 Ca 0.10 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3ifk h ARG 86 Cb 0.55 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3ifk h ARG 86 CO 0.03 0.55 -0.33 0.93 -1.51 0.00 0.00 179.97 179.65 3ifk h GLU 87 N 0.86 0.83 -0.49 0.20 4.39 -0.27 -1.72 114.58 118.38 3ifk h GLU 87 Ca 0.40 -0.40 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3ifk h GLU 87 Cb 0.33 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3ifk h GLU 87 CO -0.23 1.04 0.19 0.00 -1.16 0.00 0.00 179.01 178.85 3ifk h ALA 88 N 0.93 0.64 0.00 3.43 0.00 -0.58 -3.51 119.26 120.17 3ifk h ALA 88 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ifk h ALA 88 Cb 0.89 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ifk h ALA 88 CO 0.08 0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.77