#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl s ILE 3 N 0.00 4.95 0.61 4.25 1.09 -1.26 -5.04 121.20 125.81 1ibl s ILE 3 Ca 0.00 1.27 -0.15 0.00 -1.10 0.00 0.00 60.65 60.67 1ibl s ILE 3 Cb 0.00 -3.99 -0.03 0.00 -1.06 0.00 0.00 42.46 37.38 1ibl s ILE 3 CO 0.00 0.03 1.05 0.42 -0.10 0.00 0.00 174.94 176.34 1ibl s THR 4 N 2.42 3.93 0.09 2.92 -4.23 -1.26 -4.86 115.64 114.64 1ibl s THR 4 Ca 0.29 0.84 -0.31 0.00 -1.18 0.00 0.00 61.69 61.33 1ibl s THR 4 Cb -0.16 -3.42 -0.13 0.00 1.34 0.00 0.00 72.50 70.14 1ibl s THR 4 CO 0.09 -0.61 1.49 0.11 -0.54 0.00 0.00 174.62 175.17 1ibl h LYS 5 N 0.20 -0.65 -0.56 3.99 1.57 -1.99 -0.76 116.57 118.36 1ibl h LYS 5 Ca -0.46 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.44 1ibl h LYS 5 Cb 1.21 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 33.57 1ibl h LYS 5 CO 0.58 -0.43 -0.50 1.05 -0.57 0.00 0.00 179.45 179.57 1ibl h GLU 6 N -0.67 -0.26 -0.83 3.15 9.09 -1.98 0.15 114.58 123.23 1ibl h GLU 6 Ca -0.01 0.02 0.12 0.00 0.05 0.00 0.00 59.36 59.54 1ibl h GLU 6 Cb 0.68 0.06 -0.13 0.00 -1.65 0.00 0.00 28.75 27.71 1ibl h GLU 6 CO -0.26 -0.17 -0.35 0.39 0.05 0.00 0.00 179.01 178.66 1ibl n GLU 7 N -5.38 -0.23 0.25 1.06 -0.58 -0.72 0.16 120.64 115.21 1ibl n GLU 7 Ca -0.00 1.27 -0.16 0.00 -0.42 0.00 0.00 57.16 57.85 1ibl n GLU 7 Cb 0.34 -1.88 -0.08 0.00 -0.57 0.00 0.00 31.44 29.25 1ibl n GLU 7 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1ibl h LYS 8 N 0.00 -0.56 -0.27 3.49 3.64 0.62 -3.09 116.57 120.40 1ibl h LYS 8 Ca 0.26 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.74 1ibl h LYS 8 Cb 0.46 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.33 1ibl h LYS 8 CO -0.81 -0.37 -0.37 1.96 -2.27 0.00 0.00 179.45 177.58 1ibl h GLN 9 N -0.58 -0.35 -1.21 1.90 1.08 0.20 0.31 115.11 116.45 1ibl h GLN 9 Ca -0.06 0.02 0.35 0.00 -1.45 0.00 0.00 58.65 57.52 1ibl h GLN 9 Cb 0.45 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 1ibl h GLN 9 CO 0.09 -0.23 0.88 -0.22 -0.95 0.00 0.00 178.83 178.40 1ibl h LYS 10 N -0.36 0.00 0.08 1.46 1.63 -0.77 0.20 116.57 118.81 1ibl h LYS 10 Ca 0.12 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.80 1ibl h LYS 10 Cb 0.57 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1ibl h LYS 10 CO -0.47 0.00 -0.55 0.28 -3.45 0.00 0.00 179.45 175.26 1ibl h VAL 11 N 0.00 1.58 0.62 2.00 2.07 -0.36 -2.77 116.25 119.39 1ibl h VAL 11 Ca 0.58 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.66 1ibl h VAL 11 Cb 2.33 3.17 0.01 0.00 -1.52 0.00 0.00 31.29 35.28 1ibl h VAL 11 CO -0.01 0.67 -0.30 0.40 0.02 0.00 0.00 177.57 178.35 1ibl h ILE 12 N -0.52 0.39 -0.69 4.57 2.04 0.44 -2.41 117.51 121.33 1ibl h ILE 12 Ca -0.09 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1ibl h ILE 12 Cb 1.41 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 1ibl h ILE 12 CO 0.10 0.00 0.28 1.56 0.00 0.00 0.00 178.15 180.09 1ibl h GLN 13 N -0.84 0.43 -0.10 2.37 4.20 -1.42 0.56 115.11 120.30 1ibl h GLN 13 Ca -0.09 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.63 1ibl h GLN 13 Cb 0.64 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1ibl h GLN 13 CO 0.14 0.29 0.31 1.49 -0.67 0.00 0.00 178.83 180.39 1ibl h GLU 14 N 0.45 0.00 0.00 1.46 4.57 -1.14 -3.18 114.58 116.73 1ibl h GLU 14 Ca 0.36 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1ibl h GLU 14 Cb 0.50 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1ibl h GLU 14 CO -0.35 0.00 -1.03 1.19 -1.18 0.00 0.00 179.01 177.64 1ibl n PHE 15 N -3.18 0.00 -1.17 0.92 3.01 0.77 -5.05 117.46 112.75 1ibl n PHE 15 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.00 1ibl n PHE 15 Cb 0.39 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.78 1ibl n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ibl n ALA 16 N -2.17 -2.56 0.29 4.37 0.00 0.16 -4.70 120.51 115.89 1ibl n ALA 16 Ca -0.01 0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.90 1ibl n ALA 16 Cb 0.51 -1.35 0.15 0.00 0.00 0.00 0.00 19.45 18.76 1ibl n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibl n ARG 17 N 1.47 0.09 0.00 0.00 5.12 -1.26 -4.75 116.66 117.33 1ibl n ARG 17 Ca 0.17 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1ibl n ARG 17 Cb 0.04 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 1ibl n ARG 17 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 1ibl n PHE 18 N -1.27 0.00 -1.58 -1.55 1.16 -1.26 -5.04 117.46 107.92 1ibl n PHE 18 Ca 0.03 0.00 -0.54 0.00 -1.87 0.00 0.00 57.45 55.07 1ibl n PHE 18 Cb 0.05 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.85 1ibl n PHE 18 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1ibl n PRO 19 N -0.19 0.87 0.00 3.97 -0.02 -1.26 -0.41 135.00 137.96 1ibl n PRO 19 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1ibl n PRO 19 Cb 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1ibl n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibl n GLY 20 N 2.39 2.41 3.55 -1.23 0.00 -1.26 -4.97 105.19 106.07 1ibl n GLY 20 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1ibl n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibl s ASP 21 N -2.78 4.85 -0.15 1.61 3.68 0.45 -4.70 116.67 119.63 1ibl s ASP 21 Ca 0.00 0.62 0.05 0.00 2.13 0.00 0.00 52.55 55.34 1ibl s ASP 21 Cb 0.00 -2.52 -0.12 0.00 -1.45 0.00 0.00 42.92 38.83 1ibl s ASP 21 CO 0.00 -2.66 -0.08 0.35 0.13 0.00 0.00 175.17 172.90 1ibl n THR 22 N 7.63 0.91 -0.72 1.71 -2.24 -1.26 -4.24 114.28 116.07 1ibl n THR 22 Ca 0.29 -0.42 0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1ibl n THR 22 Cb 0.53 -0.94 0.33 0.00 -2.10 0.00 0.00 70.33 68.15 1ibl n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ibl n GLY 23 N 2.56 3.02 3.84 3.38 0.00 -1.26 -4.54 105.19 112.18 1ibl n GLY 23 Ca -0.26 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1ibl n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ibl s SER 24 N -0.73 5.85 0.56 1.61 1.04 -1.26 -4.86 113.70 115.90 1ibl s SER 24 Ca 0.49 1.55 0.25 0.00 0.48 0.00 0.00 55.95 58.72 1ibl s SER 24 Cb 0.38 -2.49 1.61 0.00 0.10 0.00 0.00 66.02 65.62 1ibl s SER 24 CO 0.13 -1.12 2.20 0.74 0.98 0.00 0.00 173.24 176.17 1ibl h THR 25 N -0.33 0.68 0.07 2.02 2.02 -1.99 -1.11 112.91 114.27 1ibl h THR 25 Ca -0.44 -0.09 -0.16 0.00 0.77 0.00 0.00 66.41 66.49 1ibl h THR 25 Cb 1.20 1.05 0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1ibl h THR 25 CO 0.59 0.02 -0.68 -0.33 0.37 0.00 0.00 175.52 175.50 1ibl h GLU 26 N 0.00 0.33 -0.39 6.66 3.07 -1.93 -1.99 114.58 120.34 1ibl h GLU 26 Ca -0.00 -0.45 0.06 0.00 -0.50 0.00 0.00 59.36 58.47 1ibl h GLU 26 Cb 0.05 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.06 1ibl h GLU 26 CO 0.00 1.16 0.06 0.28 -1.40 0.00 0.00 179.01 179.12 1ibl h VAL 27 N -0.28 0.78 0.49 3.13 2.07 -1.70 0.71 116.25 121.44 1ibl h VAL 27 Ca -0.10 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1ibl h VAL 27 Cb 1.46 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1ibl h VAL 27 CO 0.13 0.03 -0.31 1.56 0.02 0.00 0.00 177.57 179.00 1ibl h GLN 28 N 0.19 -0.73 -0.82 1.57 4.20 -1.27 0.72 115.11 118.97 1ibl h GLN 28 Ca 0.19 0.05 0.23 0.00 0.06 0.00 0.00 58.65 59.18 1ibl h GLN 28 Cb 0.23 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1ibl h GLN 28 CO -0.26 -0.48 0.58 0.28 -0.67 0.00 0.00 178.83 178.28 1ibl h VAL 29 N -0.75 0.61 0.54 -0.54 2.07 -1.09 0.18 116.25 117.27 1ibl h VAL 29 Ca -0.07 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1ibl h VAL 29 Cb 0.61 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1ibl h VAL 29 CO 0.06 0.01 -0.26 0.00 0.02 0.00 0.00 177.57 177.40 1ibl h ALA 30 N 1.60 -0.86 -0.20 1.67 0.00 0.16 -2.44 119.26 119.19 1ibl h ALA 30 Ca 0.39 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1ibl h ALA 30 Cb 1.48 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 1ibl h ALA 30 CO -0.03 -0.81 -0.37 -0.07 0.00 0.00 0.00 179.25 177.97 1ibl h LEU 31 N -0.98 -1.18 -0.62 0.00 4.07 0.22 -1.80 115.31 115.02 1ibl h LEU 31 Ca -0.07 0.17 0.13 0.00 0.08 0.00 0.00 57.88 58.19 1ibl h LEU 31 Cb 0.55 0.50 -0.11 0.00 1.08 0.00 0.00 40.66 42.68 1ibl h LEU 31 CO 0.12 -0.38 -0.09 -0.07 -1.08 0.00 0.00 178.44 176.94 1ibl h LEU 32 N -0.40 -0.45 -2.02 1.67 3.38 -0.81 0.47 115.31 117.14 1ibl h LEU 32 Ca 0.10 0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.38 1ibl h LEU 32 Cb 0.58 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1ibl h LEU 32 CO -0.42 -0.17 0.35 0.74 0.09 0.00 0.00 178.44 179.03 1ibl h THR 33 N 0.05 0.70 0.57 0.22 2.02 -0.82 0.26 112.91 115.90 1ibl h THR 33 Ca 0.31 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 1ibl h THR 33 Cb 0.50 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1ibl h THR 33 CO -0.60 0.00 -0.27 0.25 0.37 0.00 0.00 175.52 175.27 1ibl h LEU 34 N 0.00 -0.65 -0.53 2.58 6.46 0.37 -2.71 115.31 120.82 1ibl h LEU 34 Ca 0.22 -0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.03 1ibl h LEU 34 Cb 0.93 0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.96 1ibl h LEU 34 CO -0.00 -0.30 0.13 0.03 -0.62 0.00 0.00 178.44 177.67 1ibl h ARG 35 N -1.03 0.26 0.24 1.25 3.08 -0.99 -0.92 114.38 116.26 1ibl h ARG 35 Ca -0.08 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1ibl h ARG 35 Cb 0.65 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1ibl h ARG 35 CO 0.13 0.17 -0.45 0.82 -1.07 0.00 0.00 179.97 179.57 1ibl h ILE 36 N 0.27 0.11 -0.73 2.04 2.04 -1.00 0.64 117.51 120.88 1ibl h ILE 36 Ca 0.27 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.16 1ibl h ILE 36 Cb 0.36 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1ibl h ILE 36 CO -0.33 0.00 0.48 0.78 0.00 0.00 0.00 178.15 179.08 1ibl h ASN 37 N -0.77 0.78 -0.31 1.72 4.21 -1.29 0.25 115.58 120.17 1ibl h ASN 37 Ca -0.01 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 1ibl h ASN 37 Cb 0.74 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 1ibl h ASN 37 CO -0.19 0.54 -0.07 0.03 -1.29 0.00 0.00 177.43 176.46 1ibl h ARG 38 N 0.91 0.71 -0.18 0.81 2.47 -0.39 -2.63 114.38 116.08 1ibl h ARG 38 Ca 0.29 -0.21 -0.15 0.00 -1.26 0.00 0.00 59.98 58.65 1ibl h ARG 38 Cb 0.02 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1ibl h ARG 38 CO -0.08 0.77 -0.47 1.25 0.56 0.00 0.00 179.97 182.00 1ibl h LEU 39 N 0.65 0.72 -0.69 3.04 6.46 0.18 -3.08 115.31 122.59 1ibl h LEU 39 Ca 0.12 -0.58 0.06 0.00 -0.12 0.00 0.00 57.88 57.35 1ibl h LEU 39 Cb 0.51 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 1ibl h LEU 39 CO 0.03 1.17 0.40 0.28 -0.62 0.00 0.00 178.44 179.70 1ibl h SER 40 N 0.30 0.61 -0.45 1.25 0.02 -0.44 -0.92 113.55 113.92 1ibl h SER 40 Ca -0.01 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1ibl h SER 40 Cb 1.09 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1ibl h SER 40 CO 0.10 0.40 0.28 -0.08 -1.14 0.00 0.00 176.83 176.39 1ibl h GLU 41 N 0.74 0.56 -0.12 3.45 4.57 -1.50 -0.92 114.58 121.37 1ibl h GLU 41 Ca 0.31 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1ibl h GLU 41 Cb 0.16 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1ibl h GLU 41 CO -0.17 0.37 0.06 1.25 -1.18 0.00 0.00 179.01 179.34 1ibl h HIS 42 N 0.57 0.15 0.00 0.92 -0.00 -1.29 -2.27 115.15 113.24 1ibl h HIS 42 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1ibl h HIS 42 Cb -0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1ibl h HIS 42 CO -0.06 0.11 -0.36 1.28 -0.00 0.00 0.00 177.93 178.91 1ibl n LEU 43 N -4.50 0.55 0.07 0.26 4.77 -0.41 -2.11 117.00 115.62 1ibl n LEU 43 Ca -0.01 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 1ibl n LEU 43 Cb 0.09 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ibl n LEU 43 CO 0.35 -0.03 0.28 0.11 -1.33 0.00 0.00 177.39 176.76 1ibl h LYS 44 N 0.00 0.35 0.04 3.23 1.57 -0.66 -3.13 116.57 117.97 1ibl h LYS 44 Ca 0.00 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1ibl h LYS 44 Cb 0.64 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1ibl h LYS 44 CO 0.00 1.00 -0.02 0.28 -0.57 0.00 0.00 179.45 180.14 1ibl h VAL 45 N 0.22 0.00 -1.38 0.50 2.07 -1.57 -3.38 116.25 112.70 1ibl h VAL 45 Ca -0.05 -0.23 -0.72 0.00 0.82 0.00 0.00 66.70 66.52 1ibl h VAL 45 Cb 1.43 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.07 1ibl h VAL 45 CO 0.14 0.00 1.95 1.41 0.02 0.00 0.00 177.57 181.08 1ibl n HIS 46 N -2.79 4.34 0.31 1.57 8.25 -0.90 -4.74 115.22 121.26 1ibl n HIS 46 Ca -0.01 -3.06 0.21 0.00 -0.26 0.00 0.00 57.72 54.60 1ibl n HIS 46 Cb 0.02 -2.32 1.00 0.00 1.12 0.00 0.00 29.99 29.81 1ibl n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1ibl h LYS 47 N 6.86 0.00 -0.20 -0.41 1.57 -1.74 -2.36 116.57 120.28 1ibl h LYS 47 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1ibl h LYS 47 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1ibl h LYS 47 CO 1.46 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.97 1ibl n LYS 48 N -3.09 2.16 -2.78 3.15 5.02 -1.26 -4.74 118.16 116.62 1ibl n LYS 48 Ca -0.01 -1.72 -0.43 0.00 -2.02 0.00 0.00 58.31 54.12 1ibl n LYS 48 Cb 0.17 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 1ibl n LYS 48 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ibl s ASP 49 N -1.69 6.71 0.03 4.39 -1.08 -0.89 -4.83 116.67 119.33 1ibl s ASP 49 Ca 0.35 -2.13 -0.17 0.00 -0.52 0.00 0.00 52.55 50.07 1ibl s ASP 49 Cb 0.20 -2.47 -0.27 0.00 -1.46 0.00 0.00 42.92 38.92 1ibl s ASP 49 CO 0.30 -1.14 1.09 0.45 0.52 0.00 0.00 175.17 176.39 1ibl h HIS 50 N 8.57 0.87 -0.85 -5.34 3.86 -1.88 -3.10 115.15 117.29 1ibl h HIS 50 Ca 0.25 -0.53 0.18 0.00 -1.16 0.00 0.00 60.37 59.11 1ibl h HIS 50 Cb 0.97 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 29.30 1ibl h HIS 50 CO 1.23 1.37 0.56 0.45 0.86 0.00 0.00 177.93 182.40 1ibl h HIS 51 N 0.12 0.53 -0.25 2.45 3.86 -2.00 0.21 115.15 120.07 1ibl h HIS 51 Ca -0.15 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.00 1ibl h HIS 51 Cb 1.70 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 30.01 1ibl h HIS 51 CO 0.13 0.17 -0.17 0.77 0.86 0.00 0.00 177.93 179.69 1ibl h SER 52 N 0.42 0.58 0.09 2.45 0.02 -1.97 -2.89 113.55 112.25 1ibl h SER 52 Ca 0.43 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ibl h SER 52 Cb 1.03 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1ibl h SER 52 CO -0.15 0.89 -0.04 -0.74 -1.14 0.00 0.00 176.83 175.64 1ibl h HIS 53 N 0.27 0.00 -0.14 3.45 6.17 -0.59 0.52 115.15 124.83 1ibl h HIS 53 Ca 0.05 0.00 -0.14 0.00 0.71 0.00 0.00 60.37 60.99 1ibl h HIS 53 Cb 0.69 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 1ibl h HIS 53 CO 0.07 0.04 -0.49 -0.09 0.71 0.00 0.00 177.93 178.17 1ibl h ARG 54 N 0.00 0.38 -0.37 5.26 2.43 -0.87 -1.12 114.38 120.09 1ibl h ARG 54 Ca -0.00 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 58.88 1ibl h ARG 54 Cb 0.10 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1ibl h ARG 54 CO 0.01 0.79 -0.06 0.78 -1.51 0.00 0.00 179.97 179.97 1ibl h GLY 55 N 1.22 0.66 0.80 2.80 0.00 0.13 -2.90 103.07 105.79 1ibl h GLY 55 Ca 0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1ibl h GLY 55 CO 0.08 0.41 -0.38 -2.00 0.00 0.00 0.00 176.54 174.66 1ibl h LEU 56 N 0.57 -0.90 -0.86 3.11 5.85 -0.15 -2.92 115.31 120.02 1ibl h LEU 56 Ca 0.11 0.03 0.34 0.00 0.84 0.00 0.00 57.88 59.20 1ibl h LEU 56 Cb 0.46 0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.57 1ibl h LEU 56 CO 0.02 -0.53 0.41 0.18 -0.34 0.00 0.00 178.44 178.18 1ibl n LEU 57 N -5.48 0.25 0.21 2.25 4.32 -0.51 -0.39 117.00 117.66 1ibl n LEU 57 Ca -0.13 1.43 -0.14 0.00 -0.02 0.00 0.00 56.01 57.15 1ibl n LEU 57 Cb 0.42 -0.68 -0.08 0.00 -1.62 0.00 0.00 43.42 41.47 1ibl n LEU 57 CO 0.32 -1.58 0.51 0.24 -1.22 0.00 0.00 177.39 175.66 1ibl h MET 58 N 0.00 -0.54 -0.51 3.23 2.86 -1.39 -2.20 114.93 116.39 1ibl h MET 58 Ca 0.70 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 58.48 1ibl h MET 58 Cb 1.82 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 33.51 1ibl h MET 58 CO -0.68 -0.23 -0.11 0.52 1.06 0.00 0.00 176.91 177.48 1ibl h MET 59 N -0.87 0.02 -0.36 1.72 2.86 -0.53 0.31 114.93 118.07 1ibl h MET 59 Ca -0.06 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1ibl h MET 59 Cb 0.55 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 1ibl h MET 59 CO 0.09 0.01 -0.01 0.28 1.06 0.00 0.00 176.91 178.34 1ibl h VAL 60 N 0.02 0.72 -0.25 -2.22 2.07 -1.38 0.29 116.25 115.50 1ibl h VAL 60 Ca 0.25 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 1ibl h VAL 60 Cb 0.38 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1ibl h VAL 60 CO -0.51 0.02 0.15 1.23 0.02 0.00 0.00 177.57 178.48 1ibl h GLY 61 N 0.09 0.36 1.43 2.17 0.00 -0.39 -0.88 103.07 105.85 1ibl h GLY 61 Ca 0.18 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.44 1ibl h GLY 61 CO -0.31 0.14 0.22 -1.61 0.00 0.00 0.00 176.54 174.98 1ibl h GLN 62 N 0.32 0.08 0.00 4.80 5.75 0.34 -1.85 115.11 124.55 1ibl h GLN 62 Ca 0.09 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1ibl h GLN 62 Cb 0.01 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1ibl h GLN 62 CO -0.02 0.05 0.00 -2.13 -2.65 0.00 0.00 178.83 174.08 1ibl n ARG 63 N -4.46 0.00 -0.31 1.69 0.63 0.96 -2.58 116.66 112.58 1ibl n ARG 63 Ca 0.04 0.18 0.28 0.00 -0.92 0.00 0.00 57.85 57.43 1ibl n ARG 63 Cb 0.33 -0.87 0.48 0.00 0.45 0.00 0.00 32.46 32.85 1ibl n ARG 63 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1ibl n ARG 64 N -1.05 -0.03 -0.09 -0.14 1.85 -0.62 0.30 116.66 116.88 1ibl n ARG 64 Ca 0.00 0.96 -0.09 0.00 -1.00 0.00 0.00 57.85 57.71 1ibl n ARG 64 Cb 0.00 -1.83 -0.02 0.00 -1.05 0.00 0.00 32.46 29.56 1ibl n ARG 64 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1ibl h ARG 65 N 0.00 0.42 0.80 2.89 2.43 -1.40 0.44 114.38 119.95 1ibl h ARG 65 Ca 0.64 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.72 1ibl h ARG 65 Cb 1.95 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 31.43 1ibl h ARG 65 CO -0.42 0.37 -0.38 -0.07 -1.51 0.00 0.00 179.97 177.96 1ibl h LEU 66 N 0.36 -0.91 -0.93 3.80 3.38 0.50 -1.94 115.31 119.56 1ibl h LEU 66 Ca 0.10 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.37 1ibl h LEU 66 Cb 0.08 0.24 -0.16 0.00 0.09 0.00 0.00 40.66 40.90 1ibl h LEU 66 CO -0.02 -0.56 0.23 -0.07 0.09 0.00 0.00 178.44 178.11 1ibl h LEU 67 N -1.25 -0.08 -0.20 1.67 3.38 -1.12 0.61 115.31 118.31 1ibl h LEU 67 Ca -0.11 0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1ibl h LEU 67 Cb 0.83 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1ibl h LEU 67 CO 0.18 -0.26 0.01 -0.09 0.09 0.00 0.00 178.44 178.37 1ibl h ARG 68 N 0.12 0.07 -0.68 1.13 2.43 0.10 -0.47 114.38 117.08 1ibl h ARG 68 Ca 0.62 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.87 1ibl h ARG 68 Cb 1.34 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 1ibl h ARG 68 CO -0.75 0.05 0.32 -0.92 -1.51 0.00 0.00 179.97 177.16 1ibl h TYR 69 N 0.08 0.58 0.82 2.20 3.20 0.96 -1.47 116.97 123.34 1ibl h TYR 69 Ca 0.10 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1ibl h TYR 69 Cb 0.11 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.23 1ibl h TYR 69 CO -0.17 0.20 -0.42 1.25 -1.64 0.00 0.00 178.16 177.38 1ibl h LEU 70 N 0.55 -1.01 -1.93 2.82 6.46 -0.31 -1.49 115.31 120.40 1ibl h LEU 70 Ca 0.34 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 58.18 1ibl h LEU 70 Cb 0.37 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1ibl h LEU 70 CO -0.28 -0.70 0.39 -0.61 -0.62 0.00 0.00 178.44 176.63 1ibl h GLN 71 N -1.14 0.00 -0.01 1.25 4.15 -0.79 0.92 115.11 119.50 1ibl h GLN 71 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1ibl h GLN 71 Cb 0.88 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1ibl h GLN 71 CO 0.17 0.00 -0.15 -2.13 -1.93 0.00 0.00 178.83 174.79 1ibl n ARG 72 N -3.12 1.22 0.05 1.69 0.63 -0.58 -4.18 116.66 112.38 1ibl n ARG 72 Ca 0.01 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 56.21 1ibl n ARG 72 Cb 0.47 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.90 1ibl n ARG 72 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ibl n GLU 73 N -0.25 0.00 -3.37 -0.14 -0.58 0.31 -4.95 120.64 111.66 1ibl n GLU 73 Ca 0.15 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.63 1ibl n GLU 73 Cb 0.36 -0.47 -0.08 0.00 -0.57 0.00 0.00 31.44 30.68 1ibl n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ibl n ASP 74 N -3.48 2.03 -0.13 1.62 -0.08 -0.33 -4.96 116.55 111.22 1ibl n ASP 74 Ca 0.00 -3.06 0.24 0.00 -1.51 0.00 0.00 54.79 50.45 1ibl n ASP 74 Cb 0.02 -0.66 0.36 0.00 2.34 0.00 0.00 41.12 43.19 1ibl n ASP 74 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1ibl n PRO 75 N 1.28 0.02 0.12 -0.67 -0.04 -1.25 -0.11 135.00 134.34 1ibl n PRO 75 Ca 0.26 1.00 -0.05 0.00 -0.04 0.00 0.00 63.50 64.67 1ibl n PRO 75 Cb 0.46 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 1ibl n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ibl h GLU 76 N 0.00 -0.34 -0.94 0.54 4.57 -1.93 0.25 114.58 116.74 1ibl h GLU 76 Ca 0.42 0.02 0.27 0.00 -1.18 0.00 0.00 59.36 58.89 1ibl h GLU 76 Cb 2.78 0.08 -0.17 0.00 -0.16 0.00 0.00 28.75 31.28 1ibl h GLU 76 CO -0.00 -0.23 0.15 0.00 -1.18 0.00 0.00 179.01 177.75 1ibl h ARG 77 N -0.78 0.08 0.05 1.92 3.08 -0.91 0.50 114.38 118.32 1ibl h ARG 77 Ca -0.04 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ibl h ARG 77 Cb 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ibl h ARG 77 CO 0.06 0.05 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.06 1ibl h TYR 78 N 0.08 -0.07 -0.74 3.04 3.20 -1.28 1.40 116.97 122.60 1ibl h TYR 78 Ca 0.60 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.68 1ibl h TYR 78 Cb 1.28 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.55 1ibl h TYR 78 CO -0.36 -0.04 0.87 0.00 -1.64 0.00 0.00 178.16 176.98 1ibl h ARG 79 N -0.07 0.00 0.00 1.82 3.08 0.16 0.58 114.38 119.95 1ibl h ARG 79 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 1ibl h ARG 79 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ibl h ARG 79 CO 0.01 0.00 -0.86 0.00 -1.07 0.00 0.00 179.97 178.05 1ibl h ALA 80 N 0.96 0.18 -0.98 0.04 0.00 0.43 -3.24 119.26 116.64 1ibl h ALA 80 Ca 0.35 -0.96 0.25 0.00 0.00 0.00 0.00 54.91 54.55 1ibl h ALA 80 Cb 2.08 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 20.26 1ibl h ALA 80 CO -0.00 0.49 0.55 1.25 0.00 0.00 0.00 179.25 181.54 1ibl h LEU 81 N -1.00 0.58 0.25 0.00 6.46 0.42 -0.20 115.31 121.82 1ibl h LEU 81 Ca -0.23 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1ibl h LEU 81 Cb 1.15 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1ibl h LEU 81 CO -0.14 0.04 -0.12 0.40 -0.62 0.00 0.00 178.44 178.01 1ibl h ILE 82 N 0.51 0.00 -0.97 4.05 2.04 -1.53 -1.93 117.51 119.67 1ibl h ILE 82 Ca 0.64 -0.10 0.33 0.00 1.00 0.00 0.00 64.86 66.74 1ibl h ILE 82 Cb 1.27 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.18 1ibl h ILE 82 CO -0.51 0.00 0.38 -0.08 0.00 0.00 0.00 178.15 177.94 1ibl h GLU 83 N -0.43 0.12 -0.43 2.37 4.81 -1.47 0.89 114.58 120.46 1ibl h GLU 83 Ca -0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1ibl h GLU 83 Cb 0.25 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1ibl h GLU 83 CO 0.06 0.08 0.18 -0.22 -0.73 0.00 0.00 179.01 178.38 1ibl h LYS 84 N 0.13 0.63 0.00 1.92 3.64 -1.03 -3.38 116.57 118.47 1ibl h LYS 84 Ca 0.71 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1ibl h LYS 84 Cb 1.67 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1ibl h LYS 84 CO -0.74 0.57 0.00 1.28 -2.27 0.00 0.00 179.45 178.29 1ibl n LEU 85 N -4.64 0.00 0.00 5.20 4.77 0.29 -5.03 117.00 117.59 1ibl n LEU 85 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ibl n LEU 85 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ibl n LEU 85 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1ibl n GLY 86 N 3.14 0.00 3.43 -0.72 0.00 0.11 -5.06 105.19 106.10 1ibl n GLY 86 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ibl n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ibl n ILE 87 N 0.00 0.00 -1.05 -0.61 5.41 -1.26 -2.46 119.36 119.40 1ibl n ILE 87 Ca 0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 62.75 63.54 1ibl n ILE 87 Cb 0.00 -0.70 -0.01 0.00 -0.71 0.00 0.00 39.64 38.23 1ibl n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ibl n ARG 88 N -2.35 -1.45 0.00 0.38 5.12 -1.26 -4.85 116.66 112.26 1ibl n ARG 88 Ca 0.06 0.45 0.15 0.00 -1.93 0.00 0.00 57.85 56.58 1ibl n ARG 88 Cb 0.55 -4.57 0.76 0.00 -1.16 0.00 0.00 32.46 28.04 1ibl n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11