#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imo s MET 1 N 0.00 1.90 -0.08 1.57 1.00 -1.24 -5.02 119.30 117.43 3imo s MET 1 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 55.69 54.84 3imo s MET 1 Cb 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 34.83 33.01 3imo s MET 1 CO 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 175.02 175.48 3imo s ALA 2 N -0.56 0.97 -0.26 3.03 0.00 -1.26 -1.25 121.76 122.43 3imo s ALA 2 Ca 0.09 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 3imo s ALA 2 Cb -0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3imo s ALA 2 CO -0.01 -0.29 0.13 -1.17 0.00 0.00 0.00 175.76 174.42 3imo s LEU 3 N 1.52 3.72 -0.30 0.00 2.96 0.09 -4.94 118.68 121.72 3imo s LEU 3 Ca -0.01 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.65 3imo s LEU 3 Cb -0.13 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3imo s LEU 3 CO -0.04 -0.04 0.32 -0.89 -1.32 0.00 0.00 176.35 174.37 3imo s THR 4 N 1.69 5.21 -0.60 3.68 2.01 -1.26 -0.35 115.64 126.02 3imo s THR 4 Ca 0.07 0.22 -0.20 0.00 0.31 0.00 0.00 61.69 62.09 3imo s THR 4 Cb -0.16 -3.71 0.09 0.00 0.01 0.00 0.00 72.50 68.74 3imo s THR 4 CO 0.07 0.07 0.77 -0.69 -0.69 0.00 0.00 174.62 174.15 3imo s VAL 5 N 1.95 4.69 -0.21 3.82 1.01 -0.12 -4.85 120.40 126.69 3imo s VAL 5 Ca 0.11 -0.74 0.12 0.00 0.00 0.00 0.00 61.98 61.47 3imo s VAL 5 Cb -0.16 -4.52 -0.21 0.00 0.00 0.00 0.00 36.38 31.49 3imo s VAL 5 CO 0.11 -1.18 -0.03 0.29 0.00 0.00 0.00 175.10 174.29 3imo n LYS 6 N 6.70 0.79 -4.47 2.72 5.02 -1.26 -3.94 118.16 123.73 3imo n LYS 6 Ca -0.07 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.03 3imo n LYS 6 Cb 0.44 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.85 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 -5.69 2.72 0.26 4.39 1.47 -1.26 -5.05 116.67 113.51 3imo s ASP 7 Ca -0.17 -1.32 0.06 0.00 1.18 0.00 0.00 52.55 52.29 3imo s ASP 7 Cb 0.07 -0.16 0.33 0.00 -0.34 0.00 0.00 42.92 42.82 3imo s ASP 7 CO 0.71 -0.51 1.61 0.58 0.68 0.00 0.00 175.17 178.25 3imo h VAL 8 N 2.11 1.37 -0.24 2.11 2.07 -1.98 -2.01 116.25 119.68 3imo h VAL 8 Ca -0.41 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3imo h VAL 8 Cb 1.24 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3imo h VAL 8 CO 0.71 0.54 0.15 -1.13 0.02 0.00 0.00 177.57 177.86 3imo h ASN 9 N 0.16 0.28 -0.43 0.57 -1.24 -1.99 0.12 115.58 113.05 3imo h ASN 9 Ca 0.00 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 56.88 3imo h ASN 9 Cb 1.01 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.97 3imo h ASN 9 CO 0.08 0.22 -0.11 0.40 -1.29 0.00 0.00 177.43 176.73 3imo h ILE 10 N 0.31 1.26 -0.21 2.57 1.08 -1.94 -2.52 117.51 118.07 3imo h ILE 10 Ca 0.09 -1.22 0.01 0.00 -0.39 0.00 0.00 64.86 63.35 3imo h ILE 10 Cb -0.02 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 3imo h ILE 10 CO -0.02 0.42 0.12 0.25 -0.69 0.00 0.00 178.15 178.23 3imo h LEU 11 N 0.80 0.19 -0.58 1.44 5.85 -1.03 -0.86 115.31 121.12 3imo h LEU 11 Ca 0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3imo h LEU 11 Cb 0.63 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3imo h LEU 11 CO 0.04 0.14 0.34 0.28 -0.34 0.00 0.00 178.44 178.90 3imo h SER 12 N 0.25 0.70 -0.90 1.25 0.02 -0.66 0.35 113.55 114.56 3imo h SER 12 Ca 0.08 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3imo h SER 12 Cb -0.00 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 3imo h SER 12 CO -0.04 0.57 0.59 1.56 -1.14 0.00 0.00 176.83 178.37 3imo h GLN 13 N 0.78 1.16 -0.30 3.45 4.20 -1.22 0.68 115.11 123.86 3imo h GLN 13 Ca 0.21 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 3imo h GLN 13 Cb 0.00 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3imo h GLN 13 CO -0.04 0.76 -0.15 -0.92 -0.67 0.00 0.00 178.83 177.82 3imo h TYR 14 N 1.19 0.73 -0.74 2.96 3.20 -0.35 -1.75 116.97 122.20 3imo h TYR 14 Ca 0.34 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 3imo h TYR 14 Cb -0.10 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3imo h TYR 14 CO -0.00 0.86 0.29 0.82 -1.64 0.00 0.00 178.16 178.49 3imo h ILE 15 N 0.38 1.25 -0.59 1.81 2.04 -0.59 -1.39 117.51 120.42 3imo h ILE 15 Ca 0.07 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3imo h ILE 15 Cb 0.67 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3imo h ILE 15 CO 0.04 0.32 0.25 0.28 0.00 0.00 0.00 178.15 179.05 3imo h SER 16 N 1.08 0.79 -0.82 1.72 0.02 -0.69 -0.51 113.55 115.15 3imo h SER 16 Ca 0.25 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3imo h SER 16 Cb 0.22 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3imo h SER 16 CO -0.02 0.72 0.49 1.23 -1.14 0.00 0.00 176.83 178.11 3imo h GLY 17 N 0.80 1.20 0.99 -3.77 0.00 -0.96 -0.64 103.07 100.69 3imo h GLY 17 Ca 0.20 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3imo h GLY 17 CO -0.02 0.49 0.32 -2.08 0.00 0.00 0.00 176.54 175.25 3imo h VAL 18 N 1.13 1.20 -0.20 4.60 2.07 -0.78 -1.47 116.25 122.79 3imo h VAL 18 Ca 0.29 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 3imo h VAL 18 Cb -0.03 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3imo h VAL 18 CO -0.05 0.21 -0.37 0.24 0.02 0.00 0.00 177.57 177.62 3imo h MET 19 N 0.80 0.45 -0.13 1.57 2.86 -0.58 -0.79 114.93 119.12 3imo h MET 19 Ca 0.21 -0.21 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 3imo h MET 19 Cb 0.06 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 3imo h MET 19 CO -0.03 0.76 -0.68 0.00 1.06 0.00 0.00 176.91 178.02 3imo h ALA 20 N 1.23 0.58 -0.33 6.32 0.00 -0.97 -0.78 119.26 125.31 3imo h ALA 20 Ca 0.04 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 3imo h ALA 20 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3imo h ALA 20 CO 0.07 0.73 -0.35 0.00 0.00 0.00 0.00 179.25 179.70 3imo h ARG 21 N 0.37 0.75 -0.17 0.00 3.08 -1.04 -2.40 114.38 114.97 3imo h ARG 21 Ca -0.02 -0.36 -0.18 0.00 0.07 0.00 0.00 59.98 59.48 3imo h ARG 21 Cb 1.25 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3imo h ARG 21 CO 0.12 0.98 -0.65 0.00 -1.07 0.00 0.00 179.97 179.36 3imo h ALA 22 N 0.98 0.55 -0.29 0.04 0.00 -0.98 0.18 119.26 119.74 3imo h ALA 22 Ca 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.42 3imo h ALA 22 Cb 0.88 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3imo h ALA 22 CO 0.08 0.71 0.18 0.22 0.00 0.00 0.00 179.25 180.44 3imo h ASP 23 N 0.45 0.31 0.11 0.00 3.58 -1.10 0.62 116.42 120.40 3imo h ASP 23 Ca -0.01 -0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.14 3imo h ASP 23 Cb 1.23 -0.07 0.03 0.00 1.72 0.00 0.00 39.33 42.23 3imo h ASP 23 CO 0.12 0.22 -1.20 0.45 -2.88 0.00 0.00 179.24 175.95 3imo h HIS 24 N 0.37 1.00 0.00 0.28 3.86 -1.29 -3.42 115.15 115.95 3imo h HIS 24 Ca 0.11 -0.62 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 3imo h HIS 24 Cb -0.03 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3imo h HIS 24 CO -0.07 1.46 -0.40 0.72 0.86 0.00 0.00 177.93 180.50 3imo n HIS 25 N -3.82 0.00 -3.10 2.45 8.25 0.60 -4.89 115.22 114.71 3imo n HIS 25 Ca -0.14 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.16 3imo n HIS 25 Cb 0.97 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.06 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 -0.82 1.97 0.31 -1.41 0.00 -0.33 -4.95 120.51 115.28 3imo n ALA 26 Ca 0.00 -3.23 0.20 0.00 0.00 0.00 0.00 53.44 50.40 3imo n ALA 26 Cb 0.00 -0.95 1.02 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 2.99 0.00 2.00 0.00 0.00 -1.20 -2.85 103.07 104.01 3imo h GLY 27 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 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 -3.22 0.07 0.00 0.19 5.15 -1.26 -3.24 115.26 112.94 3imo n ASN 28 Ca -0.02 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 3imo n ASN 28 Cb 0.14 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 3imo n ASN 28 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3imo n VAL 29 N -1.57 0.43 -0.24 3.44 0.24 -1.08 -1.06 118.33 118.49 3imo n VAL 29 Ca 0.04 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 3imo n VAL 29 Cb 0.23 0.88 0.08 0.00 -1.47 0.00 0.00 33.84 33.56 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 0.78 0.15 7.34 4.81 -1.62 -1.88 114.58 124.15 3imo h GLU 30 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3imo h GLU 30 Cb 0.63 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3imo h GLU 30 CO 0.00 0.51 -0.07 0.93 -0.73 0.00 0.00 179.01 179.65 3imo h GLU 31 N 0.80 -0.19 0.00 1.92 5.08 -1.87 -3.22 114.58 117.10 3imo h GLU 31 Ca 0.28 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3imo h GLU 31 Cb 0.06 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3imo h GLU 31 CO -0.12 0.23 -0.07 0.97 -1.00 0.00 0.00 179.01 179.01 3imo h ILE 32 N -0.68 0.29 -0.84 3.13 6.09 -1.80 -2.63 117.51 121.06 3imo h ILE 32 Ca -0.02 -0.45 0.02 0.00 -1.37 0.00 0.00 64.86 63.04 3imo h ILE 32 Cb 0.50 1.34 -0.04 0.00 0.47 0.00 0.00 36.82 39.09 3imo h ILE 32 CO 0.03 0.07 0.56 0.00 -3.07 0.00 0.00 178.15 175.74 3imo h ALA 33 N 1.93 1.43 -0.48 0.18 0.00 -1.35 -0.38 119.26 120.59 3imo h ALA 33 Ca -0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3imo h ALA 33 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3imo h ALA 33 CO 0.01 0.51 -0.20 -0.07 0.00 0.00 0.00 179.25 179.49 3imo h LEU 34 N 1.10 1.01 -0.71 0.00 3.38 -1.60 -1.00 115.31 117.49 3imo h LEU 34 Ca 0.32 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 3imo h LEU 34 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3imo h LEU 34 CO -0.08 1.18 -0.37 0.00 0.09 0.00 0.00 178.44 179.25 3imo h ALA 35 N 0.87 0.88 -0.66 1.53 0.00 -1.55 -2.52 119.26 117.81 3imo h ALA 35 Ca 0.11 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3imo h ALA 35 Cb 0.78 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3imo h ALA 35 CO 0.06 0.63 0.13 -0.07 0.00 0.00 0.00 179.25 180.00 3imo h LEU 36 N 0.47 1.03 -0.32 0.00 3.38 -0.92 -0.86 115.31 118.10 3imo h LEU 36 Ca 0.05 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3imo h LEU 36 Cb 0.86 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 3imo h LEU 36 CO 0.07 1.02 -0.05 0.00 0.09 0.00 0.00 178.44 179.57 3imo h ALA 37 N 1.05 0.24 -0.53 1.53 0.00 -0.93 0.12 119.26 120.74 3imo h ALA 37 Ca 0.20 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3imo h ALA 37 Cb 0.41 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3imo h ALA 37 CO 0.01 -0.44 0.03 0.78 0.00 0.00 0.00 179.25 179.62 3imo h GLY 38 N 0.03 0.99 1.21 0.00 0.00 -1.09 -2.03 103.07 102.18 3imo h GLY 38 Ca 0.15 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 3imo h GLY 38 CO -0.30 0.65 -0.17 0.00 0.00 0.00 0.00 176.54 176.72 3imo h ALA 39 N 0.96 0.80 -0.34 3.60 0.00 -0.82 0.83 119.26 124.30 3imo h ALA 39 Ca 0.15 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3imo h ALA 39 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3imo h ALA 39 CO 0.02 0.65 0.03 0.82 0.00 0.00 0.00 179.25 180.78 3imo h ILE 40 N 0.81 1.25 -0.48 0.00 2.04 -0.89 -2.33 117.51 117.90 3imo h ILE 40 Ca 0.12 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 3imo h ILE 40 Cb 0.72 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3imo h ILE 40 CO 0.06 0.29 0.16 -0.07 0.00 0.00 0.00 178.15 178.59 3imo h LEU 41 N 0.40 0.63 -0.15 1.44 3.38 -1.14 -1.76 115.31 118.12 3imo h LEU 41 Ca 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3imo h LEU 41 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3imo h LEU 41 CO 0.01 0.60 0.10 -0.25 0.09 0.00 0.00 178.44 178.99 3imo h TRP 42 N 0.68 0.19 -0.01 1.13 7.01 -0.58 -3.33 115.95 121.04 3imo h TRP 42 Ca 0.16 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.16 3imo h TRP 42 Cb 0.19 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 3imo h TRP 42 CO 0.01 0.13 -0.66 0.54 -2.79 0.00 0.00 178.44 175.67 3imo n ARG 43 N -4.98 1.12 -2.00 2.65 5.12 -0.90 -5.00 116.66 112.68 3imo n ARG 43 Ca -0.04 -0.42 -0.37 0.00 -1.93 0.00 0.00 57.85 55.08 3imo n ARG 43 Cb 0.03 -1.38 0.03 0.00 -1.16 0.00 0.00 32.46 29.98 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 -2.51 3.19 0.54 5.56 -2.85 -0.68 -4.50 119.74 118.50 3imo s LYS 44 Ca 0.11 1.94 -0.09 0.00 -1.00 0.00 0.00 55.97 56.93 3imo s LYS 44 Cb 0.15 -2.13 0.13 0.00 -2.06 0.00 0.00 37.83 33.91 3imo s LYS 44 CO 0.64 -1.06 0.66 -0.40 0.10 0.00 0.00 175.35 175.30 3imo n ASP 45 N -1.18 -0.34 0.00 0.03 5.68 -0.20 -4.93 116.55 115.62 3imo n ASP 45 Ca 0.11 -1.15 0.11 0.00 -0.50 0.00 0.00 54.79 53.36 3imo n ASP 45 Cb 0.48 -0.53 0.62 0.00 -1.14 0.00 0.00 41.12 40.55 3imo n ASP 45 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3imo n ASP 46 N -3.57 0.00 -4.76 -1.12 8.00 -1.26 -4.79 116.55 109.04 3imo n ASP 46 Ca 0.08 -0.31 -0.41 0.00 0.71 0.00 0.00 54.79 54.86 3imo n ASP 46 Cb 0.30 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 3imo n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3imo s THR 47 N -2.35 2.51 0.31 -3.53 2.01 -1.26 -4.96 115.64 108.36 3imo s THR 47 Ca 0.27 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 3imo s THR 47 Cb 0.16 -3.31 -0.10 0.00 0.01 0.00 0.00 72.50 69.26 3imo s THR 47 CO 0.32 0.10 1.30 0.20 -0.69 0.00 0.00 174.62 175.85 3imo s ASN 48 N -0.10 6.83 0.33 3.53 0.01 -1.26 -4.79 114.94 119.49 3imo s ASN 48 Ca 0.54 2.62 -0.29 0.00 -0.71 0.00 0.00 52.86 55.02 3imo s ASN 48 Cb -0.42 -2.64 -0.11 0.00 0.41 0.00 0.00 41.25 38.49 3imo s ASN 48 CO 0.52 -0.51 1.46 -0.63 -1.51 0.00 0.00 177.10 176.43 3imo s ILE 49 N -0.93 2.30 -0.03 0.60 1.01 -1.25 -4.89 121.20 118.00 3imo s ILE 49 Ca 0.50 0.28 0.05 0.00 0.00 0.00 0.00 60.65 61.48 3imo s ILE 49 Cb -0.39 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3imo s ILE 49 CO 0.50 0.06 -0.18 -0.54 0.00 0.00 0.00 174.94 174.78 3imo s LYS 50 N -1.48 1.63 -0.23 2.79 1.02 -0.83 -0.95 119.74 121.71 3imo s LYS 50 Ca 0.55 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.91 3imo s LYS 50 Cb -0.44 -1.49 0.03 0.00 -0.52 0.00 0.00 37.83 35.40 3imo s LYS 50 CO 0.55 0.32 -0.11 0.08 -0.92 0.00 0.00 175.35 175.27 3imo s VAL 51 N -0.19 2.57 -0.14 3.17 1.01 0.52 -0.28 120.40 127.07 3imo s VAL 51 Ca 0.01 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 3imo s VAL 51 Cb -0.09 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 3imo s VAL 51 CO 0.01 0.28 0.19 -0.04 0.00 0.00 0.00 175.10 175.53 3imo s MET 52 N 1.29 3.83 0.05 2.72 1.00 -0.17 -0.73 119.30 127.29 3imo s MET 52 Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 55.69 55.71 3imo s MET 52 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 34.83 31.34 3imo s MET 52 CO -0.07 0.55 -0.20 0.00 0.00 0.00 0.00 175.02 175.30 3imo s ALA 53 N -0.41 2.55 -1.45 3.03 0.00 -0.38 -0.58 121.76 124.52 3imo s ALA 53 Ca 0.14 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 3imo s ALA 53 Cb -0.12 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.37 3imo s ALA 53 CO 0.03 0.57 0.75 1.63 0.00 0.00 0.00 175.76 178.74 3imo n LYS 59 N 1.48 -4.92 -2.43 0.00 5.02 -1.26 -3.69 118.16 112.35 3imo n LYS 59 Ca -0.16 0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 56.39 3imo n LYS 59 Cb 0.52 -5.50 -0.04 0.00 -0.02 0.00 0.00 35.03 29.99 3imo n LYS 59 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3imo s ASN 60 N -2.97 7.17 -0.11 4.39 0.01 -1.26 -5.05 114.94 117.12 3imo s ASN 60 Ca 0.49 2.31 0.01 0.00 -0.71 0.00 0.00 52.86 54.96 3imo s ASN 60 Cb -0.24 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 38.81 3imo s ASN 60 CO 0.60 -0.22 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.15 3imo s VAL 61 N -1.19 1.40 -0.16 1.60 1.01 0.25 -4.65 120.40 118.66 3imo s VAL 61 Ca 0.46 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 3imo s VAL 61 Cb -0.32 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3imo s VAL 61 CO 0.42 0.42 0.47 -0.22 0.00 0.00 0.00 175.10 176.19 3imo s LEU 62 N 1.09 4.22 -0.12 3.92 0.20 -0.12 -1.00 118.68 126.86 3imo s LEU 62 Ca -0.05 0.71 -0.01 0.00 0.69 0.00 0.00 54.13 55.47 3imo s LEU 62 Cb -0.14 -2.66 -0.02 0.00 -0.43 0.00 0.00 46.19 42.93 3imo s LEU 62 CO -0.03 -0.06 -0.08 0.26 -0.29 0.00 0.00 176.35 176.14 3imo s TRP 63 N 1.04 2.91 -0.01 5.38 0.52 0.62 -0.42 118.94 128.98 3imo s TRP 63 Ca 0.24 -0.36 -0.05 0.00 0.02 0.00 0.00 56.10 55.95 3imo s TRP 63 Cb -0.15 -1.85 0.00 0.00 -1.15 0.00 0.00 33.47 30.32 3imo s TRP 63 CO 0.09 -0.02 0.11 0.54 0.02 0.00 0.00 176.95 177.69 3imo s VAL 64 N 0.08 0.06 -0.19 4.03 0.11 -0.85 -1.96 120.40 121.69 3imo s VAL 64 Ca -0.03 -0.50 -0.07 0.00 -2.93 0.00 0.00 61.98 58.45 3imo s VAL 64 Cb -0.14 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3imo s VAL 64 CO 0.04 -0.27 0.05 -0.89 -3.33 0.00 0.00 175.10 170.70 3imo s THR 65 N -0.92 4.64 -0.15 5.04 2.01 -1.26 -0.83 115.64 124.16 3imo s THR 65 Ca -0.10 -0.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 3imo s THR 65 Cb -0.06 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.39 3imo s THR 65 CO 0.01 0.44 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.66 3imo s ILE 66 N 0.55 1.28 -1.40 1.82 1.01 -0.12 -1.03 121.20 123.32 3imo s ILE 66 Ca 0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 3imo s ILE 66 Cb -0.13 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.05 3imo s ILE 66 CO 0.01 0.29 0.86 -3.20 0.00 0.00 0.00 174.94 172.91 3imo n ASN 67 N 4.84 -3.04 0.00 3.58 5.15 -1.26 -1.66 115.26 122.87 3imo n ASN 67 Ca -0.14 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 3imo n ASN 67 Cb 0.49 -4.12 0.00 0.00 -0.53 0.00 0.00 39.78 35.62 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 -1.64 0.77 3.40 8.20 0.00 -1.26 -5.01 105.19 109.65 3imo n GLY 68 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.09 2.19 -0.06 1.61 0.41 -0.66 -5.12 118.70 116.98 3imo s GLU 69 Ca 0.00 -0.89 -0.17 0.00 -0.41 0.00 0.00 54.97 53.50 3imo s GLU 69 Cb 0.00 -2.17 -0.05 0.00 -1.78 0.00 0.00 34.13 30.13 3imo s GLU 69 CO 0.00 0.57 0.45 1.03 -0.49 0.00 0.00 175.26 176.82 3imo s ARG 70 N -0.93 4.18 -0.01 1.61 0.52 -1.26 -0.94 118.95 122.11 3imo s ARG 70 Ca 0.12 0.45 0.07 0.00 -0.52 0.00 0.00 55.73 55.85 3imo s ARG 70 Cb -0.10 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 3imo s ARG 70 CO 0.01 0.40 -0.24 0.71 0.02 0.00 0.00 175.30 176.21 3imo s TYR 71 N -0.17 2.10 -0.16 -0.53 2.02 -0.01 -1.73 117.35 118.87 3imo s TYR 71 Ca 0.25 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.55 3imo s TYR 71 Cb -0.16 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.05 3imo s TYR 71 CO 0.12 -0.03 -0.13 0.00 -1.57 0.00 0.00 175.55 173.94 3imo s ALA 72 N -0.57 2.56 -0.10 3.71 0.00 0.47 -2.01 121.76 125.83 3imo s ALA 72 Ca 0.09 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3imo s ALA 72 Cb -0.09 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 3imo s ALA 72 CO -0.01 -0.08 -0.09 -0.06 0.00 0.00 0.00 175.76 175.52 3imo s PHE 73 N 0.90 2.89 0.24 0.00 0.08 0.44 -1.01 117.98 121.52 3imo s PHE 73 Ca -0.03 -0.23 -0.17 0.00 0.12 0.00 0.00 56.93 56.63 3imo s PHE 73 Cb -0.15 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3imo s PHE 73 CO -0.01 0.10 0.56 -1.54 -0.10 0.00 0.00 175.22 174.23 3imo s SER 74 N -0.28 -0.19 -0.20 1.36 1.04 -0.87 -0.95 113.70 113.61 3imo s SER 74 Ca 0.03 -0.69 -0.08 0.00 0.48 0.00 0.00 55.95 55.69 3imo s SER 74 Cb -0.13 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3imo s SER 74 CO 0.03 -1.17 0.07 -0.47 0.98 0.00 0.00 173.24 172.68 3imo s TYR 75 N -3.94 3.22 -0.43 5.02 5.04 -1.26 -0.06 117.35 124.94 3imo s TYR 75 Ca 0.15 0.00 -0.21 0.00 -2.44 0.00 0.00 57.07 54.57 3imo s TYR 75 Cb -0.02 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.18 3imo s TYR 75 CO 0.04 0.05 0.66 1.21 -1.34 0.00 0.00 175.55 176.17 3imo s ASN 76 N 0.68 6.34 0.04 4.32 3.84 0.47 -4.95 114.94 125.68 3imo s ASN 76 Ca 0.04 -0.28 0.26 0.00 0.21 0.00 0.00 52.86 53.09 3imo s ASN 76 Cb -0.13 -2.33 1.08 0.00 -0.55 0.00 0.00 41.25 39.32 3imo s ASN 76 CO 0.02 -0.78 1.83 0.00 -2.79 0.00 0.00 177.10 175.37 3imo n HIS 77 N 6.29 0.15 -0.05 0.43 1.44 -1.26 -0.29 115.22 121.94 3imo n HIS 77 Ca -0.01 0.05 -0.21 0.00 -2.01 0.00 0.00 57.72 55.54 3imo n HIS 77 Cb 0.48 -0.58 -0.13 0.00 0.12 0.00 0.00 29.99 29.88 3imo n HIS 77 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3imo h SER 78 N 0.00 0.19 1.27 4.39 0.87 -1.96 -3.36 113.55 114.96 3imo h SER 78 Ca 0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 3imo h SER 78 Cb 0.49 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3imo h SER 78 CO 0.00 1.54 -0.23 0.77 -0.53 0.00 0.00 176.83 178.39 3imo h SER 79 N -0.60 0.00 -5.57 6.23 4.64 -1.99 -3.47 113.55 112.79 3imo h SER 79 Ca -0.31 -0.08 -0.40 0.00 -0.47 0.00 0.00 61.79 60.53 3imo h SER 79 Cb 1.54 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.76 3imo h SER 79 CO -0.05 0.04 -0.66 -0.62 -0.87 0.00 0.00 176.83 174.66 3imo n GLU 80 N -2.24 -7.41 -4.29 4.77 1.02 0.60 -5.02 120.64 108.08 3imo n GLU 80 Ca 0.05 0.84 -0.23 0.00 -0.02 0.00 0.00 57.16 57.80 3imo n GLU 80 Cb 0.44 -5.85 -0.12 0.00 -0.02 0.00 0.00 31.44 25.89 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 -6.20 1.13 -0.19 3.49 1.02 -1.07 -4.72 119.74 113.20 3imo s LYS 81 Ca 0.53 -1.20 -0.25 0.00 0.02 0.00 0.00 55.97 55.08 3imo s LYS 81 Cb -0.24 -1.33 -0.01 0.00 -0.52 0.00 0.00 37.83 35.73 3imo s LYS 81 CO 0.66 0.30 0.82 0.42 -0.92 0.00 0.00 175.35 176.63 3imo s ILE 82 N -1.37 4.88 -0.03 2.17 1.01 -0.29 -0.39 121.20 127.18 3imo s ILE 82 Ca 0.08 1.58 -0.08 0.00 0.00 0.00 0.00 60.65 62.24 3imo s ILE 82 Cb -0.09 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3imo s ILE 82 CO 0.05 0.01 0.25 -1.61 0.00 0.00 0.00 174.94 173.64 3imo s GLU 83 N 2.27 3.59 -0.21 2.79 2.02 0.92 -0.71 118.70 129.37 3imo s GLU 83 Ca 0.37 -0.03 0.01 0.00 0.02 0.00 0.00 54.97 55.34 3imo s GLU 83 Cb -0.16 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 30.97 3imo s GLU 83 CO 0.11 0.69 -0.15 1.41 0.02 0.00 0.00 175.26 177.34 3imo s MET 84 N -1.48 2.80 0.02 1.61 -2.45 -0.18 -2.06 119.30 117.56 3imo s MET 84 Ca 0.24 -0.97 0.08 0.00 -1.25 0.00 0.00 55.69 53.79 3imo s MET 84 Cb -0.13 -2.73 -0.03 0.00 1.25 0.00 0.00 34.83 33.19 3imo s MET 84 CO 0.13 -0.33 -0.25 1.03 1.05 0.00 0.00 175.02 176.65 3imo s ARG 85 N 1.26 1.95 -0.05 4.11 0.52 -0.18 -1.27 118.95 125.29 3imo s ARG 85 Ca 0.01 -1.02 0.02 0.00 -0.52 0.00 0.00 55.73 54.22 3imo s ARG 85 Cb -0.15 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 3imo s ARG 85 CO -0.09 0.53 -0.10 0.21 0.02 0.00 0.00 175.30 175.87 3imo s LYS 86 N -1.06 2.62 0.00 3.54 2.20 -1.26 -0.39 119.74 125.39 3imo s LYS 86 Ca 0.12 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 3imo s LYS 86 Cb -0.10 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 3imo s LYS 86 CO 0.01 0.64 0.00 0.41 -0.36 0.00 0.00 175.35 176.06 3imo n GLY 87 N 2.17 1.98 0.00 5.54 0.00 -0.70 -5.01 105.19 109.17 3imo n GLY 87 Ca -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3imo n GLY 87 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3imo n ASN 92 N 3.50 0.00 -4.74 1.61 2.85 -1.26 -4.72 115.26 112.50 3imo n ASN 92 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 3imo n ASN 92 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 3imo n ASN 92 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3imo s THR 93 N 0.00 4.57 -0.08 -0.44 -4.23 -1.26 -4.59 115.64 109.61 3imo s THR 93 Ca 0.00 1.86 0.21 0.00 -1.18 0.00 0.00 61.69 62.58 3imo s THR 93 Cb 0.00 -4.22 -0.31 0.00 1.34 0.00 0.00 72.50 69.30 3imo s THR 93 CO 0.00 0.36 0.36 2.30 -0.54 0.00 0.00 174.62 177.10 3imo n ILE 94 N 2.65 0.41 -3.73 2.99 -5.35 -0.39 -4.99 119.36 110.94 3imo n ILE 94 Ca -0.00 -0.61 -0.14 0.00 -0.27 0.00 0.00 62.75 61.73 3imo n ILE 94 Cb 0.49 -0.14 -0.09 0.00 -1.74 0.00 0.00 39.64 38.17 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 -3.22 -0.33 0.04 4.28 3.76 -1.17 -5.04 115.29 113.61 3imo s HIS 95 Ca -0.09 0.70 0.09 0.00 -0.15 0.00 0.00 55.06 55.61 3imo s HIS 95 Cb 0.12 0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.92 3imo s HIS 95 CO 0.89 -0.32 -0.26 -1.21 -0.85 0.00 0.00 174.74 172.99 3imo s GLU 96 N -0.60 1.86 0.02 1.40 2.02 -1.26 -1.02 118.70 121.12 3imo s GLU 96 Ca -0.07 -1.08 0.05 0.00 0.02 0.00 0.00 54.97 53.89 3imo s GLU 96 Cb -0.04 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 3imo s GLU 96 CO 0.03 0.52 -0.15 -0.06 0.02 0.00 0.00 175.26 175.61 3imo s PHE 97 N -0.79 1.37 0.02 1.61 0.08 0.12 -4.95 117.98 115.43 3imo s PHE 97 Ca 0.12 -0.32 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 3imo s PHE 97 Cb -0.10 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.51 3imo s PHE 97 CO 0.02 0.02 0.03 -0.40 -0.10 0.00 0.00 175.22 174.79 3imo n ASP 98 N 2.20 -0.08 0.31 1.36 5.68 -1.26 -1.14 116.55 123.61 3imo n ASP 98 Ca -0.16 -1.09 0.17 0.00 -0.50 0.00 0.00 54.79 53.20 3imo n ASP 98 Cb 0.55 0.14 0.98 0.00 -1.14 0.00 0.00 41.12 41.64 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 0.10 0.00 0.91 -1.12 2.35 -1.41 -0.52 115.58 115.89 3imo h ASN 99 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3imo h ASN 99 Cb 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3imo h ASN 99 CO 0.02 0.00 -0.16 -1.28 -1.65 0.00 0.00 177.43 174.36 3imo h SER 100 N 0.00 0.00 -2.36 5.81 0.87 -1.95 -3.45 113.55 112.47 3imo h SER 100 Ca -0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 3imo h SER 100 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3imo h SER 100 CO 0.00 0.16 1.28 -0.89 -0.53 0.00 0.00 176.83 176.85 3imo s THR 101 N -3.69 3.21 0.34 2.23 2.01 -0.21 -4.95 115.64 114.58 3imo s THR 101 Ca 0.00 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 3imo s THR 101 Cb 0.10 -3.20 -0.11 0.00 0.01 0.00 0.00 72.50 69.30 3imo s THR 101 CO 0.61 -0.08 1.42 -2.84 -0.69 0.00 0.00 174.62 173.05 3imo s PRO 102 N 5.08 4.22 0.53 4.92 0.02 -1.26 -4.87 135.00 143.64 3imo s PRO 102 Ca 0.87 2.41 0.19 0.00 0.02 0.00 0.00 61.00 64.49 3imo s PRO 102 Cb -0.35 -3.03 1.38 0.00 0.02 0.00 0.00 34.50 32.52 3imo s PRO 102 CO 0.36 -0.40 2.17 -0.07 -0.33 0.00 0.00 177.00 178.72 3imo h LEU 103 N 3.56 0.00 -0.55 -5.54 3.38 -1.95 -1.64 115.31 112.57 3imo h LEU 103 Ca -0.49 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3imo h LEU 103 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3imo h LEU 103 CO 0.68 0.01 0.28 0.77 0.09 0.00 0.00 178.44 180.26 3imo h SER 104 N 0.00 0.71 -0.53 -0.43 4.64 -1.99 0.13 113.55 116.08 3imo h SER 104 Ca -0.00 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 3imo h SER 104 Cb 0.02 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3imo h SER 104 CO 0.00 0.63 0.07 0.50 -0.87 0.00 0.00 176.83 177.16 3imo h LYS 105 N 0.74 0.88 -0.41 4.77 3.64 -1.68 -1.13 116.57 123.38 3imo h LYS 105 Ca 0.19 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3imo h LYS 105 Cb 0.09 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3imo h LYS 105 CO -0.03 0.87 0.26 1.25 -2.27 0.00 0.00 179.45 179.54 3imo h LEU 106 N 0.76 0.49 -0.53 5.20 6.46 -1.18 0.04 115.31 126.55 3imo h LEU 106 Ca 0.16 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3imo h LEU 106 Cb 0.43 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 3imo h LEU 106 CO 0.01 0.38 0.34 0.58 -0.62 0.00 0.00 178.44 179.14 3imo h VAL 107 N 0.55 1.14 -0.52 1.05 2.07 -0.79 -2.09 116.25 117.67 3imo h VAL 107 Ca 0.15 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3imo h VAL 107 Cb -0.03 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 3imo h VAL 107 CO -0.03 0.14 0.26 -0.08 0.02 0.00 0.00 177.57 177.88 3imo h GLU 108 N 0.71 0.49 0.10 1.57 4.81 -0.86 0.21 114.58 121.61 3imo h GLU 108 Ca 0.19 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3imo h GLU 108 Cb -0.06 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3imo h GLU 108 CO -0.04 0.32 -0.05 0.82 -0.73 0.00 0.00 179.01 179.33 3imo h ILE 109 N 0.50 0.95 -0.20 2.32 2.04 -0.69 -2.53 117.51 119.89 3imo h ILE 109 Ca 0.23 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.77 3imo h ILE 109 Cb 0.15 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3imo h ILE 109 CO -0.16 0.04 -0.51 -0.26 0.00 0.00 0.00 178.15 177.25 3imo h PHE 110 N -0.21 0.71 -0.20 1.37 -1.00 -1.07 -2.77 116.94 113.77 3imo h PHE 110 Ca -0.01 -0.24 -0.01 0.00 2.81 0.00 0.00 57.97 60.52 3imo h PHE 110 Cb 0.17 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 3imo h PHE 110 CO -0.05 0.97 0.09 -0.22 -1.61 0.00 0.00 178.31 177.49 3imo h LYS 111 N 0.45 0.28 -0.00 1.51 3.64 -0.53 -2.52 116.57 119.40 3imo h LYS 111 Ca 0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3imo h LYS 111 Cb 1.05 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3imo h LYS 111 CO 0.10 0.22 -0.15 0.41 -2.27 0.00 0.00 179.45 177.76 3imo n GLY 112 N -1.38 -1.25 0.00 5.01 0.00 -0.96 -5.09 105.19 101.51 3imo n GLY 112 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.87 3imo n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36