#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm s ILE 3 N 0.00 2.55 0.53 4.25 1.01 -1.26 -5.10 121.20 123.19 1ibm s ILE 3 Ca 0.00 -2.17 -0.21 0.00 0.00 0.00 0.00 60.65 58.28 1ibm s ILE 3 Cb 0.00 -2.79 -0.07 0.00 0.01 0.00 0.00 42.46 39.61 1ibm s ILE 3 CO 0.00 -0.55 0.99 0.35 0.00 0.00 0.00 174.94 175.74 1ibm n THR 4 N 4.37 3.17 -0.16 2.92 -2.24 -1.26 -4.70 114.28 116.38 1ibm n THR 4 Ca 0.00 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.25 1ibm n THR 4 Cb 0.42 -1.18 0.06 0.00 -2.10 0.00 0.00 70.33 67.53 1ibm n THR 4 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ibm h LYS 5 N 0.94 0.29 0.16 -0.78 1.57 -1.98 0.65 116.57 117.41 1ibm h LYS 5 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1ibm h LYS 5 Cb 1.35 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 1ibm h LYS 5 CO 0.53 0.19 -0.34 0.93 -0.57 0.00 0.00 179.45 180.19 1ibm h GLU 6 N 0.30 -0.53 -0.97 3.15 4.39 -1.98 0.79 114.58 119.73 1ibm h GLU 6 Ca 0.24 0.04 0.23 0.00 0.34 0.00 0.00 59.36 60.21 1ibm h GLU 6 Cb 0.29 0.12 -0.18 0.00 -0.10 0.00 0.00 28.75 28.88 1ibm h GLU 6 CO -0.28 -0.35 -0.10 0.39 -1.16 0.00 0.00 179.01 177.51 1ibm n GLU 7 N -4.42 -0.08 0.00 2.33 -0.58 -0.37 0.97 120.64 118.49 1ibm n GLU 7 Ca -0.06 1.48 0.00 0.00 -0.42 0.00 0.00 57.16 58.16 1ibm n GLU 7 Cb 0.28 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 1ibm n GLU 7 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ibm n LYS 8 N -5.51 0.00 -0.35 3.49 4.81 0.21 -3.04 118.16 117.78 1ibm n LYS 8 Ca 0.19 0.49 0.16 0.00 -0.87 0.00 0.00 58.31 58.29 1ibm n LYS 8 Cb 0.63 -1.35 0.36 0.00 0.02 0.00 0.00 35.03 34.69 1ibm n LYS 8 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1ibm h GLN 9 N 0.00 0.61 -0.42 1.64 4.20 0.12 0.82 115.11 122.09 1ibm h GLN 9 Ca 0.00 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.80 1ibm h GLN 9 Cb 0.00 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1ibm h GLN 9 CO 0.00 0.41 0.31 1.57 -0.67 0.00 0.00 178.83 180.44 1ibm h LYS 10 N 0.63 0.00 0.22 1.46 5.09 0.54 0.20 116.57 124.71 1ibm h LYS 10 Ca 0.62 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 61.03 1ibm h LYS 10 Cb 1.12 0.00 0.03 0.00 0.10 0.00 0.00 32.23 33.48 1ibm h LYS 10 CO -0.45 0.00 -1.51 0.28 -2.09 0.00 0.00 179.45 175.68 1ibm h VAL 11 N 0.00 1.24 -0.13 0.07 2.07 0.71 -2.59 116.25 117.62 1ibm h VAL 11 Ca 0.20 -2.72 0.02 0.00 0.82 0.00 0.00 66.70 65.01 1ibm h VAL 11 Cb 0.81 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 1ibm h VAL 11 CO -0.00 0.83 0.03 0.40 0.02 0.00 0.00 177.57 178.85 1ibm h ILE 12 N 0.13 0.95 -0.21 4.57 2.04 0.32 -1.84 117.51 123.47 1ibm h ILE 12 Ca -0.26 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1ibm h ILE 12 Cb 2.13 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 1ibm h ILE 12 CO 0.24 0.02 0.04 1.56 0.00 0.00 0.00 178.15 180.01 1ibm h GLN 13 N 0.09 0.12 0.00 2.37 4.20 -0.87 -0.59 115.11 120.43 1ibm h GLN 13 Ca 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ibm h GLN 13 Cb 0.05 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1ibm h GLN 13 CO -0.07 0.08 0.28 -1.91 -0.67 0.00 0.00 178.83 176.53 1ibm n GLU 14 N -5.09 0.09 0.00 1.46 4.07 -0.74 -3.23 120.64 117.20 1ibm n GLU 14 Ca -0.02 0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1ibm n GLU 14 Cb 0.09 -2.05 0.00 0.00 -0.06 0.00 0.00 31.44 29.42 1ibm n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1ibm n PHE 15 N -2.01 0.00 -0.78 4.31 3.01 -0.54 -5.07 117.46 116.39 1ibm n PHE 15 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 1ibm n PHE 15 Cb 0.29 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 1ibm n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ibm n ALA 16 N -1.80 -2.11 -0.25 4.37 0.00 -0.34 -4.70 120.51 115.69 1ibm n ALA 16 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.66 1ibm n ALA 16 Cb 0.40 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.99 1ibm n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibm h ARG 17 N 1.12 1.02 -3.71 0.00 2.47 -1.92 -3.45 114.38 109.90 1ibm h ARG 17 Ca -0.22 -0.17 -0.08 0.00 -1.26 0.00 0.00 59.98 58.25 1ibm h ARG 17 Cb 0.77 -0.17 -0.13 0.00 -1.65 0.00 0.00 29.97 28.79 1ibm h ARG 17 CO 0.33 0.83 -0.26 -0.59 0.56 0.00 0.00 179.97 180.84 1ibm s PHE 18 N -5.60 0.14 -0.30 3.04 -0.12 -1.26 -5.08 117.98 108.79 1ibm s PHE 18 Ca -0.13 -0.52 -0.43 0.00 -0.05 0.00 0.00 56.93 55.80 1ibm s PHE 18 Cb 0.14 0.04 -0.19 0.00 -0.63 0.00 0.00 43.02 42.38 1ibm s PHE 18 CO 0.81 -0.66 1.50 -2.30 -0.05 0.00 0.00 175.22 174.51 1ibm n PRO 19 N -0.17 0.32 -0.89 1.99 -0.02 -1.26 -1.47 135.00 133.49 1ibm n PRO 19 Ca -0.12 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1ibm n PRO 19 Cb 0.63 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1ibm n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibm n GLY 20 N 3.39 0.54 3.54 -1.23 0.00 -1.26 -5.03 105.19 105.14 1ibm n GLY 20 Ca 0.27 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1ibm n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibm s ASP 21 N -2.79 6.42 -0.24 1.61 3.68 -0.54 -4.88 116.67 119.92 1ibm s ASP 21 Ca 0.00 -0.11 -0.11 0.00 2.13 0.00 0.00 52.55 54.46 1ibm s ASP 21 Cb 0.00 -2.41 -0.11 0.00 -1.45 0.00 0.00 42.92 38.96 1ibm s ASP 21 CO 0.00 -0.99 -0.31 0.35 0.13 0.00 0.00 175.17 174.35 1ibm n THR 22 N 6.21 1.33 0.49 1.71 -2.24 -1.26 -4.45 114.28 116.07 1ibm n THR 22 Ca 0.03 -0.35 0.07 0.00 -2.27 0.00 0.00 64.05 61.53 1ibm n THR 22 Cb 0.48 -1.80 0.21 0.00 -2.10 0.00 0.00 70.33 67.12 1ibm n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ibm n GLY 23 N 1.53 1.23 3.71 3.38 0.00 -1.26 -4.52 105.19 109.26 1ibm n GLY 23 Ca -0.47 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1ibm n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ibm s SER 24 N -0.96 3.93 0.19 1.61 0.01 -1.26 -4.77 113.70 112.44 1ibm s SER 24 Ca 0.31 2.39 -0.15 0.00 1.31 0.00 0.00 55.95 59.81 1ibm s SER 24 Cb 0.17 -2.59 0.17 0.00 0.21 0.00 0.00 66.02 63.98 1ibm s SER 24 CO 0.20 -2.44 1.66 0.74 0.41 0.00 0.00 173.24 173.80 1ibm h THR 25 N -0.52 0.52 0.48 1.44 2.02 -2.00 -2.11 112.91 112.75 1ibm h THR 25 Ca -0.47 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1ibm h THR 25 Cb 1.30 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1ibm h THR 25 CO 0.48 0.01 -0.42 -0.33 0.37 0.00 0.00 175.52 175.63 1ibm h GLU 26 N 0.03 -0.86 -0.80 6.66 3.07 -1.94 -1.14 114.58 119.60 1ibm h GLU 26 Ca 0.25 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.27 1ibm h GLU 26 Cb 0.38 0.20 -0.12 0.00 -0.84 0.00 0.00 28.75 28.36 1ibm h GLU 26 CO -0.50 -0.57 -0.47 0.28 -1.40 0.00 0.00 179.01 176.35 1ibm h VAL 27 N -0.89 0.04 0.03 3.13 2.07 -1.76 0.71 116.25 119.57 1ibm h VAL 27 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1ibm h VAL 27 Cb 0.77 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1ibm h VAL 27 CO -0.03 0.00 -0.25 1.56 0.02 0.00 0.00 177.57 178.86 1ibm h GLN 28 N -0.11 -0.33 -1.09 1.57 4.20 -1.11 0.11 115.11 118.35 1ibm h GLN 28 Ca 0.22 0.02 0.32 0.00 0.06 0.00 0.00 58.65 59.27 1ibm h GLN 28 Cb 0.53 0.07 -0.12 0.00 0.30 0.00 0.00 27.48 28.26 1ibm h GLN 28 CO -0.84 -0.22 0.67 0.28 -0.67 0.00 0.00 178.83 178.05 1ibm h VAL 29 N -0.34 0.36 0.60 -0.54 2.07 0.19 0.11 116.25 118.70 1ibm h VAL 29 Ca 0.00 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1ibm h VAL 29 Cb 0.35 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1ibm h VAL 29 CO -0.15 0.06 -0.37 0.00 0.02 0.00 0.00 177.57 177.12 1ibm h ALA 30 N 1.71 -1.18 -0.65 1.67 0.00 0.26 -1.92 119.26 119.15 1ibm h ALA 30 Ca 0.70 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.56 1ibm h ALA 30 Cb 1.78 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 19.94 1ibm h ALA 30 CO -0.45 -1.15 -0.09 -0.07 0.00 0.00 0.00 179.25 177.49 1ibm h LEU 31 N -0.91 -0.47 -0.11 0.00 3.38 0.15 -1.79 115.31 115.55 1ibm h LEU 31 Ca -0.08 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1ibm h LEU 31 Cb 0.73 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1ibm h LEU 31 CO 0.08 -0.18 -0.09 -0.07 0.09 0.00 0.00 178.44 178.26 1ibm h LEU 32 N 0.04 -0.28 -2.08 1.67 3.38 -1.14 0.38 115.31 117.28 1ibm h LEU 32 Ca 0.33 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.46 1ibm h LEU 32 Cb 0.53 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1ibm h LEU 32 CO -0.63 -0.12 0.33 0.74 0.09 0.00 0.00 178.44 178.85 1ibm h THR 33 N -0.11 0.51 0.27 0.22 2.02 -0.52 1.41 112.91 116.72 1ibm h THR 33 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1ibm h THR 33 Cb 0.21 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ibm h THR 33 CO -0.17 0.00 -0.13 0.25 0.37 0.00 0.00 175.52 175.84 1ibm h LEU 34 N 0.00 -0.31 -1.17 2.58 6.46 0.21 -1.32 115.31 121.77 1ibm h LEU 34 Ca 0.16 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1ibm h LEU 34 Cb 0.83 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.80 1ibm h LEU 34 CO -0.00 0.16 0.51 0.03 -0.62 0.00 0.00 178.44 178.52 1ibm h ARG 35 N -1.08 1.07 0.83 1.25 3.08 0.29 -0.91 114.38 118.91 1ibm h ARG 35 Ca -0.04 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1ibm h ARG 35 Cb 0.33 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1ibm h ARG 35 CO 0.06 0.73 -0.40 0.82 -1.07 0.00 0.00 179.97 180.11 1ibm h ILE 36 N 1.10 0.14 -0.94 2.04 2.04 0.18 -2.20 117.51 119.86 1ibm h ILE 36 Ca 0.29 -0.08 0.18 0.00 1.00 0.00 0.00 64.86 66.26 1ibm h ILE 36 Cb -0.09 0.15 -0.11 0.00 -0.74 0.00 0.00 36.82 36.03 1ibm h ILE 36 CO -0.06 0.01 0.53 0.78 0.00 0.00 0.00 178.15 179.41 1ibm h ASN 37 N -1.18 0.65 0.60 1.72 -0.26 -0.87 1.82 115.58 118.05 1ibm h ASN 37 Ca -0.11 0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1ibm h ASN 37 Cb 0.86 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 1ibm h ASN 37 CO 0.19 0.22 -0.34 0.03 -1.06 0.00 0.00 177.43 176.46 1ibm h ARG 38 N 0.67 -0.85 -0.67 0.81 2.47 -1.05 -2.08 114.38 113.68 1ibm h ARG 38 Ca 0.54 0.06 0.03 0.00 -1.26 0.00 0.00 59.98 59.35 1ibm h ARG 38 Cb 0.85 0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 29.32 1ibm h ARG 38 CO -0.40 -0.56 0.44 1.25 0.56 0.00 0.00 179.97 181.26 1ibm h LEU 39 N -0.88 0.70 -1.47 3.04 6.46 -0.71 0.40 115.31 122.84 1ibm h LEU 39 Ca -0.08 -0.01 0.27 0.00 -0.12 0.00 0.00 57.88 57.94 1ibm h LEU 39 Cb 0.69 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.38 1ibm h LEU 39 CO 0.10 0.48 0.68 0.28 -0.62 0.00 0.00 178.44 179.36 1ibm h SER 40 N 0.81 0.38 0.01 1.25 0.02 0.30 -1.01 113.55 115.32 1ibm h SER 40 Ca 0.26 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1ibm h SER 40 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1ibm h SER 40 CO -0.07 0.08 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.62 1ibm h GLU 41 N 0.34 -0.01 -1.47 3.45 4.57 0.44 -3.19 114.58 118.72 1ibm h GLU 41 Ca 0.57 0.00 0.45 0.00 -1.18 0.00 0.00 59.36 59.20 1ibm h GLU 41 Cb 1.55 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 30.05 1ibm h GLU 41 CO -0.24 0.77 1.00 1.25 -1.18 0.00 0.00 179.01 180.61 1ibm h HIS 42 N -0.95 0.30 0.00 0.92 -0.00 0.01 1.25 115.15 116.68 1ibm h HIS 42 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1ibm h HIS 42 Cb 0.79 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1ibm h HIS 42 CO 0.21 -0.09 -0.83 1.28 -0.00 0.00 0.00 177.93 178.50 1ibm n LEU 43 N -4.39 0.70 -0.25 0.26 4.77 -0.81 -2.44 117.00 114.84 1ibm n LEU 43 Ca 0.37 0.18 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1ibm n LEU 43 Cb 1.53 -0.13 0.42 0.00 -2.33 0.00 0.00 43.42 42.91 1ibm n LEU 43 CO 0.31 -0.06 1.22 0.11 -1.33 0.00 0.00 177.39 177.64 1ibm h LYS 44 N 0.00 0.57 0.00 3.23 1.79 0.16 -3.21 116.57 119.12 1ibm h LYS 44 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1ibm h LYS 44 Cb 0.80 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1ibm h LYS 44 CO 0.00 0.38 0.00 0.28 -1.08 0.00 0.00 179.45 179.03 1ibm n VAL 45 N -4.55 0.00 -1.37 0.50 0.31 -1.21 -4.66 118.33 107.35 1ibm n VAL 45 Ca 0.18 0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 64.47 1ibm n VAL 45 Cb 0.54 -1.01 -0.09 0.00 -0.91 0.00 0.00 33.84 32.36 1ibm n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ibm n HIS 46 N -1.63 1.39 1.26 3.52 8.25 -1.02 -4.68 115.22 122.32 1ibm n HIS 46 Ca 0.00 -0.93 0.12 0.00 -0.26 0.00 0.00 57.72 56.64 1ibm n HIS 46 Cb 0.00 -2.00 0.64 0.00 1.12 0.00 0.00 29.99 29.75 1ibm n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ibm n LYS 47 N 7.91 0.50 -0.06 -0.41 5.02 -1.22 -3.05 118.16 126.85 1ibm n LYS 47 Ca 0.45 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.61 1ibm n LYS 47 Cb 0.44 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.82 1ibm n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ibm n LYS 48 N -1.18 0.69 -0.53 1.97 5.02 -1.26 -4.73 118.16 118.14 1ibm n LYS 48 Ca 0.14 0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 56.30 1ibm n LYS 48 Cb 0.15 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 1ibm n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ibm n ASP 49 N -3.26 0.55 0.39 4.39 2.03 -1.17 -4.66 116.55 114.82 1ibm n ASP 49 Ca -0.36 -2.08 -0.18 0.00 0.52 0.00 0.00 54.79 52.70 1ibm n ASP 49 Cb 1.04 -0.41 -0.09 0.00 -0.72 0.00 0.00 41.12 40.95 1ibm n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1ibm h HIS 50 N 9.20 -0.91 -0.69 -0.67 3.86 -1.87 -3.01 115.15 121.07 1ibm h HIS 50 Ca 0.19 -0.02 0.24 0.00 -1.16 0.00 0.00 60.37 59.61 1ibm h HIS 50 Cb 0.58 0.30 -0.13 0.00 1.06 0.00 0.00 27.41 29.23 1ibm h HIS 50 CO 1.09 -0.55 0.19 0.72 0.86 0.00 0.00 177.93 180.24 1ibm n HIS 51 N -5.48 0.62 -0.09 2.45 8.25 -1.26 0.32 115.22 120.02 1ibm n HIS 51 Ca -0.14 0.82 -0.09 0.00 -0.26 0.00 0.00 57.72 58.06 1ibm n HIS 51 Cb 0.40 -1.13 0.06 0.00 1.12 0.00 0.00 29.99 30.44 1ibm n HIS 51 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1ibm h SER 52 N 0.00 0.83 -0.53 0.41 0.02 -1.92 -3.09 113.55 109.27 1ibm h SER 52 Ca 0.50 -0.32 0.10 0.00 -0.84 0.00 0.00 61.79 61.23 1ibm h SER 52 Cb 1.20 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 1ibm h SER 52 CO -0.59 1.05 0.36 -0.74 -1.14 0.00 0.00 176.83 175.77 1ibm h HIS 53 N 0.69 0.31 -0.03 3.45 6.17 0.51 -1.05 115.15 125.21 1ibm h HIS 53 Ca 0.08 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 1ibm h HIS 53 Cb 0.80 -0.10 -0.00 0.00 2.52 0.00 0.00 27.41 30.63 1ibm h HIS 53 CO 0.04 0.15 0.01 -0.09 0.71 0.00 0.00 177.93 178.75 1ibm h ARG 54 N 0.30 0.04 -0.96 5.26 2.43 -1.39 0.47 114.38 120.53 1ibm h ARG 54 Ca 0.24 -0.01 0.28 0.00 -0.81 0.00 0.00 59.98 59.68 1ibm h ARG 54 Cb 0.57 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 29.98 1ibm h ARG 54 CO -0.05 0.27 0.47 0.78 -1.51 0.00 0.00 179.97 179.93 1ibm h GLY 55 N -0.20 1.80 0.94 2.80 0.00 -1.28 0.30 103.07 107.43 1ibm h GLY 55 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1ibm h GLY 55 CO 0.00 -0.39 -0.21 -2.00 0.00 0.00 0.00 176.54 173.93 1ibm h LEU 56 N 0.35 -0.50 -0.90 3.11 5.85 -0.71 -2.03 115.31 120.48 1ibm h LEU 56 Ca 0.65 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.58 1ibm h LEU 56 Cb 1.38 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 42.42 1ibm h LEU 56 CO -0.59 -0.31 0.37 -0.07 -0.34 0.00 0.00 178.44 177.50 1ibm h LEU 57 N -0.66 0.28 -0.61 2.25 3.38 0.16 0.16 115.31 120.27 1ibm h LEU 57 Ca -0.06 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ibm h LEU 57 Cb 0.49 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1ibm h LEU 57 CO 0.10 -0.04 0.32 0.24 0.09 0.00 0.00 178.44 179.15 1ibm h MET 58 N 0.36 0.87 -0.01 1.13 2.86 -0.82 -1.29 114.93 118.02 1ibm h MET 58 Ca 0.57 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1ibm h MET 58 Cb 1.11 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 1ibm h MET 58 CO -0.56 0.67 0.01 0.52 1.06 0.00 0.00 176.91 178.61 1ibm h MET 59 N 0.84 0.02 -0.82 1.72 2.86 -0.02 -0.68 114.93 118.84 1ibm h MET 59 Ca 0.21 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.01 1ibm h MET 59 Cb 0.07 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 1ibm h MET 59 CO -0.03 0.12 0.54 0.28 1.06 0.00 0.00 176.91 178.88 1ibm h VAL 60 N -0.08 0.79 0.00 -2.22 2.07 -1.03 -0.53 116.25 115.24 1ibm h VAL 60 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1ibm h VAL 60 Cb 0.10 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1ibm h VAL 60 CO -0.00 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1ibm n GLY 61 N -1.49 -2.14 0.49 2.17 0.00 -0.50 -1.80 105.19 101.91 1ibm n GLY 61 Ca 0.16 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.58 1ibm n GLY 61 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ibm n GLN 62 N -1.25 -0.02 0.24 1.61 -0.06 -0.37 -0.17 117.38 117.37 1ibm n GLN 62 Ca 0.00 1.12 -0.10 0.00 -2.00 0.00 0.00 57.00 56.01 1ibm n GLN 62 Cb 0.00 -2.29 -0.05 0.00 -4.06 0.00 0.00 30.24 23.85 1ibm n GLN 62 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1ibm h ARG 63 N 0.00 -0.64 -1.02 3.69 2.43 -1.02 -1.40 114.38 116.42 1ibm h ARG 63 Ca 0.83 0.04 0.25 0.00 -0.81 0.00 0.00 59.98 60.29 1ibm h ARG 63 Cb 2.84 0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 32.43 1ibm h ARG 63 CO -0.32 -0.43 0.63 0.00 -1.51 0.00 0.00 179.97 178.34 1ibm h ARG 64 N -1.13 0.50 -0.05 0.20 3.08 0.25 0.42 114.38 117.65 1ibm h ARG 64 Ca -0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ibm h ARG 64 Cb 0.51 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ibm h ARG 64 CO 0.11 0.33 0.02 -0.09 -1.07 0.00 0.00 179.97 179.27 1ibm h ARG 65 N 0.51 0.07 0.62 0.04 2.43 -1.08 0.18 114.38 117.15 1ibm h ARG 65 Ca 0.61 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.75 1ibm h ARG 65 Cb 1.32 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1ibm h ARG 65 CO -0.38 0.21 -0.48 -0.07 -1.51 0.00 0.00 179.97 177.74 1ibm h LEU 66 N -0.09 -1.26 -0.62 3.80 3.38 0.18 -2.38 115.31 118.33 1ibm h LEU 66 Ca 0.02 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1ibm h LEU 66 Cb 0.17 0.39 -0.12 0.00 0.09 0.00 0.00 40.66 41.19 1ibm h LEU 66 CO -0.00 -0.68 -0.33 -0.07 0.09 0.00 0.00 178.44 177.44 1ibm h LEU 67 N -1.06 -1.17 -0.83 1.67 3.38 -1.11 0.24 115.31 116.44 1ibm h LEU 67 Ca -0.08 0.23 0.21 0.00 0.09 0.00 0.00 57.88 58.33 1ibm h LEU 67 Cb 0.88 0.58 -0.14 0.00 0.09 0.00 0.00 40.66 42.08 1ibm h LEU 67 CO 0.02 -0.30 0.14 -0.09 0.09 0.00 0.00 178.44 178.30 1ibm h ARG 68 N -0.15 0.16 -0.56 1.13 2.43 -0.43 0.90 114.38 117.87 1ibm h ARG 68 Ca 0.24 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1ibm h ARG 68 Cb 0.55 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1ibm h ARG 68 CO -0.70 0.11 0.37 -0.92 -1.51 0.00 0.00 179.97 177.32 1ibm h TYR 69 N 0.17 0.70 0.52 2.20 3.20 -0.07 -0.95 116.97 122.74 1ibm h TYR 69 Ca 0.49 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.35 1ibm h TYR 69 Cb 0.94 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1ibm h TYR 69 CO -0.33 0.44 -0.26 1.25 -1.64 0.00 0.00 178.16 177.62 1ibm h LEU 70 N 0.75 -0.61 -0.66 2.82 7.12 0.20 0.20 115.31 125.13 1ibm h LEU 70 Ca 0.20 0.02 0.13 0.00 0.13 0.00 0.00 57.88 58.36 1ibm h LEU 70 Cb -0.09 0.16 -0.12 0.00 -0.53 0.00 0.00 40.66 40.08 1ibm h LEU 70 CO -0.04 -0.43 -0.19 1.67 -0.13 0.00 0.00 178.44 179.32 1ibm n GLN 71 N -3.92 -0.08 0.40 1.25 0.00 0.20 -0.63 117.38 114.59 1ibm n GLN 71 Ca -0.09 1.03 -0.16 0.00 -0.00 0.00 0.00 57.00 57.78 1ibm n GLN 71 Cb 0.28 -1.54 -0.08 0.00 0.00 0.00 0.00 30.24 28.91 1ibm n GLN 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1ibm h ARG 72 N 0.00 -1.00 0.00 3.69 2.43 -0.72 -3.15 114.38 115.63 1ibm h ARG 72 Ca 0.30 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1ibm h ARG 72 Cb 0.46 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1ibm h ARG 72 CO -0.68 -0.67 0.00 0.39 -1.51 0.00 0.00 179.97 177.50 1ibm n GLU 73 N -5.39 0.00 -3.34 0.20 -0.58 0.67 -4.41 120.64 107.79 1ibm n GLU 73 Ca -0.13 0.01 -0.46 0.00 -0.42 0.00 0.00 57.16 56.16 1ibm n GLU 73 Cb 0.41 -0.59 -0.03 0.00 -0.57 0.00 0.00 31.44 30.66 1ibm n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ibm s ASP 74 N -2.10 6.53 0.49 1.62 -1.08 -0.96 -4.90 116.67 116.27 1ibm s ASP 74 Ca 0.00 -2.41 0.24 0.00 -0.52 0.00 0.00 52.55 49.86 1ibm s ASP 74 Cb 0.00 -2.20 1.32 0.00 -1.46 0.00 0.00 42.92 40.59 1ibm s ASP 74 CO 0.00 -0.65 1.71 1.55 0.52 0.00 0.00 175.17 178.29 1ibm h PRO 75 N 8.10 0.00 0.00 4.34 0.13 -1.68 -2.93 132.00 139.96 1ibm h PRO 75 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ibm h PRO 75 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ibm h PRO 75 CO 0.84 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.70 1ibm n GLU 76 N -2.51 0.00 -0.32 0.86 4.07 -1.26 -2.75 120.64 118.72 1ibm n GLU 76 Ca -0.02 0.50 0.23 0.00 -0.06 0.00 0.00 57.16 57.81 1ibm n GLU 76 Cb 0.27 -1.17 0.44 0.00 -0.06 0.00 0.00 31.44 30.92 1ibm n GLU 76 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ibm n ARG 77 N -1.99 -0.07 0.03 5.31 1.74 -1.12 -0.81 116.66 119.75 1ibm n ARG 77 Ca 0.00 1.40 -0.03 0.00 -0.77 0.00 0.00 57.85 58.45 1ibm n ARG 77 Cb 0.00 -2.37 -0.02 0.00 -1.02 0.00 0.00 32.46 29.05 1ibm n ARG 77 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1ibm h TYR 78 N 0.00 -0.30 -1.27 -1.55 3.20 -1.62 0.54 116.97 115.97 1ibm h TYR 78 Ca 0.72 0.01 0.37 0.00 3.14 0.00 0.00 58.73 62.96 1ibm h TYR 78 Cb 1.73 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 40.07 1ibm h TYR 78 CO -0.24 -0.12 0.91 0.00 -1.64 0.00 0.00 178.16 177.07 1ibm h ARG 79 N -0.15 0.03 0.29 1.82 3.08 -0.78 -0.18 114.38 118.48 1ibm h ARG 79 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1ibm h ARG 79 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ibm h ARG 79 CO -0.05 0.02 -0.14 0.00 -1.07 0.00 0.00 179.97 178.74 1ibm h ALA 80 N 1.38 -0.65 -0.84 0.04 0.00 0.11 -3.19 119.26 116.12 1ibm h ALA 80 Ca 0.62 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.65 1ibm h ALA 80 Cb 2.40 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 20.19 1ibm h ALA 80 CO -0.04 -0.63 -0.01 1.25 0.00 0.00 0.00 179.25 179.82 1ibm h LEU 81 N -0.61 -0.43 0.00 0.00 6.46 0.18 0.72 115.31 121.62 1ibm h LEU 81 Ca -0.04 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1ibm h LEU 81 Cb 0.29 0.41 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1ibm h LEU 81 CO 0.06 -0.24 0.00 -0.38 -0.62 0.00 0.00 178.44 177.27 1ibm n ILE 82 N -5.41 0.00 -0.38 4.05 5.41 -0.70 -0.22 119.36 122.11 1ibm n ILE 82 Ca 0.16 1.18 -0.03 0.00 1.00 0.00 0.00 62.75 65.06 1ibm n ILE 82 Cb 0.55 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1ibm n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1ibm n GLU 83 N -1.28 -0.28 -0.21 0.38 0.00 -1.07 0.18 120.64 118.36 1ibm n GLU 83 Ca 0.00 1.48 0.31 0.00 0.00 0.00 0.00 57.16 58.95 1ibm n GLU 83 Cb 0.00 -2.19 0.73 0.00 0.00 0.00 0.00 31.44 29.97 1ibm n GLU 83 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1ibm h LYS 84 N 0.00 0.00 0.00 5.31 3.64 -0.60 -3.31 116.57 121.61 1ibm h LYS 84 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1ibm h LYS 84 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1ibm h LYS 84 CO -0.95 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 177.51 1ibm n LEU 85 N -4.10 0.00 0.00 5.20 4.77 0.47 -5.05 117.00 118.29 1ibm n LEU 85 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1ibm n LEU 85 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1ibm n LEU 85 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1ibm n GLY 86 N 3.50 0.00 3.88 -0.72 0.00 -0.38 -5.06 105.19 106.41 1ibm n GLY 86 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ibm n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ibm s ILE 87 N 0.00 4.81 -0.11 -0.61 1.01 -1.25 -4.70 121.20 120.34 1ibm s ILE 87 Ca 0.00 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.19 1ibm s ILE 87 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1ibm s ILE 87 CO 0.00 -0.48 0.09 0.54 0.00 0.00 0.00 174.94 175.09 1ibm n ARG 88 N -1.20 -0.88 0.00 2.79 5.12 -1.26 -4.81 116.66 116.42 1ibm n ARG 88 Ca 0.02 1.09 0.15 0.00 -1.93 0.00 0.00 57.85 57.17 1ibm n ARG 88 Cb 0.54 -2.54 0.64 0.00 -1.16 0.00 0.00 32.46 29.94 1ibm n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11