#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg5 s LEU 2 N 0.00 4.23 1.08 1.34 1.43 -1.26 -5.07 118.68 120.43 1cg5 s LEU 2 Ca 0.00 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 1cg5 s LEU 2 Cb 0.00 -2.54 0.23 0.00 0.03 0.00 0.00 46.19 43.91 1cg5 s LEU 2 CO 0.00 -0.36 1.11 -0.94 0.23 0.00 0.00 176.35 176.39 1cg5 s SER 3 N 1.69 1.92 0.33 2.29 1.04 -1.26 -4.76 113.70 114.94 1cg5 s SER 3 Ca 0.18 0.89 0.05 0.00 0.48 0.00 0.00 55.95 57.55 1cg5 s SER 3 Cb -0.16 -1.35 0.59 0.00 0.10 0.00 0.00 66.02 65.19 1cg5 s SER 3 CO 0.12 -3.54 1.85 0.77 0.98 0.00 0.00 173.24 173.41 1cg5 h SER 4 N -2.17 0.45 -0.35 7.02 4.64 -2.00 -1.25 113.55 119.89 1cg5 h SER 4 Ca -0.50 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 60.63 1cg5 h SER 4 Cb 1.31 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1cg5 h SER 4 CO 0.48 0.57 -0.14 1.56 -0.87 0.00 0.00 176.83 178.43 1cg5 h GLN 5 N 0.44 0.71 -0.14 4.77 1.08 -2.01 -2.92 115.11 117.05 1cg5 h GLN 5 Ca 0.09 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1cg5 h GLN 5 Cb 0.41 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1cg5 h GLN 5 CO 0.02 0.90 0.09 -0.91 -0.95 0.00 0.00 178.83 177.98 1cg5 h ASN 6 N 0.49 0.16 -0.87 1.46 2.35 -1.80 -2.75 115.58 114.63 1cg5 h ASN 6 Ca 0.08 -0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1cg5 h ASN 6 Cb 0.67 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.93 1cg5 h ASN 6 CO 0.05 0.14 0.52 0.11 -1.65 0.00 0.00 177.43 176.60 1cg5 h LYS 7 N 0.17 0.88 -0.47 0.81 1.57 -1.22 -0.26 116.57 118.05 1cg5 h LYS 7 Ca 0.05 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1cg5 h LYS 7 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1cg5 h LYS 7 CO -0.01 0.58 -0.04 0.87 -0.57 0.00 0.00 179.45 180.28 1cg5 h LYS 8 N 0.90 0.79 -0.41 3.15 1.79 -1.39 -0.12 116.57 121.28 1cg5 h LYS 8 Ca 0.40 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 1cg5 h LYS 8 Cb 0.29 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1cg5 h LYS 8 CO -0.22 0.82 0.10 0.00 -1.08 0.00 0.00 179.45 179.08 1cg5 h ALA 9 N 1.22 0.54 -0.47 3.86 0.00 -1.03 -2.18 119.26 121.21 1cg5 h ALA 9 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1cg5 h ALA 9 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1cg5 h ALA 9 CO 0.03 0.22 -0.08 0.82 0.00 0.00 0.00 179.25 180.24 1cg5 h ILE 10 N 0.53 1.27 -0.77 0.00 2.04 -0.83 -2.15 117.51 117.59 1cg5 h ILE 10 Ca 0.13 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 1cg5 h ILE 10 Cb 0.31 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1cg5 h ILE 10 CO 0.00 0.41 0.29 -0.33 0.00 0.00 0.00 178.15 178.52 1cg5 h GLU 11 N 0.73 1.17 -0.50 2.37 5.08 -0.95 -0.37 114.58 122.09 1cg5 h GLU 11 Ca 0.12 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1cg5 h GLU 11 Cb 0.62 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1cg5 h GLU 11 CO 0.04 0.96 -0.06 1.49 -1.00 0.00 0.00 179.01 180.44 1cg5 h GLU 12 N 1.13 0.90 -0.22 2.33 4.57 -1.30 -2.74 114.58 119.23 1cg5 h GLU 12 Ca 0.26 -0.29 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 1cg5 h GLU 12 Cb 0.24 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1cg5 h GLU 12 CO -0.02 0.93 -0.35 1.25 -1.18 0.00 0.00 179.01 179.64 1cg5 h LEU 13 N 0.82 0.50 -1.33 1.64 6.46 -1.01 -2.89 115.31 119.51 1cg5 h LEU 13 Ca 0.14 -0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1cg5 h LEU 13 Cb 0.57 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1cg5 h LEU 13 CO 0.03 0.82 0.47 1.23 -0.62 0.00 0.00 178.44 180.38 1cg5 h GLY 14 N 1.08 0.99 1.01 3.75 0.00 -0.77 -0.62 103.07 108.51 1cg5 h GLY 14 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1cg5 h GLY 14 CO 0.07 0.30 0.16 3.43 0.00 0.00 0.00 176.54 180.50 1cg5 h ASN 15 N 0.87 0.88 -0.05 0.19 -0.26 -1.37 -1.62 115.58 114.21 1cg5 h ASN 15 Ca 0.29 -0.22 -0.14 0.00 -0.56 0.00 0.00 56.30 55.67 1cg5 h ASN 15 Cb 0.06 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 1cg5 h ASN 15 CO -0.08 0.87 -0.43 -0.07 -1.06 0.00 0.00 177.43 176.66 1cg5 h LEU 16 N 0.85 0.62 -0.15 1.61 3.38 -1.35 -2.62 115.31 117.65 1cg5 h LEU 16 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1cg5 h LEU 16 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1cg5 h LEU 16 CO -0.00 0.97 0.05 0.40 0.09 0.00 0.00 178.44 179.95 1cg5 h ILE 17 N 0.48 1.16 -0.73 1.22 2.04 -0.96 -2.24 117.51 118.48 1cg5 h ILE 17 Ca 0.04 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.48 1cg5 h ILE 17 Cb 0.94 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 1cg5 h ILE 17 CO 0.08 0.15 0.41 0.50 0.00 0.00 0.00 178.15 179.29 1cg5 h LYS 18 N 0.07 0.71 0.00 2.37 3.11 -1.26 0.33 116.57 121.91 1cg5 h LYS 18 Ca 0.05 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1cg5 h LYS 18 Cb 0.19 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 1cg5 h LYS 18 CO -0.00 0.47 -0.30 0.00 -2.81 0.00 0.00 179.45 176.81 1cg5 h ALA 19 N 1.38 1.32 0.00 5.00 0.00 -1.32 -3.19 119.26 122.45 1cg5 h ALA 19 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1cg5 h ALA 19 Cb 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1cg5 h ALA 19 CO -0.20 0.37 -0.43 0.09 0.00 0.00 0.00 179.25 179.08 1cg5 n ASN 20 N -3.92 1.77 -0.17 0.00 3.02 -0.68 -4.90 115.26 110.37 1cg5 n ASN 20 Ca -0.02 -3.58 -0.03 0.00 -0.03 0.00 0.00 54.58 50.92 1cg5 n ASN 20 Cb 0.37 -0.49 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1cg5 n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cg5 h ALA 21 N 0.77 0.23 0.21 5.41 0.00 -0.38 -1.69 119.26 123.80 1cg5 h ALA 21 Ca -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1cg5 h ALA 21 Cb 1.06 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1cg5 h ALA 21 CO 0.01 -0.51 -0.10 1.49 0.00 0.00 0.00 179.25 180.13 1cg5 h GLU 22 N -0.07 -0.27 -0.31 0.00 4.81 -1.85 -1.04 114.58 115.85 1cg5 h GLU 22 Ca 0.25 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1cg5 h GLU 22 Cb 0.45 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1cg5 h GLU 22 CO -0.58 -0.01 0.12 0.00 -0.73 0.00 0.00 179.01 177.81 1cg5 h ALA 23 N 0.22 0.40 -0.25 2.92 0.00 -1.89 -0.59 119.26 120.08 1cg5 h ALA 23 Ca -0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1cg5 h ALA 23 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1cg5 h ALA 23 CO 0.05 0.00 -0.43 -1.49 0.00 0.00 0.00 179.25 177.38 1cg5 h TRP 24 N 0.35 0.74 -0.43 0.00 4.06 -1.40 -2.31 115.95 116.96 1cg5 h TRP 24 Ca 0.10 -0.22 -0.05 0.00 2.06 0.00 0.00 58.89 60.78 1cg5 h TRP 24 Cb 0.19 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1cg5 h TRP 24 CO -0.00 0.94 0.07 0.78 -3.56 0.00 0.00 178.44 176.66 1cg5 h GLY 25 N 1.02 0.77 1.04 1.49 0.00 -1.05 -1.33 103.07 105.01 1cg5 h GLY 25 Ca 0.04 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1cg5 h GLY 25 CO 0.09 0.48 0.27 0.00 0.00 0.00 0.00 176.54 177.38 1cg5 h ALA 26 N 0.94 0.97 -0.18 3.60 0.00 -1.04 -2.06 119.26 121.49 1cg5 h ALA 26 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1cg5 h ALA 26 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1cg5 h ALA 26 CO 0.01 0.62 0.03 0.22 0.00 0.00 0.00 179.25 180.13 1cg5 h ASP 27 N 1.09 0.29 -0.77 0.00 1.82 -1.27 -1.19 116.42 116.38 1cg5 h ASP 27 Ca 0.25 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1cg5 h ASP 27 Cb 0.25 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 1cg5 h ASP 27 CO -0.02 0.47 0.46 0.00 -1.61 0.00 0.00 179.24 178.54 1cg5 h ALA 28 N 0.83 0.98 -0.44 -0.78 0.00 -1.14 -1.65 119.26 117.05 1cg5 h ALA 28 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1cg5 h ALA 28 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1cg5 h ALA 28 CO 0.00 0.45 -0.20 -0.07 0.00 0.00 0.00 179.25 179.43 1cg5 h LEU 29 N 1.05 0.94 -1.21 0.00 3.38 -1.33 -1.91 115.31 116.24 1cg5 h LEU 29 Ca 0.27 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1cg5 h LEU 29 Cb -0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1cg5 h LEU 29 CO -0.05 1.13 0.53 0.00 0.09 0.00 0.00 178.44 180.14 1cg5 h ALA 30 N 0.84 1.43 -0.29 1.53 0.00 -0.91 -0.77 119.26 121.09 1cg5 h ALA 30 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1cg5 h ALA 30 Cb 0.77 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1cg5 h ALA 30 CO 0.06 0.53 -0.12 0.00 0.00 0.00 0.00 179.25 179.72 1cg5 h ARG 31 N 1.09 0.59 -0.49 0.00 3.08 -1.14 -2.22 114.38 115.29 1cg5 h ARG 31 Ca 0.29 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1cg5 h ARG 31 Cb -0.13 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1cg5 h ARG 31 CO -0.06 0.82 0.27 1.25 -1.07 0.00 0.00 179.97 181.18 1cg5 h LEU 32 N 0.34 0.43 -0.96 3.04 5.85 -0.85 -0.90 115.31 122.26 1cg5 h LEU 32 Ca 0.07 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1cg5 h LEU 32 Cb 0.63 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1cg5 h LEU 32 CO 0.04 0.30 -0.16 -0.26 -0.34 0.00 0.00 178.44 178.02 1cg5 h PHE 33 N 0.54 0.64 -0.00 1.25 0.04 -1.11 -0.84 116.94 117.46 1cg5 h PHE 33 Ca 0.20 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 1cg5 h PHE 33 Cb 0.05 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1cg5 h PHE 33 CO -0.08 0.71 -0.20 1.49 -0.60 0.00 0.00 178.31 179.63 1cg5 h GLU 34 N 0.53 0.14 -0.10 1.51 4.57 -1.02 -3.07 114.58 117.14 1cg5 h GLU 34 Ca 0.09 -0.15 -0.18 0.00 -1.18 0.00 0.00 59.36 57.94 1cg5 h GLU 34 Cb 0.57 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1cg5 h GLU 34 CO 0.04 0.89 -0.70 -0.07 -1.18 0.00 0.00 179.01 177.98 1cg5 h LEU 35 N -0.55 0.52 -6.75 1.64 4.07 -1.22 -3.38 115.31 109.63 1cg5 h LEU 35 Ca -0.02 -0.33 -0.61 0.00 0.08 0.00 0.00 57.88 57.00 1cg5 h LEU 35 Cb 0.96 -0.15 -0.40 0.00 1.08 0.00 0.00 40.66 42.14 1cg5 h LEU 35 CO 0.04 1.06 -0.75 1.41 -1.08 0.00 0.00 178.44 179.12 1cg5 n HIS 36 N -3.86 1.45 0.05 1.13 8.25 -0.32 -4.99 115.22 116.93 1cg5 n HIS 36 Ca -0.04 -3.88 0.21 0.00 -0.26 0.00 0.00 57.72 53.76 1cg5 n HIS 36 Cb 0.69 -0.24 0.73 0.00 1.12 0.00 0.00 29.99 32.29 1cg5 n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1cg5 h PRO 37 N 5.45 0.00 0.00 -0.41 0.13 -1.73 -1.77 132.00 133.68 1cg5 h PRO 37 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1cg5 h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1cg5 h PRO 37 CO 0.57 0.00 -0.01 -0.56 -0.23 0.00 0.00 178.00 177.77 1cg5 h GLN 38 N 0.00 0.00 0.00 0.86 -0.00 -1.92 -2.28 115.11 111.78 1cg5 h GLN 38 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.88 1cg5 h GLN 38 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 1cg5 h GLN 38 CO -0.00 0.01 0.00 1.79 -0.00 0.00 0.00 178.83 180.63 1cg5 h THR 39 N 0.00 0.00 0.00 1.86 1.35 -1.64 -2.91 112.91 111.57 1cg5 h THR 39 Ca -0.00 -0.39 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 1cg5 h THR 39 Cb 0.25 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1cg5 h THR 39 CO 0.00 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.31 1cg5 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.62 -3.10 116.57 118.15 1cg5 h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cg5 h LYS 40 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1cg5 h LYS 40 CO 0.00 0.07 -0.02 1.79 -0.57 0.00 0.00 179.45 180.73 1cg5 h THR 41 N 0.00 0.32 -0.00 -0.16 1.35 -1.70 -1.17 112.91 111.53 1cg5 h THR 41 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1cg5 h THR 41 Cb 0.54 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1cg5 h THR 41 CO 0.01 0.02 -0.13 -1.22 -0.25 0.00 0.00 175.52 173.94 1cg5 n TYR 42 N -3.50 0.00 -2.68 4.73 4.01 -1.17 -4.08 117.16 114.47 1cg5 n TYR 42 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 1cg5 n TYR 42 Cb 0.11 -0.21 -0.00 0.00 -0.31 0.00 0.00 39.34 38.92 1cg5 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1cg5 n PHE 43 N -1.04 2.55 0.28 -0.72 3.72 -0.44 -4.89 117.46 116.92 1cg5 n PHE 43 Ca 0.13 -3.25 0.14 0.00 -0.05 0.00 0.00 57.45 54.42 1cg5 n PHE 43 Cb 0.29 -0.27 0.66 0.00 -0.94 0.00 0.00 39.48 39.22 1cg5 n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1cg5 h SER 44 N 2.81 0.00 1.53 4.37 4.64 -1.71 -2.12 113.55 123.07 1cg5 h SER 44 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1cg5 h SER 44 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1cg5 h SER 44 CO 0.71 0.00 -0.08 0.11 -0.87 0.00 0.00 176.83 176.70 1cg5 h LYS 45 N 0.00 0.00 -6.98 4.77 6.56 -1.93 -3.47 116.57 115.53 1cg5 h LYS 45 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1cg5 h LYS 45 Cb 0.18 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 31.93 1cg5 h LYS 45 CO 0.00 0.00 0.58 -0.06 -2.06 0.00 0.00 179.45 177.91 1cg5 s PHE 46 N -3.14 2.74 -2.69 -1.35 0.40 -0.80 -4.94 117.98 108.21 1cg5 s PHE 46 Ca 0.09 1.44 0.25 0.00 -0.60 0.00 0.00 56.93 58.11 1cg5 s PHE 46 Cb 0.11 -3.62 0.41 0.00 0.51 0.00 0.00 43.02 40.43 1cg5 s PHE 46 CO 0.63 -2.08 1.38 -1.13 0.70 0.00 0.00 175.22 174.72 1cg5 n SER 47 N -0.22 2.40 -3.61 1.36 3.41 -1.26 -4.98 113.62 110.72 1cg5 n SER 47 Ca 0.06 -1.76 -0.02 0.00 -0.26 0.00 0.00 58.87 56.89 1cg5 n SER 47 Cb 0.45 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1cg5 n SER 47 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1cg5 s GLY 48 N -2.08 -0.35 -0.04 5.00 0.00 -1.26 -5.07 107.32 103.52 1cg5 s GLY 48 Ca 0.29 1.16 0.06 0.00 0.00 0.00 0.00 44.72 46.24 1cg5 s GLY 48 CO 0.35 0.34 0.96 0.69 0.00 0.00 0.00 173.10 175.44 1cg5 n PHE 49 N -0.27 0.00 -2.29 1.90 3.72 -1.26 -4.76 117.46 114.50 1cg5 n PHE 49 Ca -0.04 -0.48 -0.29 0.00 -0.05 0.00 0.00 57.45 56.60 1cg5 n PHE 49 Cb 0.60 -0.07 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 1cg5 n PHE 49 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1cg5 s GLU 50 N -1.24 3.41 0.50 -1.08 8.01 -1.26 -4.57 118.70 122.46 1cg5 s GLU 50 Ca 0.10 0.37 0.22 0.00 0.01 0.00 0.00 54.97 55.68 1cg5 s GLU 50 Cb 0.09 -2.23 1.30 0.00 -4.31 0.00 0.00 34.13 28.98 1cg5 s GLU 50 CO 0.01 -0.47 2.06 0.00 0.01 0.00 0.00 175.26 176.87 1cg5 h ALA 51 N -0.09 1.46 0.00 5.21 0.00 -1.94 -2.11 119.26 121.79 1cg5 h ALA 51 Ca -0.46 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1cg5 h ALA 51 Cb 1.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cg5 h ALA 51 CO 0.62 0.17 -0.26 0.00 0.00 0.00 0.00 179.25 179.78 1cg5 s ASN 53 N -6.54 6.59 0.29 0.00 3.84 -0.79 -4.94 114.94 113.38 1cg5 s ASN 53 Ca -0.02 2.63 -0.01 0.00 0.21 0.00 0.00 52.86 55.67 1cg5 s ASN 53 Cb 0.13 -2.60 0.45 0.00 -0.55 0.00 0.00 41.25 38.68 1cg5 s ASN 53 CO 0.66 -0.81 1.92 -0.33 -2.79 0.00 0.00 177.10 175.76 1cg5 h GLU 54 N 6.43 1.09 -0.27 0.43 4.39 -1.89 -1.02 114.58 123.75 1cg5 h GLU 54 Ca -0.43 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.07 1cg5 h GLU 54 Cb 1.21 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1cg5 h GLU 54 CO 0.89 0.72 -0.37 1.96 -1.16 0.00 0.00 179.01 181.05 1cg5 h GLN 55 N 1.12 0.62 -0.55 2.33 4.20 -1.92 -1.66 115.11 119.24 1cg5 h GLN 55 Ca 0.38 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 1cg5 h GLN 55 Cb 0.08 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1cg5 h GLN 55 CO -0.13 0.89 0.08 0.28 -0.67 0.00 0.00 178.83 179.29 1cg5 h VAL 56 N 0.51 1.26 -0.54 -0.54 2.07 -1.70 -2.12 116.25 115.19 1cg5 h VAL 56 Ca 0.05 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1cg5 h VAL 56 Cb 0.88 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1cg5 h VAL 56 CO 0.08 0.35 0.25 0.11 0.02 0.00 0.00 177.57 178.38 1cg5 h LYS 57 N 0.81 0.78 -0.40 1.57 1.57 -1.00 0.38 116.57 120.29 1cg5 h LYS 57 Ca 0.17 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1cg5 h LYS 57 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1cg5 h LYS 57 CO 0.01 0.65 -0.01 0.87 -0.57 0.00 0.00 179.45 180.40 1cg5 h LYS 58 N 0.73 0.71 -0.21 3.15 1.79 -1.18 -1.46 116.57 120.10 1cg5 h LYS 58 Ca 0.18 -0.23 -0.16 0.00 -2.18 0.00 0.00 60.65 58.26 1cg5 h LYS 58 Cb 0.13 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1cg5 h LYS 58 CO -0.02 0.81 -0.53 1.25 -1.08 0.00 0.00 179.45 179.87 1cg5 h HIS 59 N 0.53 0.75 -0.75 -1.35 2.76 -1.30 -2.80 115.15 113.00 1cg5 h HIS 59 Ca 0.11 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1cg5 h HIS 59 Cb 0.50 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 1cg5 h HIS 59 CO 0.04 1.00 0.47 0.78 -1.30 0.00 0.00 177.93 178.93 1cg5 h GLY 60 N 1.01 1.07 0.97 5.26 0.00 -0.77 -1.65 103.07 108.96 1cg5 h GLY 60 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1cg5 h GLY 60 CO 0.10 0.41 0.17 1.70 0.00 0.00 0.00 176.54 178.92 1cg5 h LYS 61 N 1.02 0.78 -0.17 4.80 3.64 -1.20 -1.41 116.57 124.03 1cg5 h LYS 61 Ca 0.27 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1cg5 h LYS 61 Cb -0.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1cg5 h LYS 61 CO -0.06 0.72 0.11 0.00 -2.27 0.00 0.00 179.45 177.95 1cg5 h ARG 62 N 0.68 0.21 -0.15 1.90 3.08 -1.21 0.12 114.38 119.02 1cg5 h ARG 62 Ca 0.16 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1cg5 h ARG 62 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1cg5 h ARG 62 CO -0.01 0.14 0.08 0.28 -1.07 0.00 0.00 179.97 179.40 1cg5 h VAL 63 N 0.22 1.02 -0.34 2.04 2.07 -1.19 -1.78 116.25 118.28 1cg5 h VAL 63 Ca 0.06 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1cg5 h VAL 63 Cb -0.02 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1cg5 h VAL 63 CO -0.02 0.03 -0.09 0.24 0.02 0.00 0.00 177.57 177.75 1cg5 h MET 64 N 0.18 0.58 -0.47 1.57 2.86 -1.09 -1.28 114.93 117.28 1cg5 h MET 64 Ca 0.06 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1cg5 h MET 64 Cb -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1cg5 h MET 64 CO -0.03 0.67 -0.10 -0.91 1.06 0.00 0.00 176.91 177.60 1cg5 h ASN 65 N 0.54 0.83 0.07 1.22 -0.26 -0.78 0.19 115.58 117.38 1cg5 h ASN 65 Ca 0.10 -0.25 -0.11 0.00 -0.56 0.00 0.00 56.30 55.47 1cg5 h ASN 65 Cb 0.49 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1cg5 h ASN 65 CO 0.03 0.95 -0.38 0.00 -1.06 0.00 0.00 177.43 176.98 1cg5 h ALA 66 N 1.12 1.01 -0.23 -0.83 0.00 -0.91 -1.61 119.26 117.82 1cg5 h ALA 66 Ca 0.13 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1cg5 h ALA 66 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1cg5 h ALA 66 CO 0.04 0.61 -0.65 1.25 0.00 0.00 0.00 179.25 180.50 1cg5 h LEU 67 N 0.35 0.95 -0.57 0.00 5.85 -0.94 -2.67 115.31 118.28 1cg5 h LEU 67 Ca 0.04 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1cg5 h LEU 67 Cb 0.82 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1cg5 h LEU 67 CO 0.07 1.35 0.11 0.00 -0.34 0.00 0.00 178.44 179.63 1cg5 h ALA 68 N 0.65 0.76 -0.85 1.25 0.00 -0.81 -2.86 119.26 117.40 1cg5 h ALA 68 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1cg5 h ALA 68 Cb 1.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1cg5 h ALA 68 CO 0.14 0.49 0.44 -0.44 0.00 0.00 0.00 179.25 179.88 1cg5 h ASP 69 N 0.83 1.08 0.09 0.00 3.32 -1.28 -2.49 116.42 117.98 1cg5 h ASP 69 Ca 0.18 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1cg5 h ASP 69 Cb 0.39 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1cg5 h ASP 69 CO 0.01 0.89 -0.06 0.00 -1.72 0.00 0.00 179.24 178.35 1cg5 h ALA 70 N 1.28 1.71 0.00 3.45 0.00 -1.24 -2.21 119.26 122.25 1cg5 h ALA 70 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1cg5 h ALA 70 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1cg5 h ALA 70 CO -0.04 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.54 1cg5 n THR 71 N -4.19 0.84 -0.24 0.00 -2.24 -0.94 -1.62 114.28 105.90 1cg5 n THR 71 Ca -0.03 0.21 0.07 0.00 -2.27 0.00 0.00 64.05 62.04 1cg5 n THR 71 Cb 0.15 -0.99 0.20 0.00 -2.10 0.00 0.00 70.33 67.60 1cg5 n THR 71 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1cg5 n HIS 72 N -1.38 0.62 -2.48 4.78 -0.00 -0.83 -4.42 115.22 111.51 1cg5 n HIS 72 Ca 0.05 -0.50 -0.02 0.00 -0.00 0.00 0.00 57.72 57.25 1cg5 n HIS 72 Cb 0.13 -0.02 0.05 0.00 -0.00 0.00 0.00 29.99 30.15 1cg5 n HIS 72 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1cg5 n HIS 73 N 0.86 1.04 0.28 4.41 8.25 -0.64 -4.90 115.22 124.52 1cg5 n HIS 73 Ca 0.16 -1.64 0.13 0.00 -0.26 0.00 0.00 57.72 56.11 1cg5 n HIS 73 Cb 0.49 -0.23 0.80 0.00 1.12 0.00 0.00 29.99 32.17 1cg5 n HIS 73 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cg5 h LEU 74 N 1.92 0.00 0.00 2.41 3.38 -1.77 -1.32 115.31 119.94 1cg5 h LEU 74 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1cg5 h LEU 74 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1cg5 h LEU 74 CO 0.24 0.03 -0.40 0.44 0.09 0.00 0.00 178.44 178.84 1cg5 h ASP 75 N 0.00 0.00 -1.22 -0.43 3.32 -1.93 -3.37 116.42 112.79 1cg5 h ASP 75 Ca -0.00 -0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.62 1cg5 h ASP 75 Cb 0.08 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.22 1cg5 h ASP 75 CO 0.00 0.00 -1.09 -3.20 -1.72 0.00 0.00 179.24 173.24 1cg5 n ASN 76 N -2.93 2.17 -0.12 6.45 2.85 -0.60 -4.94 115.26 118.14 1cg5 n ASN 76 Ca 0.02 -2.97 -0.05 0.00 -0.11 0.00 0.00 54.58 51.47 1cg5 n ASN 76 Cb 0.54 -0.52 0.14 0.00 1.24 0.00 0.00 39.78 41.17 1cg5 n ASN 76 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1cg5 h LEU 77 N 2.91 0.80 0.03 1.20 5.85 -1.47 -2.67 115.31 121.97 1cg5 h LEU 77 Ca 0.01 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1cg5 h LEU 77 Cb 1.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1cg5 h LEU 77 CO 0.58 0.88 -0.02 -0.74 -0.34 0.00 0.00 178.44 178.80 1cg5 h HIS 78 N 0.77 -0.04 -0.25 1.25 2.76 -1.92 -2.21 115.15 115.51 1cg5 h HIS 78 Ca 0.14 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 1cg5 h HIS 78 Cb 0.49 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1cg5 h HIS 78 CO 0.03 0.04 -0.30 -0.07 -1.30 0.00 0.00 177.93 176.33 1cg5 h LEU 79 N -0.11 0.51 -0.66 0.26 4.07 -1.97 -2.78 115.31 114.63 1cg5 h LEU 79 Ca -0.00 -0.19 -0.10 0.00 0.08 0.00 0.00 57.88 57.67 1cg5 h LEU 79 Cb 0.10 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1cg5 h LEU 79 CO 0.01 0.79 -0.04 -0.74 -1.08 0.00 0.00 178.44 177.38 1cg5 h HIS 80 N 0.44 1.11 -0.06 1.13 2.76 -1.35 -3.12 115.15 116.05 1cg5 h HIS 80 Ca 0.06 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1cg5 h HIS 80 Cb 0.74 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1cg5 h HIS 80 CO 0.03 1.00 0.00 1.28 -1.30 0.00 0.00 177.93 178.93 1cg5 n LEU 81 N -4.17 1.87 -0.21 0.26 4.77 -0.84 -4.47 117.00 114.21 1cg5 n LEU 81 Ca 0.02 -0.66 0.02 0.00 -0.03 0.00 0.00 56.01 55.36 1cg5 n LEU 81 Cb 0.36 -0.03 0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1cg5 n LEU 81 CO 0.44 0.33 0.94 -0.08 -1.33 0.00 0.00 177.39 177.69 1cg5 h GLU 82 N 2.84 0.29 -0.63 3.23 4.81 -1.43 0.52 114.58 124.21 1cg5 h GLU 82 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1cg5 h GLU 82 Cb 0.61 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1cg5 h GLU 82 CO 0.00 0.19 0.26 -0.44 -0.73 0.00 0.00 179.01 178.29 1cg5 h ASP 83 N 0.30 0.86 -0.03 1.04 3.32 -1.81 -1.46 116.42 118.63 1cg5 h ASP 83 Ca 0.34 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1cg5 h ASP 83 Cb 0.50 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1cg5 h ASP 83 CO -0.40 0.79 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.42 1cg5 h LEU 84 N 0.88 0.60 -0.70 1.55 3.38 -1.70 -2.33 115.31 116.99 1cg5 h LEU 84 Ca 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1cg5 h LEU 84 Cb 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1cg5 h LEU 84 CO -0.02 0.95 0.39 0.00 0.09 0.00 0.00 178.44 179.85 1cg5 h ALA 85 N 1.08 0.90 -0.39 1.53 0.00 -0.66 -1.72 119.26 119.99 1cg5 h ALA 85 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1cg5 h ALA 85 Cb 0.93 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1cg5 h ALA 85 CO 0.08 0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.87 1cg5 h ARG 86 N 0.96 0.61 -0.30 0.00 2.47 -1.11 -0.97 114.38 116.04 1cg5 h ARG 86 Ca 0.25 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1cg5 h ARG 86 Cb 0.03 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 1cg5 h ARG 86 CO -0.04 0.61 0.20 -0.22 0.56 0.00 0.00 179.97 181.07 1cg5 h LYS 87 N 0.49 0.39 -0.20 0.04 3.64 -1.14 -0.11 116.57 119.68 1cg5 h LYS 87 Ca 0.13 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 1cg5 h LYS 87 Cb 0.25 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1cg5 h LYS 87 CO -0.00 0.26 -0.35 0.45 -2.27 0.00 0.00 179.45 177.53 1cg5 h HIS 88 N 0.40 0.74 0.00 1.91 3.86 -1.27 -1.00 115.15 119.80 1cg5 h HIS 88 Ca 0.11 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1cg5 h HIS 88 Cb -0.04 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 1cg5 h HIS 88 CO -0.06 1.00 -0.11 0.78 0.86 0.00 0.00 177.93 180.40 1cg5 h GLY 89 N 0.28 0.00 0.00 2.45 0.00 -1.14 0.11 103.07 104.77 1cg5 h GLY 89 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 1cg5 h GLY 89 CO 0.08 0.00 -1.66 1.18 0.00 0.00 0.00 176.54 176.14 1cg5 n GLU 90 N -3.13 2.35 -0.06 4.80 1.02 -0.06 -4.43 120.64 121.13 1cg5 n GLU 90 Ca 0.03 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 1cg5 n GLU 90 Cb 0.57 -1.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.69 1cg5 n GLU 90 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cg5 n ASN 91 N -2.37 0.93 -0.01 1.62 3.02 -0.83 -4.79 115.26 112.82 1cg5 n ASN 91 Ca -0.16 0.15 -0.17 0.00 -0.03 0.00 0.00 54.58 54.37 1cg5 n ASN 91 Cb 0.81 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 1cg5 n ASN 91 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1cg5 h LEU 92 N -0.45 0.92 -0.96 3.41 3.38 -1.27 -3.48 115.31 116.85 1cg5 h LEU 92 Ca -0.32 -0.61 -0.41 0.00 0.09 0.00 0.00 57.88 56.62 1cg5 h LEU 92 Cb 1.29 -0.27 0.10 0.00 0.09 0.00 0.00 40.66 41.86 1cg5 h LEU 92 CO -0.19 1.41 -0.71 0.18 0.09 0.00 0.00 178.44 179.22 1cg5 n LEU 93 N -3.92 -3.25 -4.69 1.67 4.77 0.39 -4.96 117.00 107.00 1cg5 n LEU 93 Ca -0.07 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 54.87 1cg5 n LEU 93 Cb 0.75 -2.93 -0.03 0.00 -2.33 0.00 0.00 43.42 38.89 1cg5 n LEU 93 CO 0.53 0.59 0.97 -0.69 -1.33 0.00 0.00 177.39 177.46 1cg5 s VAL 94 N -3.33 4.10 -0.01 4.08 1.01 -1.24 -4.94 120.40 120.07 1cg5 s VAL 94 Ca 0.55 1.46 -0.35 0.00 0.00 0.00 0.00 61.98 63.64 1cg5 s VAL 94 Cb -0.25 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.06 1cg5 s VAL 94 CO 0.75 0.02 1.75 -0.67 0.00 0.00 0.00 175.10 176.95 1cg5 n ASP 95 N 5.00 3.18 -0.09 3.32 -0.08 -1.26 -4.82 116.55 121.80 1cg5 n ASP 95 Ca 0.11 1.02 0.26 0.00 -1.51 0.00 0.00 54.79 54.67 1cg5 n ASP 95 Cb 0.46 -1.36 0.72 0.00 2.34 0.00 0.00 41.12 43.27 1cg5 n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1cg5 h PRO 96 N 7.81 0.00 -0.33 -0.67 0.11 -1.97 -1.47 132.00 135.48 1cg5 h PRO 96 Ca -0.47 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1cg5 h PRO 96 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1cg5 h PRO 96 CO 0.92 0.00 0.23 1.25 -0.21 0.00 0.00 178.00 180.19 1cg5 h HIS 97 N 0.00 0.05 0.00 0.65 -0.00 -2.00 -2.00 115.15 111.85 1cg5 h HIS 97 Ca 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 1cg5 h HIS 97 Cb 1.58 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.97 1cg5 h HIS 97 CO 0.00 0.03 -0.06 -0.91 -0.00 0.00 0.00 177.93 176.98 1cg5 h ASN 98 N 0.05 0.00 -0.63 3.26 -0.26 -1.62 -2.98 115.58 113.39 1cg5 h ASN 98 Ca 0.15 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 1cg5 h ASN 98 Cb 0.54 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.78 1cg5 h ASN 98 CO -0.01 0.06 0.07 -0.26 -1.06 0.00 0.00 177.43 176.23 1cg5 h PHE 99 N 0.00 1.15 -0.42 1.19 0.04 -1.56 -1.83 116.94 115.52 1cg5 h PHE 99 Ca -0.00 -0.17 -0.14 0.00 2.80 0.00 0.00 57.97 60.46 1cg5 h PHE 99 Cb 0.41 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1cg5 h PHE 99 CO 0.00 0.99 -0.27 1.25 -0.60 0.00 0.00 178.31 179.68 1cg5 h HIS 100 N 0.98 1.08 -0.61 -0.55 2.76 -1.69 -2.02 115.15 115.10 1cg5 h HIS 100 Ca 0.19 -0.29 0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1cg5 h HIS 100 Cb 0.48 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 1cg5 h HIS 100 CO 0.04 1.10 0.37 -0.07 -1.30 0.00 0.00 177.93 178.06 1cg5 h LEU 101 N 0.75 0.60 -0.70 0.26 3.38 -1.51 -2.44 115.31 115.65 1cg5 h LEU 101 Ca 0.09 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1cg5 h LEU 101 Cb 0.85 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1cg5 h LEU 101 CO 0.07 0.41 0.11 0.15 0.09 0.00 0.00 178.44 179.28 1cg5 h PHE 102 N 0.73 1.18 -0.44 1.13 3.57 -1.25 -2.89 116.94 118.96 1cg5 h PHE 102 Ca 0.25 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1cg5 h PHE 102 Cb 0.04 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 1cg5 h PHE 102 CO -0.06 0.99 0.21 0.00 -2.23 0.00 0.00 178.31 177.22 1cg5 h ALA 103 N 1.07 0.55 0.00 2.41 0.00 -0.93 -0.45 119.26 121.92 1cg5 h ALA 103 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1cg5 h ALA 103 Cb 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1cg5 h ALA 103 CO 0.01 -0.16 -0.11 -0.44 0.00 0.00 0.00 179.25 178.56 1cg5 h ASP 104 N 0.41 0.00 0.30 0.00 3.32 -1.26 -2.26 116.42 116.94 1cg5 h ASP 104 Ca 0.20 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.92 1cg5 h ASP 104 Cb 0.13 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.71 1cg5 h ASP 104 CO -0.15 0.11 -1.43 0.00 -1.72 0.00 0.00 179.24 176.04 1cg5 h ILE 106 N 0.15 1.23 -0.77 0.00 2.04 -0.62 -1.70 117.51 117.83 1cg5 h ILE 106 Ca -0.23 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1cg5 h ILE 106 Cb 2.12 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1cg5 h ILE 106 CO 0.26 0.22 0.47 0.58 0.00 0.00 0.00 178.15 179.68 1cg5 h VAL 107 N 1.19 1.21 -0.22 1.67 2.07 -1.51 -1.33 116.25 119.34 1cg5 h VAL 107 Ca 0.32 -0.46 -0.16 0.00 0.82 0.00 0.00 66.70 67.22 1cg5 h VAL 107 Cb -0.14 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1cg5 h VAL 107 CO -0.07 0.22 -0.53 0.58 0.02 0.00 0.00 177.57 177.79 1cg5 h VAL 108 N 1.06 1.31 -0.82 2.57 2.07 -1.43 -1.53 116.25 119.48 1cg5 h VAL 108 Ca 0.28 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 66.05 1cg5 h VAL 108 Cb -0.05 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1cg5 h VAL 108 CO -0.05 0.55 0.53 0.74 0.02 0.00 0.00 177.57 179.36 1cg5 h THR 109 N 0.49 1.22 -0.49 2.57 2.02 -0.58 -1.09 112.91 117.05 1cg5 h THR 109 Ca 0.01 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1cg5 h THR 109 Cb 1.09 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1cg5 h THR 109 CO 0.10 0.21 0.06 -0.07 0.37 0.00 0.00 175.52 176.19 1cg5 h LEU 110 N 1.11 0.80 -1.30 2.58 3.38 -1.09 -2.26 115.31 118.53 1cg5 h LEU 110 Ca 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1cg5 h LEU 110 Cb -0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1cg5 h LEU 110 CO -0.06 0.87 0.13 0.00 0.09 0.00 0.00 178.44 179.47 1cg5 h ALA 111 N 0.96 1.45 -0.04 1.53 0.00 -0.73 0.17 119.26 122.60 1cg5 h ALA 111 Ca 0.15 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1cg5 h ALA 111 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1cg5 h ALA 111 CO 0.01 0.41 -0.75 0.28 0.00 0.00 0.00 179.25 179.20 1cg5 h VAL 112 N 0.60 1.43 0.00 0.00 2.07 -1.03 -3.37 116.25 115.94 1cg5 h VAL 112 Ca 0.14 -2.29 -0.35 0.00 0.82 0.00 0.00 66.70 65.02 1cg5 h VAL 112 Cb 0.18 2.23 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 1cg5 h VAL 112 CO -0.01 0.67 -2.30 0.59 0.02 0.00 0.00 177.57 176.55 1cg5 n ASN 113 N -3.77 0.10 -4.79 0.57 3.02 -0.87 -4.97 115.26 104.54 1cg5 n ASN 113 Ca -0.03 0.05 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 1cg5 n ASN 113 Cb 0.72 0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 40.75 1cg5 n ASN 113 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1cg5 s LEU 114 N -5.53 4.06 0.19 3.41 1.43 0.57 -4.96 118.68 117.85 1cg5 s LEU 114 Ca -0.09 1.96 -0.09 0.00 -1.03 0.00 0.00 54.13 54.88 1cg5 s LEU 114 Cb 0.06 -4.30 0.10 0.00 0.03 0.00 0.00 46.19 42.09 1cg5 s LEU 114 CO 0.83 -0.52 1.72 -0.61 0.23 0.00 0.00 176.35 178.00 1cg5 h GLN 115 N 2.26 1.07 -4.26 1.70 5.75 -1.91 -3.44 115.11 116.28 1cg5 h GLN 115 Ca -0.49 -0.24 -0.25 0.00 -0.15 0.00 0.00 58.65 57.52 1cg5 h GLN 115 Cb 1.21 -0.15 -0.24 0.00 1.07 0.00 0.00 27.48 29.38 1cg5 h GLN 115 CO 0.62 0.94 -0.73 0.00 -2.65 0.00 0.00 178.83 177.00 1cg5 s ALA 116 N -5.37 0.36 -0.45 3.38 0.00 -1.26 -5.10 121.76 113.32 1cg5 s ALA 116 Ca -0.12 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.40 1cg5 s ALA 116 Cb 0.14 0.03 0.24 0.00 0.00 0.00 0.00 23.12 23.53 1cg5 s ALA 116 CO 0.83 -0.02 0.71 0.34 0.00 0.00 0.00 175.76 177.62 1cg5 n PHE 117 N 2.04 -2.12 -1.27 0.00 7.35 -1.26 -5.05 117.46 117.15 1cg5 n PHE 117 Ca -0.19 -2.50 -0.31 0.00 -0.76 0.00 0.00 57.45 53.68 1cg5 n PHE 117 Cb 0.56 0.76 0.09 0.00 0.35 0.00 0.00 39.48 41.25 1cg5 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cg5 s THR 118 N -0.04 3.12 0.31 -2.13 -4.23 -1.26 -4.76 115.64 106.66 1cg5 s THR 118 Ca 0.33 0.39 0.07 0.00 -1.18 0.00 0.00 61.69 61.30 1cg5 s THR 118 Cb 0.18 -2.83 0.31 0.00 1.34 0.00 0.00 72.50 71.50 1cg5 s THR 118 CO -0.18 -0.45 1.80 -0.65 -0.54 0.00 0.00 174.62 174.60 1cg5 h PRO 119 N -1.02 0.73 -0.36 3.99 0.11 -2.01 -0.90 132.00 132.53 1cg5 h PRO 119 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1cg5 h PRO 119 Cb 1.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1cg5 h PRO 119 CO 0.50 0.49 0.22 0.28 -0.21 0.00 0.00 178.00 179.28 1cg5 h VAL 120 N 0.76 1.13 -0.45 3.15 2.07 -2.00 -0.06 116.25 120.85 1cg5 h VAL 120 Ca 0.55 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 1cg5 h VAL 120 Cb 0.87 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1cg5 h VAL 120 CO -0.34 0.13 0.08 0.74 0.02 0.00 0.00 177.57 178.20 1cg5 h THR 121 N 0.47 1.24 -0.63 2.57 2.02 -1.72 -2.54 112.91 114.32 1cg5 h THR 121 Ca 0.13 -0.89 0.08 0.00 0.77 0.00 0.00 66.41 66.50 1cg5 h THR 121 Cb 0.01 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 67.31 1cg5 h THR 121 CO -0.02 0.31 0.29 -0.74 0.37 0.00 0.00 175.52 175.73 1cg5 h HIS 122 N 0.61 0.52 -0.36 3.16 6.17 -0.92 -1.47 115.15 122.85 1cg5 h HIS 122 Ca 0.14 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.25 1cg5 h HIS 122 Cb 0.37 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.15 1cg5 h HIS 122 CO 0.03 0.19 0.24 0.00 0.71 0.00 0.00 177.93 179.09 1cg5 h ALA 124 N 1.13 0.82 -0.45 0.00 0.00 -0.99 -2.00 119.26 117.78 1cg5 h ALA 124 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1cg5 h ALA 124 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1cg5 h ALA 124 CO -0.03 0.28 0.08 0.28 0.00 0.00 0.00 179.25 179.86 1cg5 h VAL 125 N 0.87 1.24 -0.71 0.00 2.07 -1.03 -2.39 116.25 116.30 1cg5 h VAL 125 Ca 0.23 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1cg5 h VAL 125 Cb -0.06 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1cg5 h VAL 125 CO -0.05 0.30 0.34 -0.78 0.02 0.00 0.00 177.57 177.41 1cg5 h ASP 126 N 0.60 0.91 -0.60 0.57 3.58 -0.90 -0.03 116.42 120.55 1cg5 h ASP 126 Ca 0.14 -0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 1cg5 h ASP 126 Cb 0.36 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1cg5 h ASP 126 CO 0.01 0.77 -0.04 0.11 -2.88 0.00 0.00 179.24 177.21 1cg5 h LYS 127 N 1.01 1.08 -0.12 0.28 1.57 -1.23 -1.31 116.57 117.84 1cg5 h LYS 127 Ca 0.25 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1cg5 h LYS 127 Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1cg5 h LYS 127 CO -0.03 1.07 0.03 0.35 -0.57 0.00 0.00 179.45 180.30 1cg5 h PHE 128 N 0.97 0.21 -0.02 -1.35 3.57 -0.91 -2.31 116.94 117.10 1cg5 h PHE 128 Ca 0.16 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1cg5 h PHE 128 Cb 0.60 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1cg5 h PHE 128 CO 0.04 0.35 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.23 1cg5 h LEU 129 N 0.00 0.03 -0.50 0.59 3.38 -0.91 -1.67 115.31 116.22 1cg5 h LEU 129 Ca 0.04 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1cg5 h LEU 129 Cb 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1cg5 h LEU 129 CO -0.00 0.20 -0.22 -0.08 0.09 0.00 0.00 178.44 178.43 1cg5 h GLU 130 N 0.03 0.99 -0.29 1.13 4.81 -1.00 -1.34 114.58 118.91 1cg5 h GLU 130 Ca 0.01 -0.42 -0.07 0.00 -0.13 0.00 0.00 59.36 58.74 1cg5 h GLU 130 Cb 0.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1cg5 h GLU 130 CO 0.02 1.10 -0.09 -0.07 -0.73 0.00 0.00 179.01 179.24 1cg5 h LEU 131 N 0.85 0.59 -0.62 1.64 3.38 -0.85 -2.03 115.31 118.27 1cg5 h LEU 131 Ca 0.11 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1cg5 h LEU 131 Cb 0.80 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1cg5 h LEU 131 CO 0.07 0.84 0.39 0.58 0.09 0.00 0.00 178.44 180.40 1cg5 h VAL 132 N 0.34 1.10 -0.77 1.22 2.07 -1.24 -0.68 116.25 118.29 1cg5 h VAL 132 Ca 0.07 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1cg5 h VAL 132 Cb 0.59 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1cg5 h VAL 132 CO 0.03 0.14 0.33 0.00 0.02 0.00 0.00 177.57 178.10 1cg5 h ALA 133 N 1.26 1.15 -0.15 1.67 0.00 -1.16 -0.85 119.26 121.18 1cg5 h ALA 133 Ca 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1cg5 h ALA 133 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1cg5 h ALA 133 CO -0.09 0.63 0.03 -0.92 0.00 0.00 0.00 179.25 178.90 1cg5 h TYR 134 N 1.10 0.26 -0.76 0.00 3.20 -0.83 -2.61 116.97 117.33 1cg5 h TYR 134 Ca 0.26 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1cg5 h TYR 134 Cb 0.16 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1cg5 h TYR 134 CO 0.02 0.41 0.30 0.93 -1.64 0.00 0.00 178.16 178.17 1cg5 h GLU 135 N 0.04 1.14 0.00 1.82 4.39 -0.92 -2.34 114.58 118.71 1cg5 h GLU 135 Ca 0.05 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1cg5 h GLU 135 Cb 0.29 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1cg5 h GLU 135 CO 0.00 0.93 0.00 1.28 -1.16 0.00 0.00 179.01 180.06 1cg5 n LEU 136 N -4.28 0.37 -0.95 1.33 4.77 -0.34 -2.35 117.00 115.55 1cg5 n LEU 136 Ca 0.07 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.74 1cg5 n LEU 136 Cb 0.19 -0.52 0.13 0.00 -2.33 0.00 0.00 43.42 40.89 1cg5 n LEU 136 CO 0.41 -0.36 0.63 -1.20 -1.33 0.00 0.00 177.39 175.53 1cg5 n SER 137 N -1.90 3.03 0.08 -1.43 7.64 -0.90 -4.61 113.62 115.53 1cg5 n SER 137 Ca 0.03 -1.93 0.11 0.00 1.01 0.00 0.00 58.87 58.10 1cg5 n SER 137 Cb 0.23 -0.09 0.45 0.00 -1.01 0.00 0.00 64.21 63.79 1cg5 n SER 137 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1cg5 n SER 138 N 1.29 0.48 -1.39 6.43 3.41 -0.99 -3.85 113.62 118.99 1cg5 n SER 138 Ca 0.15 0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 59.26 1cg5 n SER 138 Cb 0.56 -0.70 0.11 0.00 -0.26 0.00 0.00 64.21 63.91 1cg5 n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cg5 n TYR 140 N -0.86 0.89 -1.76 0.00 4.02 -1.25 -4.13 117.16 114.06 1cg5 n TYR 140 Ca 0.30 0.29 0.00 0.00 -0.01 0.00 0.00 57.90 58.48 1cg5 n TYR 140 Cb 0.84 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 1cg5 n TYR 140 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74