#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imo s LEU 3 N 0.00 4.17 -0.31 0.00 2.96 0.30 -4.89 118.68 120.92 3imo s LEU 3 Ca 0.00 1.40 -0.17 0.00 -0.22 0.00 0.00 54.13 55.14 3imo s LEU 3 Cb 0.00 -3.49 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 3imo s LEU 3 CO 0.00 -0.53 0.47 -0.89 -1.32 0.00 0.00 176.35 174.08 3imo s THR 4 N 2.54 5.07 -1.01 3.68 2.01 -1.26 -0.78 115.64 125.89 3imo s THR 4 Ca 0.45 0.50 -0.23 0.00 0.31 0.00 0.00 61.69 62.72 3imo s THR 4 Cb -0.17 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.51 3imo s THR 4 CO 0.12 -0.05 1.55 -0.69 -0.69 0.00 0.00 174.62 174.86 3imo s VAL 5 N 2.28 3.84 -0.47 3.82 1.01 0.16 -4.78 120.40 126.26 3imo s VAL 5 Ca 0.18 -0.73 0.23 0.00 0.00 0.00 0.00 61.98 61.65 3imo s VAL 5 Cb -0.16 -4.88 -0.14 0.00 0.00 0.00 0.00 36.38 31.20 3imo s VAL 5 CO 0.11 -1.76 0.92 0.29 0.00 0.00 0.00 175.10 174.66 3imo n LYS 6 N 8.86 0.39 -3.88 2.72 5.02 -1.26 -4.09 118.16 125.92 3imo n LYS 6 Ca 0.35 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.54 3imo n LYS 6 Cb 0.50 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 3imo n LYS 6 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3imo s ASP 7 N -4.20 -0.18 0.38 4.39 1.47 -1.26 -5.05 116.67 112.22 3imo s ASP 7 Ca 0.01 -0.74 0.10 0.00 1.18 0.00 0.00 52.55 53.10 3imo s ASP 7 Cb 0.14 0.72 0.77 0.00 -0.34 0.00 0.00 42.92 44.20 3imo s ASP 7 CO 0.82 -1.35 1.90 0.58 0.68 0.00 0.00 175.17 177.80 3imo h VAL 8 N 2.04 1.19 0.20 2.11 2.07 -1.98 -1.41 116.25 120.47 3imo h VAL 8 Ca -0.22 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3imo h VAL 8 Cb 1.25 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3imo h VAL 8 CO 0.27 0.26 -0.17 -1.13 0.02 0.00 0.00 177.57 176.83 3imo h ASN 9 N 0.20 -0.44 -0.26 0.57 -1.24 -2.00 -0.85 115.58 111.56 3imo h ASN 9 Ca 0.04 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 3imo h ASN 9 Cb 0.42 0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.60 3imo h ASN 9 CO 0.03 -0.26 -0.02 0.40 -1.29 0.00 0.00 177.43 176.29 3imo h ILE 10 N -0.38 1.21 -0.47 2.57 2.04 -1.90 -2.36 117.51 118.22 3imo h ILE 10 Ca -0.01 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 3imo h ILE 10 Cb 0.35 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3imo h ILE 10 CO -0.02 0.30 0.13 0.25 0.00 0.00 0.00 178.15 178.81 3imo h LEU 11 N 0.56 0.70 -0.53 1.44 5.85 -0.81 0.10 115.31 122.62 3imo h LEU 11 Ca 0.11 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3imo h LEU 11 Cb 0.38 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3imo h LEU 11 CO 0.01 0.74 -0.01 0.28 -0.34 0.00 0.00 178.44 179.12 3imo h SER 12 N 0.63 0.92 -0.91 1.25 0.02 -0.99 -0.94 113.55 113.53 3imo h SER 12 Ca 0.15 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3imo h SER 12 Cb 0.30 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3imo h SER 12 CO -0.00 1.00 0.52 1.56 -1.14 0.00 0.00 176.83 178.77 3imo h GLN 13 N 0.80 1.25 -0.20 3.45 4.20 -1.15 0.18 115.11 123.66 3imo h GLN 13 Ca 0.15 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3imo h GLN 13 Cb 0.54 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3imo h GLN 13 CO 0.03 0.90 -0.04 -0.92 -0.67 0.00 0.00 178.83 178.12 3imo h TYR 14 N 1.26 0.43 -0.84 2.96 3.20 -0.44 -0.99 116.97 122.55 3imo h TYR 14 Ca 0.32 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3imo h TYR 14 Cb -0.00 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3imo h TYR 14 CO 0.01 0.63 0.51 0.82 -1.64 0.00 0.00 178.16 178.49 3imo h ILE 15 N 0.10 1.23 -0.89 1.81 2.04 -1.04 -0.65 117.51 120.13 3imo h ILE 15 Ca 0.05 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3imo h ILE 15 Cb 0.49 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3imo h ILE 15 CO 0.02 0.24 0.54 0.28 0.00 0.00 0.00 178.15 179.23 3imo h SER 16 N 1.16 1.06 -0.36 1.72 0.02 -0.77 -0.40 113.55 115.97 3imo h SER 16 Ca 0.30 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3imo h SER 16 Cb -0.05 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 3imo h SER 16 CO -0.06 0.81 0.10 1.23 -1.14 0.00 0.00 176.83 177.77 3imo h GLY 17 N 1.23 0.60 0.84 -3.77 0.00 -0.31 -0.22 103.07 101.43 3imo h GLY 17 Ca 0.32 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.31 3imo h GLY 17 CO -0.06 0.34 0.04 -2.08 0.00 0.00 0.00 176.54 174.78 3imo h VAL 18 N 0.43 0.94 -0.58 4.60 2.07 -0.58 -1.53 116.25 121.60 3imo h VAL 18 Ca 0.11 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 3imo h VAL 18 Cb 0.27 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3imo h VAL 18 CO -0.00 0.02 0.07 0.24 0.02 0.00 0.00 177.57 177.92 3imo h MET 19 N 0.11 0.94 -0.74 1.57 2.86 -0.88 -0.27 114.93 118.53 3imo h MET 19 Ca 0.07 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 3imo h MET 19 Cb 0.06 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3imo h MET 19 CO -0.09 0.88 0.34 0.00 1.06 0.00 0.00 176.91 179.10 3imo h ALA 20 N 1.19 0.95 -0.28 6.32 0.00 -0.82 -1.44 119.26 125.19 3imo h ALA 20 Ca 0.18 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3imo h ALA 20 Cb 0.42 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3imo h ALA 20 CO 0.01 0.53 -0.52 0.00 0.00 0.00 0.00 179.25 179.28 3imo h ARG 21 N 1.04 0.80 -0.49 0.00 3.08 -0.89 -2.78 114.38 115.14 3imo h ARG 21 Ca 0.25 -0.49 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 3imo h ARG 21 Cb 0.14 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3imo h ARG 21 CO -0.03 1.12 -0.07 0.00 -1.07 0.00 0.00 179.97 179.92 3imo h ALA 22 N 0.78 0.67 -0.55 0.04 0.00 -0.91 -0.94 119.26 118.36 3imo h ALA 22 Ca 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3imo h ALA 22 Cb 1.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3imo h ALA 22 CO 0.11 0.54 0.34 0.22 0.00 0.00 0.00 179.25 180.46 3imo h ASP 23 N 0.77 0.65 -0.00 0.00 3.58 -1.24 -0.06 116.42 120.11 3imo h ASP 23 Ca 0.13 -0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.39 3imo h ASP 23 Cb 0.61 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.51 3imo h ASP 23 CO 0.04 0.50 -0.58 0.45 -2.88 0.00 0.00 179.24 176.77 3imo h HIS 24 N 0.74 0.59 0.00 0.28 3.86 -1.34 -3.42 115.15 115.86 3imo h HIS 24 Ca 0.20 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3imo h HIS 24 Cb -0.04 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3imo h HIS 24 CO -0.03 1.14 -0.13 0.72 0.86 0.00 0.00 177.93 180.49 3imo n HIS 25 N -4.24 0.00 -3.17 2.45 8.25 -0.37 -4.88 115.22 113.27 3imo n HIS 25 Ca -0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.15 3imo n HIS 25 Cb 0.66 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.73 3imo n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3imo n ALA 26 N -0.61 2.04 0.31 -1.41 0.00 -0.36 -4.96 120.51 115.51 3imo n ALA 26 Ca 0.00 -3.31 0.19 0.00 0.00 0.00 0.00 53.44 50.32 3imo n ALA 26 Cb 0.00 -0.89 0.96 0.00 0.00 0.00 0.00 19.45 19.52 3imo n ALA 26 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3imo h GLY 27 N 3.46 0.00 0.86 0.00 0.00 -1.32 -2.86 103.07 103.22 3imo h GLY 27 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3imo h GLY 27 CO 0.47 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.00 3imo n ASN 28 N -3.26 0.00 0.00 0.19 4.05 -1.26 -3.00 115.26 111.98 3imo n ASN 28 Ca -0.02 -1.10 0.00 0.00 0.45 0.00 0.00 54.58 53.91 3imo n ASN 28 Cb 0.17 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.18 3imo n ASN 28 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 3imo n VAL 29 N -0.93 0.32 -0.03 3.44 0.24 -1.08 -0.96 118.33 119.33 3imo n VAL 29 Ca 0.20 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 62.08 3imo n VAL 29 Cb 0.09 1.03 0.31 0.00 -1.47 0.00 0.00 33.84 33.80 3imo n VAL 29 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3imo h GLU 30 N 0.00 0.59 0.10 7.34 4.81 -1.61 -1.86 114.58 123.95 3imo h GLU 30 Ca 0.00 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 3imo h GLU 30 Cb 0.53 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.83 3imo h GLU 30 CO 0.00 0.53 -0.66 0.93 -0.73 0.00 0.00 179.01 179.09 3imo h GLU 31 N 0.58 0.22 0.00 1.92 5.08 -1.89 -3.31 114.58 117.17 3imo h GLU 31 Ca 0.14 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3imo h GLU 31 Cb 0.21 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3imo h GLU 31 CO -0.01 1.18 -0.11 0.97 -1.00 0.00 0.00 179.01 180.04 3imo h ILE 32 N -0.54 0.43 -0.83 3.13 6.09 -1.81 -2.81 117.51 121.17 3imo h ILE 32 Ca -0.12 -0.57 0.02 0.00 -1.37 0.00 0.00 64.86 62.82 3imo h ILE 32 Cb 1.48 1.40 -0.05 0.00 0.47 0.00 0.00 36.82 40.13 3imo h ILE 32 CO 0.10 0.11 0.54 0.00 -3.07 0.00 0.00 178.15 175.83 3imo h ALA 33 N 1.89 1.08 -0.57 0.18 0.00 -1.42 0.15 119.26 120.56 3imo h ALA 33 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3imo h ALA 33 Cb 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3imo h ALA 33 CO 0.01 0.42 0.20 -0.07 0.00 0.00 0.00 179.25 179.81 3imo h LEU 34 N 1.09 0.82 -0.59 0.00 3.38 -1.65 0.17 115.31 118.52 3imo h LEU 34 Ca 0.32 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3imo h LEU 34 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3imo h LEU 34 CO -0.09 0.79 -0.26 0.00 0.09 0.00 0.00 178.44 178.97 3imo h ALA 35 N 1.06 0.78 -0.75 1.53 0.00 -1.49 -1.98 119.26 118.41 3imo h ALA 35 Ca 0.19 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3imo h ALA 35 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3imo h ALA 35 CO -0.01 0.65 0.31 -0.07 0.00 0.00 0.00 179.25 180.13 3imo h LEU 36 N 0.72 1.01 0.01 0.00 3.38 -0.48 -0.36 115.31 119.58 3imo h LEU 36 Ca 0.09 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3imo h LEU 36 Cb 0.80 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3imo h LEU 36 CO 0.07 0.89 -0.05 0.00 0.09 0.00 0.00 178.44 179.44 3imo h ALA 37 N 1.26 -0.05 -0.73 1.53 0.00 -0.63 -0.34 119.26 120.29 3imo h ALA 37 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3imo h ALA 37 Cb 0.19 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3imo h ALA 37 CO -0.02 -0.54 0.42 0.78 0.00 0.00 0.00 179.25 179.88 3imo h GLY 38 N -0.09 1.10 1.15 0.00 0.00 -1.03 -2.03 103.07 102.17 3imo h GLY 38 Ca 0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 3imo h GLY 38 CO -0.05 0.17 -0.13 0.00 0.00 0.00 0.00 176.54 176.53 3imo h ALA 39 N 1.38 0.79 -0.36 3.60 0.00 -0.65 0.38 119.26 124.39 3imo h ALA 39 Ca 0.33 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3imo h ALA 39 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3imo h ALA 39 CO -0.19 0.67 -0.34 0.82 0.00 0.00 0.00 179.25 180.20 3imo h ILE 40 N 0.87 1.28 -0.11 0.00 2.04 -0.82 -2.25 117.51 118.53 3imo h ILE 40 Ca 0.13 -1.50 -0.16 0.00 1.00 0.00 0.00 64.86 64.33 3imo h ILE 40 Cb 0.69 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3imo h ILE 40 CO 0.05 0.50 -0.62 -0.07 0.00 0.00 0.00 178.15 178.00 3imo h LEU 41 N 0.68 0.43 -0.19 1.44 3.38 -1.22 -2.07 115.31 117.76 3imo h LEU 41 Ca 0.07 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3imo h LEU 41 Cb 0.89 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3imo h LEU 41 CO 0.08 0.95 -0.03 -0.25 0.09 0.00 0.00 178.44 179.28 3imo h TRP 42 N 0.28 -0.06 -0.01 1.13 7.01 -0.68 -3.32 115.95 120.29 3imo h TRP 42 Ca -0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3imo h TRP 42 Cb 1.16 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 3imo h TRP 42 CO 0.03 -0.06 -0.42 0.54 -2.79 0.00 0.00 178.44 175.74 3imo n ARG 43 N -5.17 1.44 -2.09 2.65 5.12 -0.87 -5.01 116.66 112.74 3imo n ARG 43 Ca -0.03 -0.86 -0.37 0.00 -1.93 0.00 0.00 57.85 54.66 3imo n ARG 43 Cb 0.11 -1.37 0.01 0.00 -1.16 0.00 0.00 32.46 30.05 3imo n ARG 43 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3imo s LYS 44 N -2.20 3.41 0.42 5.56 -2.85 -0.79 -4.37 119.74 118.93 3imo s LYS 44 Ca 0.15 1.89 -0.07 0.00 -1.00 0.00 0.00 55.97 56.94 3imo s LYS 44 Cb 0.15 -2.24 0.10 0.00 -2.06 0.00 0.00 37.83 33.78 3imo s LYS 44 CO 0.50 -0.87 0.39 -0.25 0.10 0.00 0.00 175.35 175.22 3imo n ASP 45 N -0.91 -1.20 0.20 0.03 9.92 0.25 -4.95 116.55 119.90 3imo n ASP 45 Ca 0.10 -0.79 0.14 0.00 -0.53 0.00 0.00 54.79 53.71 3imo n ASP 45 Cb 0.48 -0.35 0.45 0.00 -0.64 0.00 0.00 41.12 41.05 3imo n ASP 45 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3imo h ASP 46 N -1.47 0.00 -3.80 -2.24 3.32 -1.97 -3.45 116.42 106.80 3imo h ASP 46 Ca -0.14 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.36 3imo h ASP 46 Cb 0.44 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.10 3imo h ASP 46 CO 0.10 0.00 0.72 0.41 -1.72 0.00 0.00 179.24 178.74 3imo n THR 47 N -2.80 2.06 -2.16 0.35 -1.04 -1.26 -4.93 114.28 104.49 3imo n THR 47 Ca 0.03 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.17 3imo n THR 47 Cb 0.38 -1.89 0.01 0.00 -1.82 0.00 0.00 70.33 67.01 3imo n THR 47 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3imo s ASN 48 N -0.19 5.81 0.35 8.00 0.01 -1.26 -4.80 114.94 122.85 3imo s ASN 48 Ca 0.54 2.34 -0.27 0.00 -0.71 0.00 0.00 52.86 54.76 3imo s ASN 48 Cb -0.49 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 38.48 3imo s ASN 48 CO 0.63 -1.17 1.16 -0.63 -1.51 0.00 0.00 177.10 175.58 3imo s ILE 49 N -1.58 3.23 -0.02 0.60 1.01 -1.26 -4.87 121.20 118.31 3imo s ILE 49 Ca 0.69 1.12 0.02 0.00 0.00 0.00 0.00 60.65 62.49 3imo s ILE 49 Cb -0.29 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3imo s ILE 49 CO 0.34 0.19 -0.08 -0.75 0.00 0.00 0.00 174.94 174.64 3imo s LYS 50 N -1.94 0.83 -0.16 2.79 2.20 -1.00 -0.67 119.74 121.78 3imo s LYS 50 Ca 0.51 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.85 3imo s LYS 50 Cb -0.32 -0.79 -0.00 0.00 -1.51 0.00 0.00 37.83 35.21 3imo s LYS 50 CO 0.41 0.11 -0.13 0.08 -0.36 0.00 0.00 175.35 175.46 3imo s VAL 51 N 0.13 2.83 0.28 4.02 1.01 0.04 -0.43 120.40 128.28 3imo s VAL 51 Ca -0.02 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.35 3imo s VAL 51 Cb -0.07 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3imo s VAL 51 CO 0.00 0.50 -0.14 -0.04 0.00 0.00 0.00 175.10 175.42 3imo s MET 52 N 0.87 1.63 0.04 2.72 1.00 -0.05 -0.54 119.30 124.98 3imo s MET 52 Ca -0.04 -1.78 -0.05 0.00 0.00 0.00 0.00 55.69 53.82 3imo s MET 52 Cb -0.15 -1.55 -0.01 0.00 0.00 0.00 0.00 34.83 33.12 3imo s MET 52 CO -0.00 0.21 0.08 0.00 0.00 0.00 0.00 175.02 175.31 3imo s ALA 53 N -2.69 0.00 0.00 3.03 0.00 -1.26 -1.16 121.76 119.68 3imo s ALA 53 Ca 0.29 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3imo s ALA 53 Cb -0.01 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3imo s ALA 53 CO 0.13 -0.32 0.00 1.63 0.00 0.00 0.00 175.76 177.21 3imo n LYS 59 N 0.73 0.00 -2.26 0.00 4.76 -1.26 -4.97 118.16 115.15 3imo n LYS 59 Ca -0.19 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.91 3imo n LYS 59 Cb 0.59 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.77 3imo n LYS 59 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3imo s ASN 60 N 0.00 5.88 -0.08 4.39 0.01 -1.26 -5.07 114.94 118.81 3imo s ASN 60 Ca 0.00 2.00 0.03 0.00 -0.71 0.00 0.00 52.86 54.19 3imo s ASN 60 Cb 0.00 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.10 3imo s ASN 60 CO 0.00 -1.10 -0.18 -0.69 -1.51 0.00 0.00 177.10 173.62 3imo s VAL 61 N -2.03 1.58 -0.23 1.60 1.01 -0.31 -4.54 120.40 117.48 3imo s VAL 61 Ca 0.68 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 3imo s VAL 61 Cb -0.19 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3imo s VAL 61 CO 0.28 0.45 0.28 -0.22 0.00 0.00 0.00 175.10 175.89 3imo s LEU 62 N 0.48 4.11 -0.13 3.92 0.20 0.04 -0.87 118.68 126.43 3imo s LEU 62 Ca -0.16 0.27 -0.04 0.00 0.69 0.00 0.00 54.13 54.89 3imo s LEU 62 Cb -0.17 -2.30 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 3imo s LEU 62 CO 0.06 -0.03 0.01 0.26 -0.29 0.00 0.00 176.35 176.36 3imo s TRP 63 N 1.35 3.17 0.02 5.38 0.52 0.43 -0.65 118.94 129.16 3imo s TRP 63 Ca 0.13 0.05 -0.00 0.00 0.02 0.00 0.00 56.10 56.29 3imo s TRP 63 Cb -0.14 -1.92 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 3imo s TRP 63 CO 0.07 0.26 -0.02 0.54 0.02 0.00 0.00 176.95 177.82 3imo s VAL 64 N -0.23 0.10 -0.18 4.03 0.11 -0.75 -2.37 120.40 121.12 3imo s VAL 64 Ca 0.06 -0.82 -0.04 0.00 -2.93 0.00 0.00 61.98 58.24 3imo s VAL 64 Cb -0.12 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3imo s VAL 64 CO 0.02 -0.45 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.43 3imo s THR 65 N -1.33 3.91 -0.06 5.04 2.01 -1.26 -0.66 115.64 123.29 3imo s THR 65 Ca -0.15 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.54 3imo s THR 65 Cb -0.09 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.69 3imo s THR 65 CO -0.01 0.46 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.63 3imo s ILE 66 N 0.70 1.11 -1.76 1.82 1.01 -0.16 -0.58 121.20 123.35 3imo s ILE 66 Ca -0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 3imo s ILE 66 Cb -0.14 -1.02 0.15 0.00 0.01 0.00 0.00 42.46 41.47 3imo s ILE 66 CO 0.02 0.35 0.39 -3.20 0.00 0.00 0.00 174.94 172.50 3imo n ASN 67 N 3.78 -0.84 0.00 3.58 5.15 -1.26 -0.92 115.26 124.75 3imo n ASN 67 Ca -0.23 -1.25 0.00 0.00 -0.60 0.00 0.00 54.58 52.50 3imo n ASN 67 Cb 0.52 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 3imo n ASN 67 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3imo n GLY 68 N -1.59 0.40 2.98 8.20 0.00 -1.26 -5.05 105.19 108.87 3imo n GLY 68 Ca -0.04 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 3imo n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imo s GLU 69 N -1.98 0.54 -0.03 1.61 0.41 -0.10 -5.14 118.70 114.01 3imo s GLU 69 Ca 0.00 -0.24 -0.19 0.00 -0.41 0.00 0.00 54.97 54.13 3imo s GLU 69 Cb 0.00 -0.52 -0.05 0.00 -1.78 0.00 0.00 34.13 31.77 3imo s GLU 69 CO 0.00 0.14 0.52 1.03 -0.49 0.00 0.00 175.26 176.47 3imo s ARG 70 N -0.16 4.24 -0.06 1.61 0.52 -1.26 -0.99 118.95 122.85 3imo s ARG 70 Ca 0.03 0.59 0.04 0.00 -0.52 0.00 0.00 55.73 55.86 3imo s ARG 70 Cb -0.03 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.11 3imo s ARG 70 CO -0.00 0.39 -0.17 0.71 0.02 0.00 0.00 175.30 176.24 3imo s TYR 71 N -0.19 1.79 -0.17 -0.53 2.02 0.16 0.03 117.35 120.46 3imo s TYR 71 Ca 0.28 -0.58 -0.05 0.00 -0.37 0.00 0.00 57.07 56.35 3imo s TYR 71 Cb -0.17 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3imo s TYR 71 CO 0.15 -0.23 -0.01 0.00 -1.57 0.00 0.00 175.55 173.88 3imo s ALA 72 N 0.23 3.05 -0.11 3.71 0.00 0.03 -1.81 121.76 126.86 3imo s ALA 72 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3imo s ALA 72 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 3imo s ALA 72 CO 0.04 0.08 -0.12 -0.06 0.00 0.00 0.00 175.76 175.69 3imo s PHE 73 N 0.59 2.82 0.06 0.00 0.08 0.18 -0.74 117.98 120.97 3imo s PHE 73 Ca -0.01 -0.48 -0.21 0.00 0.12 0.00 0.00 56.93 56.34 3imo s PHE 73 Cb -0.14 -1.81 0.05 0.00 -0.57 0.00 0.00 43.02 40.55 3imo s PHE 73 CO 0.02 -0.09 0.49 -1.54 -0.10 0.00 0.00 175.22 174.00 3imo s SER 74 N 0.08 -0.40 -0.01 1.36 1.04 -0.79 -0.78 113.70 114.21 3imo s SER 74 Ca -0.05 0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.30 3imo s SER 74 Cb -0.14 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 3imo s SER 74 CO 0.04 -0.73 0.48 -0.47 0.98 0.00 0.00 173.24 173.54 3imo s TYR 75 N -2.62 3.70 -0.35 5.02 5.04 -1.26 -0.45 117.35 126.43 3imo s TYR 75 Ca -0.04 1.06 -0.05 0.00 -2.44 0.00 0.00 57.07 55.59 3imo s TYR 75 Cb -0.00 -2.42 0.06 0.00 0.35 0.00 0.00 41.96 39.94 3imo s TYR 75 CO -0.03 0.51 0.12 1.21 -1.34 0.00 0.00 175.55 176.02 3imo s ASN 76 N -0.65 5.25 0.45 4.32 3.84 -0.06 -4.97 114.94 123.12 3imo s ASN 76 Ca 0.26 -1.39 0.14 0.00 0.21 0.00 0.00 52.86 52.08 3imo s ASN 76 Cb -0.17 -1.84 0.99 0.00 -0.55 0.00 0.00 41.25 39.68 3imo s ASN 76 CO 0.14 -0.38 2.00 0.45 -2.79 0.00 0.00 177.10 176.52 3imo h HIS 77 N 8.17 0.06 -0.16 0.43 3.86 -1.97 0.37 115.15 125.90 3imo h HIS 77 Ca -0.21 -0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.84 3imo h HIS 77 Cb 1.07 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.53 3imo h HIS 77 CO 0.59 0.19 -0.53 1.03 0.86 0.00 0.00 177.93 180.08 3imo h SER 78 N 0.05 0.75 0.21 2.45 0.87 -1.96 -3.24 113.55 112.68 3imo h SER 78 Ca 0.01 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 3imo h SER 78 Cb 0.28 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3imo h SER 78 CO 0.02 1.22 -0.99 -1.54 -0.53 0.00 0.00 176.83 175.01 3imo n SER 79 N -4.16 0.72 -3.76 6.23 3.41 -1.17 -4.98 113.62 109.91 3imo n SER 79 Ca -0.07 -0.56 -0.23 0.00 -0.26 0.00 0.00 58.87 57.74 3imo n SER 79 Cb 0.61 0.88 0.03 0.00 -0.26 0.00 0.00 64.21 65.47 3imo n SER 79 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3imo n GLU 80 N -1.68 -4.97 -4.35 4.33 1.02 0.13 -5.02 120.64 110.10 3imo n GLU 80 Ca 0.03 0.61 -0.26 0.00 -0.02 0.00 0.00 57.16 57.51 3imo n GLU 80 Cb 0.38 -5.21 -0.13 0.00 -0.02 0.00 0.00 31.44 26.46 3imo n GLU 80 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3imo s LYS 81 N -6.14 1.30 -0.15 3.49 -0.14 -1.13 -4.72 119.74 112.25 3imo s LYS 81 Ca 0.14 -1.30 -0.22 0.00 -1.36 0.00 0.00 55.97 53.22 3imo s LYS 81 Cb -0.07 -1.66 -0.03 0.00 -1.68 0.00 0.00 37.83 34.40 3imo s LYS 81 CO 0.82 0.38 0.68 0.42 -0.76 0.00 0.00 175.35 176.89 3imo s ILE 82 N -1.24 5.01 -0.08 2.17 1.01 -0.28 -0.88 121.20 126.90 3imo s ILE 82 Ca 0.12 1.32 -0.04 0.00 0.00 0.00 0.00 60.65 62.05 3imo s ILE 82 Cb -0.09 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3imo s ILE 82 CO 0.06 0.14 0.08 -1.61 0.00 0.00 0.00 174.94 173.61 3imo s GLU 83 N 1.59 3.21 -0.16 2.79 2.02 0.40 -0.63 118.70 127.93 3imo s GLU 83 Ca 0.33 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 55.03 3imo s GLU 83 Cb -0.16 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.09 3imo s GLU 83 CO 0.13 0.73 -0.19 1.41 0.02 0.00 0.00 175.26 177.36 3imo s MET 84 N -1.13 3.08 0.11 1.61 -2.45 -0.13 -1.88 119.30 118.51 3imo s MET 84 Ca 0.16 -0.81 0.10 0.00 -1.25 0.00 0.00 55.69 53.90 3imo s MET 84 Cb -0.12 -2.56 -0.04 0.00 1.25 0.00 0.00 34.83 33.37 3imo s MET 84 CO 0.06 -0.08 -0.26 1.03 1.05 0.00 0.00 175.02 176.82 3imo s ARG 85 N 1.00 1.43 -0.29 4.11 0.52 0.08 -0.80 118.95 125.01 3imo s ARG 85 Ca -0.02 -1.27 -0.05 0.00 -0.52 0.00 0.00 55.73 53.86 3imo s ARG 85 Cb -0.15 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.51 3imo s ARG 85 CO -0.05 0.44 0.05 0.21 0.02 0.00 0.00 175.30 175.98 3imo s LYS 86 N -1.87 2.91 0.00 3.54 2.20 -1.26 -0.79 119.74 124.48 3imo s LYS 86 Ca 0.12 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 3imo s LYS 86 Cb -0.10 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3imo s LYS 86 CO 0.05 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 3imo n GLY 87 N 4.80 1.61 3.21 5.54 0.00 0.10 -4.95 105.19 115.51 3imo n GLY 87 Ca -0.14 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 3imo n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imo s ASN 88 N -4.00 2.44 0.18 1.61 4.22 -1.26 -4.83 114.94 113.29 3imo s ASN 88 Ca 0.00 -0.38 0.12 0.00 -2.14 0.00 0.00 52.86 50.45 3imo s ASN 88 Cb 0.00 -0.39 0.64 0.00 1.28 0.00 0.00 41.25 42.78 3imo s ASN 88 CO 0.00 0.23 1.35 0.00 -2.04 0.00 0.00 177.10 176.65 3imo n ILE 89 N 2.72 1.43 -2.31 0.54 0.13 -1.26 -3.20 119.36 117.40 3imo n ILE 89 Ca -0.16 0.63 -0.41 0.00 -1.10 0.00 0.00 62.75 61.72 3imo n ILE 89 Cb 0.53 -1.63 0.01 0.00 -0.84 0.00 0.00 39.64 37.70 3imo n ILE 89 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3imo n GLN 90 N -1.91 4.93 -2.74 9.51 6.02 -1.26 -4.90 117.38 127.03 3imo n GLN 90 Ca -0.01 -4.01 -0.02 0.00 -0.01 0.00 0.00 57.00 52.94 3imo n GLN 90 Cb 0.03 -2.57 0.01 0.00 1.02 0.00 0.00 30.24 28.74 3imo n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3imo n GLY 91 N 0.99 1.03 3.81 1.08 0.00 -1.20 -5.17 105.19 105.74 3imo n GLY 91 Ca 0.54 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3imo n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3imo s ASN 92 N -2.32 6.60 0.46 1.61 0.02 -1.26 -5.03 114.94 115.02 3imo s ASN 92 Ca 0.12 1.82 -0.23 0.00 -1.02 0.00 0.00 52.86 53.55 3imo s ASN 92 Cb -0.02 -2.55 -0.08 0.00 0.02 0.00 0.00 41.25 38.63 3imo s ASN 92 CO 0.04 -0.60 1.13 0.42 0.02 0.00 0.00 177.10 178.11 3imo s THR 93 N -2.09 3.27 -0.11 1.60 -4.23 -1.26 -4.58 115.64 108.24 3imo s THR 93 Ca 0.65 0.92 0.19 0.00 -1.18 0.00 0.00 61.69 62.27 3imo s THR 93 Cb -0.13 -3.45 -0.28 0.00 1.34 0.00 0.00 72.50 69.98 3imo s THR 93 CO 0.17 -0.04 0.26 2.30 -0.54 0.00 0.00 174.62 176.77 3imo n ILE 94 N -0.54 0.67 -3.81 2.99 -5.35 0.02 -4.98 119.36 108.35 3imo n ILE 94 Ca 0.08 -0.64 -0.12 0.00 -0.27 0.00 0.00 62.75 61.79 3imo n ILE 94 Cb 0.49 -0.24 -0.09 0.00 -1.74 0.00 0.00 39.64 38.07 3imo n ILE 94 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3imo s HIS 95 N -2.94 -0.05 -0.03 4.28 3.76 -1.18 -5.04 115.29 114.09 3imo s HIS 95 Ca -0.08 -0.02 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 3imo s HIS 95 Cb 0.09 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.80 3imo s HIS 95 CO 0.82 -0.39 -0.16 -1.21 -0.85 0.00 0.00 174.74 172.96 3imo s GLU 96 N -1.81 1.48 0.01 1.40 2.02 -1.26 -0.96 118.70 119.57 3imo s GLU 96 Ca -0.11 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.40 3imo s GLU 96 Cb -0.04 -1.35 -0.02 0.00 0.10 0.00 0.00 34.13 32.82 3imo s GLU 96 CO 0.01 0.27 -0.22 -0.06 0.02 0.00 0.00 175.26 175.27 3imo s PHE 97 N -0.11 2.00 0.00 1.61 0.08 0.20 -4.96 117.98 116.80 3imo s PHE 97 Ca 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3imo s PHE 97 Cb -0.09 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 3imo s PHE 97 CO 0.01 0.02 0.00 -0.40 -0.10 0.00 0.00 175.22 174.74 3imo n ASP 98 N 2.27 0.00 0.23 1.36 5.68 -1.26 -1.12 116.55 123.70 3imo n ASP 98 Ca -0.16 -0.88 0.16 0.00 -0.50 0.00 0.00 54.79 53.40 3imo n ASP 98 Cb 0.52 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.26 3imo n ASP 98 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3imo h ASN 99 N 0.00 0.00 0.78 -1.12 2.35 -1.36 -1.03 115.58 115.20 3imo h ASN 99 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3imo h ASN 99 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3imo h ASN 99 CO 0.00 0.00 -0.30 -1.20 -1.65 0.00 0.00 177.43 174.28 3imo n SER 100 N -2.64 0.36 -4.67 5.81 7.64 -1.26 -4.85 113.62 114.01 3imo n SER 100 Ca -0.01 0.11 -0.42 0.00 1.01 0.00 0.00 58.87 59.56 3imo n SER 100 Cb 0.15 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3imo n SER 100 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3imo s THR 101 N -3.02 3.49 0.30 0.44 2.01 -0.39 -4.96 115.64 113.50 3imo s THR 101 Ca 0.12 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.51 3imo s THR 101 Cb 0.17 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 69.13 3imo s THR 101 CO 0.63 -0.05 1.41 -2.84 -0.69 0.00 0.00 174.62 173.09 3imo s PRO 102 N 3.67 4.26 0.49 4.92 0.02 -1.26 -4.90 135.00 142.20 3imo s PRO 102 Ca 0.73 2.33 0.14 0.00 0.02 0.00 0.00 61.00 64.22 3imo s PRO 102 Cb -0.34 -3.07 1.17 0.00 0.02 0.00 0.00 34.50 32.27 3imo s PRO 102 CO 0.30 -0.37 2.13 -0.07 -0.33 0.00 0.00 177.00 178.66 3imo h LEU 103 N 4.12 0.12 -0.90 -5.54 3.38 -1.97 -0.42 115.31 114.10 3imo h LEU 103 Ca -0.48 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.53 3imo h LEU 103 Cb 1.22 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 3imo h LEU 103 CO 0.71 0.09 0.58 0.77 0.09 0.00 0.00 178.44 180.68 3imo h SER 104 N 0.14 0.94 -0.09 -0.43 4.64 -1.99 0.28 113.55 117.05 3imo h SER 104 Ca 0.04 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 3imo h SER 104 Cb -0.02 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3imo h SER 104 CO -0.01 0.63 -0.59 0.50 -0.87 0.00 0.00 176.83 176.49 3imo h LYS 105 N 1.10 0.69 -0.40 4.77 1.63 -1.47 -1.80 116.57 121.08 3imo h LYS 105 Ca 0.37 -0.46 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3imo h LYS 105 Cb 0.06 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 3imo h LYS 105 CO -0.14 1.08 0.16 1.25 -3.45 0.00 0.00 179.45 178.36 3imo h LEU 106 N 0.52 0.55 -0.46 5.20 5.85 -0.71 -0.62 115.31 125.63 3imo h LEU 106 Ca -0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3imo h LEU 106 Cb 1.17 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3imo h LEU 106 CO 0.12 0.56 0.24 0.58 -0.34 0.00 0.00 178.44 179.60 3imo h VAL 107 N 0.50 1.17 -0.37 1.05 2.07 -0.93 -1.91 116.25 117.83 3imo h VAL 107 Ca 0.13 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3imo h VAL 107 Cb 0.18 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3imo h VAL 107 CO -0.01 0.18 0.20 -0.08 0.02 0.00 0.00 177.57 177.87 3imo h GLU 108 N 0.60 0.39 0.16 1.57 4.81 -1.03 0.12 114.58 121.19 3imo h GLU 108 Ca 0.16 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3imo h GLU 108 Cb 0.07 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3imo h GLU 108 CO -0.02 0.26 -0.08 0.82 -0.73 0.00 0.00 179.01 179.26 3imo h ILE 109 N 0.40 0.85 -0.01 2.32 2.04 -0.94 -2.81 117.51 119.36 3imo h ILE 109 Ca 0.15 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.88 3imo h ILE 109 Cb 0.05 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3imo h ILE 109 CO -0.10 0.00 -0.58 -0.26 0.00 0.00 0.00 178.15 177.22 3imo h PHE 110 N -0.22 0.05 -0.28 1.37 -1.00 -1.18 -2.80 116.94 112.88 3imo h PHE 110 Ca -0.02 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 3imo h PHE 110 Cb 0.17 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 3imo h PHE 110 CO -0.07 0.61 -0.03 -0.22 -1.61 0.00 0.00 178.31 176.99 3imo h LYS 111 N 0.03 0.43 -0.00 1.51 3.64 -0.69 -2.92 116.57 118.57 3imo h LYS 111 Ca -0.01 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3imo h LYS 111 Cb 1.03 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3imo h LYS 111 CO 0.08 0.48 -0.37 0.41 -2.27 0.00 0.00 179.45 177.78 3imo n GLY 112 N -0.91 -0.91 0.00 5.01 0.00 -1.07 -5.10 105.19 102.21 3imo n GLY 112 Ca 0.01 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.70 3imo n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36