#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 0.86 -0.64 1.08 7.94 -1.26 -5.10 117.00 119.88 3ifk n LEU 4 Ca 0.00 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 3ifk n LEU 4 Cb 0.00 0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.08 3ifk n LEU 4 CO 0.00 0.27 -0.18 0.35 -1.11 0.00 0.00 177.39 176.71 3ifk n THR 5 N -2.96 -2.68 -0.17 1.96 -2.24 -1.26 -4.41 114.28 102.51 3ifk n THR 5 Ca -0.13 0.96 -0.05 0.00 -2.27 0.00 0.00 64.05 62.55 3ifk n THR 5 Cb 0.95 -1.32 0.04 0.00 -2.10 0.00 0.00 70.33 67.89 3ifk n THR 5 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ifk h GLU 6 N 0.64 0.57 -0.33 -0.78 4.81 -1.99 -1.06 114.58 116.44 3ifk h GLU 6 Ca 0.00 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 3ifk h GLU 6 Cb 0.02 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 3ifk h GLU 6 CO 0.00 0.38 -0.45 1.49 -0.73 0.00 0.00 179.01 179.69 3ifk h GLU 7 N 0.58 0.87 -0.62 1.92 4.81 -1.98 0.25 114.58 120.41 3ifk h GLU 7 Ca 0.21 -0.49 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 3ifk h GLU 7 Cb 0.04 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3ifk h GLU 7 CO -0.10 1.13 0.28 1.96 -0.73 0.00 0.00 179.01 181.55 3ifk h GLN 8 N 0.69 0.91 -0.55 1.92 4.20 -1.70 0.37 115.11 120.94 3ifk h GLN 8 Ca 0.04 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 3ifk h GLN 8 Cb 1.04 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 3ifk h GLN 8 CO 0.10 0.74 -0.04 -0.84 -0.67 0.00 0.00 178.83 178.12 3ifk h ILE 9 N 0.86 1.27 -0.99 2.54 3.07 -0.62 0.23 117.51 123.87 3ifk h ILE 9 Ca 0.21 -1.18 0.05 0.00 1.55 0.00 0.00 64.86 65.49 3ifk h ILE 9 Cb 0.15 0.92 -0.06 0.00 -0.27 0.00 0.00 36.82 37.55 3ifk h ILE 9 CO -0.02 0.42 0.64 0.00 -1.05 0.00 0.00 178.15 178.14 3ifk h ALA 10 N 0.95 1.34 -0.24 0.16 0.00 -0.16 0.48 119.26 121.80 3ifk h ALA 10 Ca 0.15 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3ifk h ALA 10 Cb 0.60 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ifk h ALA 10 CO 0.04 0.48 -0.52 0.93 0.00 0.00 0.00 179.25 180.17 3ifk h GLU 11 N 1.20 0.68 -0.53 0.00 5.08 0.39 -1.65 114.58 119.75 3ifk h GLU 11 Ca 0.41 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ifk h GLU 11 Cb 0.09 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ifk h GLU 11 CO -0.15 1.03 0.35 0.74 -1.00 0.00 0.00 179.01 179.98 3ifk h PHE 12 N 0.53 0.67 -1.00 4.33 0.05 -0.14 0.19 116.94 121.57 3ifk h PHE 12 Ca 0.02 0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.86 3ifk h PHE 12 Cb 1.08 -0.23 -0.06 0.00 2.00 0.00 0.00 35.95 38.75 3ifk h PHE 12 CO 0.05 0.42 0.65 0.87 -0.18 0.00 0.00 178.31 180.13 3ifk h LYS 13 N 0.72 1.24 -0.33 1.51 1.79 0.30 0.47 116.57 122.27 3ifk h LYS 13 Ca 0.19 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.50 3ifk h LYS 13 Cb -0.08 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.28 3ifk h LYS 13 CO -0.04 0.82 -0.15 1.49 -1.08 0.00 0.00 179.45 180.49 3ifk h GLU 14 N 1.28 0.69 -0.71 3.15 4.81 -1.07 -1.21 114.58 121.52 3ifk h GLU 14 Ca 0.39 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3ifk h GLU 14 Cb -0.03 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3ifk h GLU 14 CO -0.12 0.89 0.22 0.00 -0.73 0.00 0.00 179.01 179.27 3ifk h ALA 15 N 0.78 0.94 -0.81 2.92 0.00 0.27 -2.29 119.26 121.06 3ifk h ALA 15 Ca 0.08 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3ifk h ALA 15 Cb 0.68 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 3ifk h ALA 15 CO 0.05 0.62 0.44 0.35 0.00 0.00 0.00 179.25 180.71 3ifk h PHE 16 N 1.06 0.79 0.00 0.00 3.04 0.19 0.14 116.94 122.16 3ifk h PHE 16 Ca 0.23 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.21 3ifk h PHE 16 Cb 0.31 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.59 3ifk h PHE 16 CO 0.03 0.29 0.00 0.66 -2.02 0.00 0.00 178.31 177.27 3ifk h SER 17 N 0.72 0.00 0.76 0.41 4.64 -0.64 0.73 113.55 120.16 3ifk h SER 17 Ca 0.40 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.70 3ifk h SER 17 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3ifk h SER 17 CO -0.28 0.00 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.49 3ifk h LEU 18 N 0.00 0.00 0.00 5.97 3.38 -0.53 -3.09 115.31 121.04 3ifk h LEU 18 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3ifk h LEU 18 Cb 0.38 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3ifk h LEU 18 CO 0.00 0.13 -2.32 0.49 0.09 0.00 0.00 178.44 176.83 3ifk n PHE 19 N -3.35 0.00 -2.36 1.13 3.72 0.01 -4.60 117.46 112.01 3ifk n PHE 19 Ca -0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 3ifk n PHE 19 Cb 0.33 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 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 -3.30 4.68 -0.06 4.37 4.64 0.23 -4.65 116.55 122.47 3ifk n ASP 20 Ca -0.42 -2.93 -0.14 0.00 -1.38 0.00 0.00 54.79 49.93 3ifk n ASP 20 Cb 0.92 -1.66 -0.02 0.00 -1.04 0.00 0.00 41.12 39.32 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 6.81 0.81 0.00 -0.67 1.57 -1.81 -1.95 116.57 121.33 3ifk h LYS 21 Ca 0.46 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3ifk h LYS 21 Cb 0.77 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3ifk h LYS 21 CO 1.57 1.15 0.00 -0.40 -0.57 0.00 0.00 179.45 181.20 3ifk n ASP 22 N -3.99 0.00 -1.43 0.86 5.68 -1.26 -4.84 116.55 111.57 3ifk n ASP 22 Ca -0.04 -1.44 -0.19 0.00 -0.50 0.00 0.00 54.79 52.62 3ifk n ASP 22 Cb 0.63 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.53 3ifk n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ifk n GLY 23 N 0.44 1.79 0.12 6.12 0.00 -0.73 -4.78 105.19 108.14 3ifk n GLY 23 Ca 0.06 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.26 0.38 0.00 1.61 3.85 -1.26 -4.88 116.55 114.99 3ifk n ASP 24 Ca -0.19 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.89 3ifk n ASP 24 Cb 0.65 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.40 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 1.09 0.74 3.08 6.12 0.00 -1.26 -5.04 105.19 109.92 3ifk n GLY 25 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.48 0.60 -0.17 2.61 -4.23 -1.26 -3.56 115.64 107.16 3ifk s THR 26 Ca 0.00 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.30 3ifk s THR 26 Cb 0.00 -0.73 -0.02 0.00 1.34 0.00 0.00 72.50 73.08 3ifk s THR 26 CO 0.00 -0.41 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.00 3ifk s ILE 27 N -1.56 3.77 0.27 2.99 1.01 0.65 -4.52 121.20 123.82 3ifk s ILE 27 Ca -0.08 -0.39 0.08 0.00 0.00 0.00 0.00 60.65 60.26 3ifk s ILE 27 Cb -0.09 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3ifk s ILE 27 CO 0.00 0.48 0.11 0.28 0.00 0.00 0.00 174.94 175.81 3ifk s THR 28 N 0.58 3.79 0.43 2.92 -1.32 -1.26 0.16 115.64 120.94 3ifk s THR 28 Ca -0.03 -1.65 0.11 0.00 -1.21 0.00 0.00 61.69 58.91 3ifk s THR 28 Cb -0.14 -3.10 0.29 0.00 -1.51 0.00 0.00 72.50 68.04 3ifk s THR 28 CO 0.03 -0.33 2.03 0.71 -2.21 0.00 0.00 174.62 174.85 3ifk h THR 29 N 1.65 1.01 -0.18 5.08 1.35 -1.89 -0.42 112.91 119.50 3ifk h THR 29 Ca -0.46 -0.16 0.04 0.00 -0.55 0.00 0.00 66.41 65.28 3ifk h THR 29 Cb 1.25 0.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 3ifk h THR 29 CO 0.61 0.08 -0.04 0.11 -0.25 0.00 0.00 175.52 176.03 3ifk h LYS 30 N 0.45 0.01 -0.42 4.72 1.57 -1.97 0.56 116.57 121.49 3ifk h LYS 30 Ca 0.19 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3ifk h LYS 30 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3ifk h LYS 30 CO -0.05 0.00 -0.10 0.93 -0.57 0.00 0.00 179.45 179.67 3ifk h GLU 31 N 0.01 0.81 -0.57 3.15 5.08 -1.63 1.41 114.58 122.83 3ifk h GLU 31 Ca 0.09 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3ifk h GLU 31 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ifk h GLU 31 CO -0.18 0.93 0.19 1.25 -1.00 0.00 0.00 179.01 180.20 3ifk h LEU 32 N 0.64 0.82 -0.43 1.33 5.85 -0.94 -0.10 115.31 122.48 3ifk h LEU 32 Ca 0.11 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3ifk h LEU 32 Cb 0.63 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3ifk h LEU 32 CO 0.04 0.80 0.20 1.23 -0.34 0.00 0.00 178.44 180.38 3ifk h GLY 33 N 0.80 0.67 0.97 3.75 0.00 0.12 0.41 103.07 109.79 3ifk h GLY 33 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3ifk h GLY 33 CO -0.01 0.32 0.23 0.00 0.00 0.00 0.00 176.54 177.08 3ifk h THR 34 N 0.56 1.19 -0.32 4.70 1.03 0.24 -0.11 112.91 120.20 3ifk h THR 34 Ca 0.15 -0.56 -0.01 0.00 -0.01 0.00 0.00 66.41 65.98 3ifk h THR 34 Cb 0.13 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 67.85 3ifk h THR 34 CO -0.02 0.22 0.14 0.58 -0.01 0.00 0.00 175.52 176.43 3ifk h VAL 35 N 0.64 1.17 -0.47 0.00 2.07 -0.71 -0.28 116.25 118.67 3ifk h VAL 35 Ca 0.17 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.28 3ifk h VAL 35 Cb 0.13 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 3ifk h VAL 35 CO -0.02 0.17 0.06 0.24 0.02 0.00 0.00 177.57 178.04 3ifk h MET 36 N 0.37 0.18 -0.68 1.57 2.86 0.26 -0.89 114.93 118.60 3ifk h MET 36 Ca 0.11 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3ifk h MET 36 Cb 0.14 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3ifk h MET 36 CO -0.01 0.12 0.19 0.00 1.06 0.00 0.00 176.91 178.26 3ifk h ARG 37 N 0.18 1.07 -0.13 1.72 3.08 -0.75 -0.25 114.38 119.31 3ifk h ARG 37 Ca 0.23 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 60.07 3ifk h ARG 37 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3ifk h ARG 37 CO -0.34 0.95 0.14 0.66 -1.07 0.00 0.00 179.97 180.31 3ifk h SER 38 N 1.01 0.00 -0.16 7.04 4.64 -0.08 1.43 113.55 127.43 3ifk h SER 38 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3ifk h SER 38 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 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 -3.80 1.11 0.00 5.97 4.77 -0.43 -4.90 117.00 119.71 3ifk n LEU 39 Ca 0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3ifk n LEU 39 Cb 0.25 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ifk n LEU 39 CO 0.27 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3ifk n GLY 40 N 0.94 0.41 3.91 -0.72 0.00 0.49 -5.02 105.19 105.19 3ifk n GLY 40 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.57 2.28 -0.43 1.61 1.11 -0.13 -4.95 119.66 118.57 3ifk s GLN 41 Ca 0.00 0.03 0.08 0.00 0.01 0.00 0.00 55.36 55.48 3ifk s GLN 41 Cb 0.00 -2.07 0.26 0.00 -1.01 0.00 0.00 33.01 30.19 3ifk s GLN 41 CO 0.00 -1.30 0.57 0.09 0.01 0.00 0.00 175.29 174.66 3ifk n ASN 42 N -3.07 0.81 -4.75 5.90 4.13 -1.26 -3.66 115.26 113.36 3ifk n ASN 42 Ca 0.07 -2.84 -0.37 0.00 1.68 0.00 0.00 54.58 53.13 3ifk n ASN 42 Cb 0.60 -0.64 0.04 0.00 -1.54 0.00 0.00 39.78 38.24 3ifk n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3ifk s PRO 43 N -1.49 2.94 0.59 3.52 0.04 -1.26 -5.00 135.00 134.34 3ifk s PRO 43 Ca 0.36 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 3ifk s PRO 43 Cb 0.18 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 3ifk s PRO 43 CO -0.09 -1.28 1.00 0.95 0.04 0.00 0.00 177.00 177.62 3ifk s THR 44 N -1.46 4.71 0.34 1.26 -4.23 -1.26 -4.88 115.64 110.12 3ifk s THR 44 Ca 0.77 0.86 0.11 0.00 -1.18 0.00 0.00 61.69 62.25 3ifk s THR 44 Cb -0.35 -3.85 0.33 0.00 1.34 0.00 0.00 72.50 69.97 3ifk s THR 44 CO 0.38 -1.07 1.77 -0.33 -0.54 0.00 0.00 174.62 174.84 3ifk h GLU 45 N -0.12 0.58 -0.46 3.99 4.39 -1.98 0.04 114.58 121.02 3ifk h GLU 45 Ca -0.45 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 3ifk h GLU 45 Cb 1.19 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 3ifk h GLU 45 CO 0.62 0.38 0.12 0.00 -1.16 0.00 0.00 179.01 178.97 3ifk h ALA 46 N 1.66 0.61 -0.18 3.43 0.00 -1.98 0.52 119.26 123.32 3ifk h ALA 46 Ca 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3ifk h ALA 46 Cb 1.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ifk h ALA 46 CO -0.36 0.29 0.07 0.93 0.00 0.00 0.00 179.25 180.17 3ifk h GLU 47 N 0.62 0.27 0.09 0.00 5.08 -1.51 0.26 114.58 119.38 3ifk h GLU 47 Ca 0.15 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3ifk h GLU 47 Cb 0.31 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3ifk h GLU 47 CO 0.00 0.35 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.22 3ifk h LEU 48 N 0.13 -0.17 -0.39 1.33 4.07 -0.83 0.52 115.31 119.96 3ifk h LEU 48 Ca 0.06 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.08 3ifk h LEU 48 Cb 0.18 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 3ifk h LEU 48 CO -0.00 -0.11 0.12 -0.61 -1.08 0.00 0.00 178.44 176.76 3ifk h GLN 49 N -0.16 0.26 -0.75 1.13 5.75 0.12 0.58 115.11 122.04 3ifk h GLN 49 Ca -0.00 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 3ifk h GLN 49 Cb 0.15 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3ifk h GLN 49 CO -0.00 0.17 0.26 0.22 -2.65 0.00 0.00 178.83 176.83 3ifk h ASP 50 N 0.27 1.06 -0.10 -0.69 3.58 0.04 0.78 116.42 121.35 3ifk h ASP 50 Ca 0.18 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 3ifk h ASP 50 Cb 0.18 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 3ifk h ASP 50 CO -0.20 0.96 0.06 0.24 -2.88 0.00 0.00 179.24 177.42 3ifk h MET 51 N 1.10 0.14 -0.88 0.28 2.86 0.15 -0.64 114.93 117.94 3ifk h MET 51 Ca 0.25 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.92 3ifk h MET 51 Cb 0.26 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 3ifk h MET 51 CO -0.01 0.16 0.56 0.82 1.06 0.00 0.00 176.91 179.49 3ifk h ILE 52 N 0.09 1.08 -0.33 -1.22 1.08 0.52 -2.71 117.51 116.01 3ifk h ILE 52 Ca 0.04 -0.36 -0.10 0.00 -0.39 0.00 0.00 64.86 64.05 3ifk h ILE 52 Cb 0.06 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 33.74 3ifk h ILE 52 CO -0.01 0.19 -0.20 0.78 -0.69 0.00 0.00 178.15 178.23 3ifk h ASN 53 N 1.04 0.63 0.38 1.72 -0.26 0.12 0.95 115.58 120.15 3ifk h ASN 53 Ca 0.37 -0.20 -0.03 0.00 -0.56 0.00 0.00 56.30 55.88 3ifk h ASN 53 Cb 0.12 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 3ifk h ASN 53 CO -0.16 0.83 -0.15 -0.33 -1.06 0.00 0.00 177.43 176.56 3ifk h GLU 54 N 0.56 0.00 -0.00 0.81 5.08 -0.79 -3.04 114.58 117.20 3ifk h GLU 54 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ifk h GLU 54 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3ifk h GLU 54 CO 0.05 0.15 -0.08 1.33 -1.00 0.00 0.00 179.01 179.45 3ifk n VAL 55 N -3.73 0.00 -2.14 3.13 0.24 -0.97 -4.78 118.33 110.07 3ifk n VAL 55 Ca -0.02 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 3ifk n VAL 55 Cb 0.26 1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.60 4.27 -0.05 -1.34 4.64 0.29 -4.71 116.55 119.05 3ifk n ASP 56 Ca 0.01 -2.86 0.17 0.00 -1.38 0.00 0.00 54.79 50.73 3ifk n ASP 56 Cb 0.06 -1.68 0.61 0.00 -1.04 0.00 0.00 41.12 39.07 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 7.16 2.31 -0.11 -1.67 0.00 -1.86 -0.93 119.26 124.16 3ifk h ALA 57 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3ifk h ALA 57 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ifk h ALA 57 CO 1.63 -0.46 0.00 -0.40 0.00 0.00 0.00 179.25 180.02 3ifk n ASP 58 N -4.42 3.01 -1.01 0.00 3.85 -1.26 -4.94 116.55 111.78 3ifk n ASP 58 Ca 0.10 -1.97 -0.13 0.00 -0.71 0.00 0.00 54.79 52.08 3ifk n ASP 58 Cb 0.53 -0.05 -0.06 0.00 -1.35 0.00 0.00 41.12 40.19 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 1.37 1.36 0.22 6.12 0.00 -0.36 -4.84 105.19 109.06 3ifk n GLY 59 Ca 0.15 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.58 0.65 0.00 1.61 6.94 -1.26 -4.88 115.26 117.74 3ifk n ASN 60 Ca -0.13 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.80 3ifk n ASN 60 Cb 0.49 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.88 1.20 3.27 4.83 0.00 -1.26 -5.02 105.19 109.08 3ifk n GLY 61 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.81 1.02 -0.27 2.61 -4.23 -1.26 -4.54 115.64 106.15 3ifk s THR 62 Ca 0.00 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 3ifk s THR 62 Cb 0.00 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 3ifk s THR 62 CO 0.00 -0.59 0.11 -0.51 -0.54 0.00 0.00 174.62 173.09 3ifk s ILE 63 N -3.43 4.50 0.61 2.99 1.10 0.42 -4.79 121.20 122.61 3ifk s ILE 63 Ca 0.21 -0.24 -0.02 0.00 -0.51 0.00 0.00 60.65 60.10 3ifk s ILE 63 Cb 0.04 -3.18 0.04 0.00 0.15 0.00 0.00 42.46 39.51 3ifk s ILE 63 CO 0.03 0.23 0.87 1.51 -2.11 0.00 0.00 174.94 175.47 3ifk s ASP 64 N 1.63 5.09 0.19 4.50 3.84 -1.26 0.24 116.67 130.90 3ifk s ASP 64 Ca 0.06 0.15 -0.11 0.00 -0.00 0.00 0.00 52.55 52.65 3ifk s ASP 64 Cb -0.16 -0.94 0.22 0.00 -1.38 0.00 0.00 42.92 40.66 3ifk s ASP 64 CO 0.05 -1.32 1.73 0.15 -0.00 0.00 0.00 175.17 175.79 3ifk h PHE 65 N -0.18 0.28 -0.47 2.11 3.04 -1.97 0.42 116.94 120.16 3ifk h PHE 65 Ca -0.43 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.59 3ifk h PHE 65 Cb 1.30 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.74 3ifk h PHE 65 CO 0.35 0.06 0.32 -1.35 -2.02 0.00 0.00 178.31 175.66 3ifk h PRO 66 N 0.33 0.47 -0.11 6.41 0.11 -1.94 0.65 132.00 137.92 3ifk h PRO 66 Ca 0.27 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.18 3ifk h PRO 66 Cb 0.34 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.35 3ifk h PRO 66 CO -0.30 0.31 -0.62 0.93 -0.21 0.00 0.00 178.00 178.11 3ifk h GLU 67 N 0.48 0.61 -0.23 1.05 5.08 -1.62 0.12 114.58 120.08 3ifk h GLU 67 Ca 0.20 -0.51 0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3ifk h GLU 67 Cb 0.17 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3ifk h GLU 67 CO -0.05 1.13 -0.07 0.35 -1.00 0.00 0.00 179.01 179.37 3ifk h PHE 68 N 0.25 -0.16 -0.52 4.33 3.57 -0.31 0.52 116.94 124.60 3ifk h PHE 68 Ca -0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3ifk h PHE 68 Cb 1.26 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 3ifk h PHE 68 CO 0.11 -0.12 0.28 1.25 -2.23 0.00 0.00 178.31 177.59 3ifk h LEU 69 N -0.03 0.66 -1.31 0.59 6.46 0.41 0.17 115.31 122.26 3ifk h LEU 69 Ca 0.11 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3ifk h LEU 69 Cb 0.20 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 3ifk h LEU 69 CO -0.25 0.57 0.43 0.00 -0.62 0.00 0.00 178.44 178.57 3ifk h THR 70 N 0.70 1.18 -0.10 1.05 1.03 -0.31 0.46 112.91 116.91 3ifk h THR 70 Ca 0.18 -0.35 -0.01 0.00 -0.01 0.00 0.00 66.41 66.22 3ifk h THR 70 Cb 0.07 0.21 -0.00 0.00 -1.07 0.00 0.00 68.15 67.35 3ifk h THR 70 CO -0.03 0.18 0.01 -0.03 -0.01 0.00 0.00 175.52 175.64 3ifk h MET 71 N 0.92 0.16 -0.42 0.00 1.85 -0.21 -1.27 114.93 115.96 3ifk h MET 71 Ca 0.24 -0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 59.18 3ifk h MET 71 Cb -0.08 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.92 3ifk h MET 71 CO -0.05 0.39 -0.18 0.52 -0.40 0.00 0.00 176.91 177.19 3ifk h MET 72 N -0.08 0.81 -0.65 0.39 2.86 -0.31 0.78 114.93 118.74 3ifk h MET 72 Ca 0.03 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3ifk h MET 72 Cb 0.31 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3ifk h MET 72 CO 0.00 0.93 0.34 0.00 1.06 0.00 0.00 176.91 179.24 3ifk h ALA 73 N 1.08 0.83 -0.03 6.32 0.00 0.01 0.34 119.26 127.80 3ifk h ALA 73 Ca 0.11 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3ifk h ALA 73 Cb 0.69 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ifk h ALA 73 CO 0.05 0.37 -0.91 -0.09 0.00 0.00 0.00 179.25 178.67 3ifk h ARG 74 N 0.89 0.52 -0.37 0.00 2.43 -0.07 0.12 114.38 117.90 3ifk h ARG 74 Ca 0.23 -0.51 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 3ifk h ARG 74 Cb 0.07 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3ifk h ARG 74 CO -0.03 1.15 0.21 -0.22 -1.51 0.00 0.00 179.97 179.56 3ifk h LYS 75 N 0.31 0.41 -0.53 0.20 1.63 0.86 0.55 116.57 120.01 3ifk h LYS 75 Ca -0.08 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.76 3ifk h LYS 75 Cb 1.54 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 33.02 3ifk h LYS 75 CO 0.17 0.27 0.23 1.98 -3.45 0.00 0.00 179.45 178.65 3ifk h MET 76 N 0.43 0.43 -0.34 1.90 4.05 -0.06 0.56 114.93 121.90 3ifk h MET 76 Ca 0.15 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3ifk h MET 76 Cb 0.02 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 3ifk h MET 76 CO -0.08 0.28 0.18 -0.22 0.23 0.00 0.00 176.91 177.30 3ifk h LYS 77 N 0.44 0.35 -0.09 0.39 3.64 0.01 -1.11 116.57 120.20 3ifk h LYS 77 Ca 0.24 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3ifk h LYS 77 Cb 0.21 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3ifk h LYS 77 CO -0.21 0.23 0.03 -0.44 -2.27 0.00 0.00 179.45 176.79 3ifk h ASP 78 N 0.36 0.13 -0.61 4.20 3.45 0.12 0.14 116.42 124.22 3ifk h ASP 78 Ca 0.14 -0.20 0.10 0.00 0.43 0.00 0.00 57.03 57.50 3ifk h ASP 78 Cb 0.04 -0.03 -0.08 0.00 -0.56 0.00 0.00 39.33 38.70 3ifk h ASP 78 CO -0.09 0.30 0.19 0.74 -1.57 0.00 0.00 179.24 178.81 3ifk h THR 79 N -0.04 0.71 -0.51 0.35 2.02 0.22 0.66 112.91 116.32 3ifk h THR 79 Ca 0.03 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 3ifk h THR 79 Cb 0.21 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3ifk h THR 79 CO -0.00 0.06 0.06 0.44 0.37 0.00 0.00 175.52 176.45 3ifk h ASP 80 N 0.34 0.83 -0.58 4.18 3.45 -0.64 0.50 116.42 124.50 3ifk h ASP 80 Ca 0.32 -0.27 -0.08 0.00 0.43 0.00 0.00 57.03 57.42 3ifk h ASP 80 Cb 0.43 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 3ifk h ASP 80 CO -0.35 0.90 0.07 -1.28 -1.57 0.00 0.00 179.24 177.01 3ifk h SER 81 N 0.74 0.97 0.05 6.45 0.87 0.13 0.38 113.55 123.14 3ifk h SER 81 Ca 0.15 -0.24 -0.15 0.00 -1.23 0.00 0.00 61.79 60.33 3ifk h SER 81 Cb 0.44 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3ifk h SER 81 CO 0.01 0.99 -0.50 -0.33 -0.53 0.00 0.00 176.83 176.48 3ifk h GLU 82 N 0.95 0.50 -0.44 2.24 5.08 0.11 -0.43 114.58 122.58 3ifk h GLU 82 Ca 0.18 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3ifk h GLU 82 Cb 0.45 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3ifk h GLU 82 CO 0.02 0.89 0.27 0.93 -1.00 0.00 0.00 179.01 180.11 3ifk h GLU 83 N 0.40 0.60 -0.30 2.33 5.08 0.33 0.51 114.58 123.53 3ifk h GLU 83 Ca 0.02 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3ifk h GLU 83 Cb 1.01 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3ifk h GLU 83 CO 0.09 0.45 0.11 1.49 -1.00 0.00 0.00 179.01 180.15 3ifk h GLU 84 N 0.59 0.24 -0.69 2.33 4.81 -0.59 0.45 114.58 121.72 3ifk h GLU 84 Ca 0.16 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3ifk h GLU 84 Cb -0.00 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3ifk h GLU 84 CO -0.03 0.16 0.38 0.82 -0.73 0.00 0.00 179.01 179.61 3ifk h ILE 85 N 0.25 1.21 -0.65 2.32 2.04 -0.70 -0.61 117.51 121.37 3ifk h ILE 85 Ca 0.13 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.52 3ifk h ILE 85 Cb 0.09 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 3ifk h ILE 85 CO -0.13 0.23 0.36 -0.09 0.00 0.00 0.00 178.15 178.53 3ifk h ARG 86 N 0.95 0.65 -0.52 2.37 2.43 0.97 0.39 114.38 121.62 3ifk h ARG 86 Ca 0.24 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.46 3ifk h ARG 86 Cb 0.03 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.37 3ifk h ARG 86 CO -0.04 0.43 0.11 0.93 -1.51 0.00 0.00 179.97 179.89 3ifk h GLU 87 N 0.67 0.24 -0.12 0.20 5.08 0.53 -0.93 114.58 120.25 3ifk h GLU 87 Ca 0.29 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.50 3ifk h GLU 87 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3ifk h GLU 87 CO -0.18 0.16 -0.53 0.00 -1.00 0.00 0.00 179.01 177.46 3ifk h ALA 88 N 1.40 0.87 0.00 3.43 0.00 -0.20 -3.51 119.26 121.25 3ifk h ALA 88 Ca 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ifk h ALA 88 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ifk h ALA 88 CO -0.33 0.68 0.00 1.19 0.00 0.00 0.00 179.25 180.79