#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkg h ASP 13 N 0.00 -0.14 -0.21 -3.46 -0.00 -2.02 -1.81 116.42 108.78 2bkg h ASP 13 Ca 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 57.03 56.94 2bkg h ASP 13 Cb 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 39.33 39.37 2bkg h ASP 13 CO 0.00 -0.10 -0.25 -0.07 -0.00 0.00 0.00 179.24 178.82 2bkg h LEU 14 N -0.16 0.58 -0.75 2.28 3.38 -1.99 -2.80 115.31 115.85 2bkg h LEU 14 Ca -0.01 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.56 2bkg h LEU 14 Cb 0.13 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 40.59 2bkg h LEU 14 CO 0.02 0.96 -0.47 1.23 0.09 0.00 0.00 178.44 180.27 2bkg h GLY 15 N 0.21 -0.48 0.84 0.83 0.00 -1.90 0.14 103.07 102.71 2bkg h GLY 15 Ca 0.03 0.62 0.05 0.00 0.00 0.00 0.00 47.33 48.03 2bkg h GLY 15 CO 0.06 -0.12 0.63 1.70 0.00 0.00 0.00 176.54 178.81 2bkg h LYS 16 N -0.14 1.12 -0.21 4.80 3.64 -1.31 -0.75 116.57 123.71 2bkg h LYS 16 Ca 0.20 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 2bkg h LYS 16 Cb 0.54 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2bkg h LYS 16 CO -0.80 0.74 -0.44 0.87 -2.27 0.00 0.00 179.45 177.55 2bkg h LYS 17 N 1.15 0.52 -0.51 1.90 1.57 -0.91 -1.73 116.57 118.56 2bkg h LYS 17 Ca 0.40 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2bkg h LYS 17 Cb 0.12 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2bkg h LYS 17 CO -0.15 0.86 -0.04 1.25 -0.57 0.00 0.00 179.45 180.80 2bkg h LEU 18 N 0.42 0.91 -0.05 2.94 5.85 -0.27 0.99 115.31 126.11 2bkg h LEU 18 Ca 0.03 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.43 2bkg h LEU 18 Cb 0.94 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2bkg h LEU 18 CO 0.08 1.02 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.11 2bkg h LEU 19 N 0.78 -0.07 -0.58 2.25 3.38 -1.06 -1.15 115.31 118.87 2bkg h LEU 19 Ca 0.14 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 2bkg h LEU 19 Cb 0.58 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2bkg h LEU 19 CO 0.03 -0.03 -0.11 -0.33 0.09 0.00 0.00 178.44 178.10 2bkg h GLU 20 N -0.01 1.02 -0.73 1.13 5.08 -1.19 -1.50 114.58 118.39 2bkg h GLU 20 Ca 0.03 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2bkg h GLU 20 Cb 0.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2bkg h GLU 20 CO -0.06 1.06 0.41 0.00 -1.00 0.00 0.00 179.01 179.43 2bkg h ALA 21 N 0.96 0.93 -0.43 3.43 0.00 -0.70 -0.57 119.26 122.89 2bkg h ALA 21 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2bkg h ALA 21 Cb 0.67 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2bkg h ALA 21 CO 0.05 0.43 0.10 0.00 0.00 0.00 0.00 179.25 179.83 2bkg h ALA 22 N 1.21 0.57 -0.82 0.00 0.00 -1.09 -0.85 119.26 118.29 2bkg h ALA 22 Ca 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bkg h ALA 22 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2bkg h ALA 22 CO -0.04 0.25 0.48 -0.09 0.00 0.00 0.00 179.25 179.84 2bkg h ARG 23 N 0.56 1.12 -0.00 0.00 2.43 -1.06 -2.55 114.38 114.88 2bkg h ARG 23 Ca 0.13 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2bkg h ARG 23 Cb 0.32 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2bkg h ARG 23 CO 0.00 0.80 -0.04 0.00 -1.51 0.00 0.00 179.97 179.23 2bkg n ALA 24 N -2.36 2.58 -1.26 2.80 0.00 -0.24 -4.91 120.51 117.11 2bkg n ALA 24 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 2bkg n ALA 24 Cb 0.07 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 2bkg n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bkg n GLY 25 N 1.28 0.49 3.49 0.00 0.00 -0.66 -4.98 105.19 104.81 2bkg n GLY 25 Ca 0.15 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2bkg n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bkg s GLN 26 N -2.57 3.78 0.23 1.61 -0.21 -0.41 -4.87 119.66 117.21 2bkg s GLN 26 Ca 0.00 -1.91 -0.03 0.00 0.02 0.00 0.00 55.36 53.44 2bkg s GLN 26 Cb 0.00 -5.10 0.22 0.00 1.00 0.00 0.00 33.01 29.14 2bkg s GLN 26 CO 0.00 -1.90 1.64 0.38 -2.12 0.00 0.00 175.29 173.30 2bkg h ASP 27 N 8.40 0.73 -0.41 5.90 2.03 -1.94 -0.73 116.42 130.40 2bkg h ASP 27 Ca 0.24 -0.26 -0.01 0.00 -0.73 0.00 0.00 57.03 56.27 2bkg h ASP 27 Cb 0.96 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 39.24 2bkg h ASP 27 CO 1.24 0.94 0.22 -0.78 -1.03 0.00 0.00 179.24 179.83 2bkg h ASP 28 N 0.63 0.52 -0.48 4.15 -0.00 -1.98 -1.84 116.42 117.41 2bkg h ASP 28 Ca 0.09 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.03 57.01 2bkg h ASP 28 Cb 0.72 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.90 2bkg h ASP 28 CO 0.06 0.46 0.22 -0.08 -0.00 0.00 0.00 179.24 179.89 2bkg h GLU 29 N 0.53 0.70 -0.65 0.28 4.57 -1.84 0.12 114.58 118.30 2bkg h GLU 29 Ca 0.14 -0.11 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 2bkg h GLU 29 Cb 0.06 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 2bkg h GLU 29 CO -0.02 0.61 0.32 0.28 -1.18 0.00 0.00 179.01 179.02 2bkg h VAL 30 N 0.63 0.89 -0.31 0.32 2.07 -1.07 0.35 116.25 119.14 2bkg h VAL 30 Ca 0.16 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2bkg h VAL 30 Cb 0.15 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2bkg h VAL 30 CO -0.02 0.11 0.09 0.03 0.02 0.00 0.00 177.57 177.79 2bkg h ARG 31 N 0.58 0.49 0.15 1.57 3.08 -0.88 -2.19 114.38 117.19 2bkg h ARG 31 Ca 0.31 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2bkg h ARG 31 Cb 0.28 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2bkg h ARG 31 CO -0.23 0.55 -0.07 0.82 -1.07 0.00 0.00 179.97 179.97 2bkg h ILE 32 N 0.35 0.92 -0.86 2.04 2.04 -0.11 -2.32 117.51 119.57 2bkg h ILE 32 Ca 0.10 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.73 2bkg h ILE 32 Cb 0.27 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 2bkg h ILE 32 CO -0.00 0.07 0.56 -0.07 0.00 0.00 0.00 178.15 178.71 2bkg h LEU 33 N -0.35 0.83 -0.15 1.44 3.38 -0.33 -0.68 115.31 119.46 2bkg h LEU 33 Ca -0.02 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 2bkg h LEU 33 Cb 0.28 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2bkg h LEU 33 CO 0.03 0.53 -0.92 0.24 0.09 0.00 0.00 178.44 178.41 2bkg h MET 34 N 0.94 0.56 -0.74 1.13 2.86 -1.33 -1.42 114.93 116.94 2bkg h MET 34 Ca 0.38 -0.56 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2bkg h MET 34 Cb 0.25 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 2bkg h MET 34 CO -0.14 1.18 0.41 0.00 1.06 0.00 0.00 176.91 179.42 2bkg h ALA 35 N 0.63 1.34 0.00 6.32 0.00 -0.90 -1.63 119.26 125.03 2bkg h ALA 35 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2bkg h ALA 35 Cb 1.55 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2bkg h ALA 35 CO 0.17 0.55 0.00 0.09 0.00 0.00 0.00 179.25 180.06 2bkg n ASN 36 N -4.37 0.24 0.00 0.00 5.03 -0.31 -4.86 115.26 111.00 2bkg n ASN 36 Ca 0.07 -1.66 0.00 0.00 0.87 0.00 0.00 54.58 53.87 2bkg n ASN 36 Cb 0.09 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 2bkg n ASN 36 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bkg n GLY 37 N 0.26 0.80 3.75 7.41 0.00 -0.61 -5.04 105.19 111.75 2bkg n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2bkg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkg s ALA 38 N -2.10 3.65 -0.14 4.61 0.00 -0.55 -4.93 121.76 122.30 2bkg s ALA 38 Ca 0.00 1.37 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 2bkg s ALA 38 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2bkg s ALA 38 CO 0.00 -0.79 1.36 0.34 0.00 0.00 0.00 175.76 176.68 2bkg s ASP 39 N 0.40 6.86 0.57 0.00 3.68 -1.26 -4.62 116.67 122.29 2bkg s ASP 39 Ca 0.60 1.82 0.32 0.00 2.13 0.00 0.00 52.55 57.42 2bkg s ASP 39 Cb -0.43 -2.54 1.71 0.00 -1.45 0.00 0.00 42.92 40.22 2bkg s ASP 39 CO 0.44 -0.81 2.16 1.62 0.13 0.00 0.00 175.17 178.70 2bkg h VAL 40 N 5.53 0.38 -0.88 1.11 3.04 -1.92 -0.66 116.25 122.86 2bkg h VAL 40 Ca -0.30 -0.33 -0.53 0.00 -1.01 0.00 0.00 66.70 64.54 2bkg h VAL 40 Cb 1.12 1.23 -0.28 0.00 -2.01 0.00 0.00 31.29 31.35 2bkg h VAL 40 CO 0.97 0.06 0.50 0.59 -1.01 0.00 0.00 177.57 178.68 2bkg n ASN 41 N -3.50 5.16 -4.73 3.17 3.02 -1.26 -4.35 115.26 112.76 2bkg n ASN 41 Ca -0.02 -3.72 -0.36 0.00 -0.03 0.00 0.00 54.58 50.45 2bkg n ASN 41 Cb 0.18 -0.82 0.07 0.00 -0.61 0.00 0.00 39.78 38.60 2bkg n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkg s ALA 42 N -3.52 2.35 -0.00 5.41 0.00 -0.26 -4.91 121.76 120.83 2bkg s ALA 42 Ca 0.58 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.66 2bkg s ALA 42 Cb 0.47 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 2bkg s ALA 42 CO 0.04 -1.56 -0.17 -1.21 0.00 0.00 0.00 175.76 172.86 2bkg s GLU 43 N -3.51 2.25 0.06 0.00 2.02 -1.26 -3.96 118.70 114.30 2bkg s GLU 43 Ca 0.79 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.91 2bkg s GLU 43 Cb -0.33 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.66 2bkg s GLU 43 CO 0.39 0.58 0.08 -0.40 0.02 0.00 0.00 175.26 175.93 2bkg n ASP 44 N 1.93 0.03 0.02 -0.19 5.68 -0.06 -4.77 116.55 119.19 2bkg n ASP 44 Ca -0.16 -1.04 0.11 0.00 -0.50 0.00 0.00 54.79 53.19 2bkg n ASP 44 Cb 0.52 -0.06 0.45 0.00 -1.14 0.00 0.00 41.12 40.89 2bkg n ASP 44 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2bkg n THR 45 N -1.95 0.57 0.18 2.12 -2.24 -1.26 -1.82 114.28 109.88 2bkg n THR 45 Ca 0.01 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 2bkg n THR 45 Cb 0.04 -0.79 0.21 0.00 -2.10 0.00 0.00 70.33 67.69 2bkg n THR 45 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2bkg n TYR 46 N -1.65 0.53 -1.00 4.78 4.02 -1.26 -4.96 117.16 117.62 2bkg n TYR 46 Ca 0.05 -0.29 -0.00 0.00 -0.01 0.00 0.00 57.90 57.65 2bkg n TYR 46 Cb 0.26 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.58 2bkg n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bkg n GLY 47 N 1.40 0.48 3.74 2.72 0.00 -0.76 -1.60 105.19 111.17 2bkg n GLY 47 Ca 0.19 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2bkg n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bkg s ASP 48 N -2.08 7.03 0.59 1.61 1.01 -1.26 -4.08 116.67 119.49 2bkg s ASP 48 Ca 0.00 1.23 -0.04 0.00 0.71 0.00 0.00 52.55 54.45 2bkg s ASP 48 Cb 0.00 -2.40 0.03 0.00 1.01 0.00 0.00 42.92 41.55 2bkg s ASP 48 CO 0.00 0.00 0.87 0.42 0.21 0.00 0.00 175.17 176.67 2bkg s THR 49 N 0.22 3.14 0.45 -1.27 -4.23 -1.26 -0.88 115.64 111.81 2bkg s THR 49 Ca 0.35 -0.28 0.16 0.00 -1.18 0.00 0.00 61.69 60.74 2bkg s THR 49 Cb -0.18 -3.25 0.35 0.00 1.34 0.00 0.00 72.50 70.76 2bkg s THR 49 CO 0.19 -0.23 1.96 -0.65 -0.54 0.00 0.00 174.62 175.35 2bkg h PRO 50 N -0.15 0.33 -0.51 3.99 0.11 -1.76 -0.62 132.00 133.40 2bkg h PRO 50 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2bkg h PRO 50 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2bkg h PRO 50 CO 0.58 0.22 -0.04 1.25 -0.21 0.00 0.00 178.00 179.80 2bkg h LEU 51 N 0.34 0.91 -0.08 2.35 5.85 -1.93 -0.21 115.31 122.54 2bkg h LEU 51 Ca 0.31 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2bkg h LEU 51 Cb 0.75 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2bkg h LEU 51 CO -0.08 1.02 -0.10 0.45 -0.34 0.00 0.00 178.44 179.39 2bkg h HIS 52 N 0.78 -0.24 -0.60 1.25 3.86 -1.61 -1.35 115.15 117.24 2bkg h HIS 52 Ca 0.14 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2bkg h HIS 52 Cb 0.58 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 2bkg h HIS 52 CO 0.04 -0.15 0.18 -0.07 0.86 0.00 0.00 177.93 178.79 2bkg h LEU 53 N -0.13 0.88 -0.56 2.43 3.38 -0.64 -1.11 115.31 119.57 2bkg h LEU 53 Ca 0.07 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2bkg h LEU 53 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2bkg h LEU 53 CO -0.16 0.86 -0.01 0.00 0.09 0.00 0.00 178.44 179.22 2bkg h ALA 54 N 1.05 0.75 -0.53 1.53 0.00 -1.01 -2.01 119.26 119.04 2bkg h ALA 54 Ca 0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2bkg h ALA 54 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2bkg h ALA 54 CO -0.00 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 2bkg h ALA 55 N 0.96 0.97 -0.05 0.00 0.00 -0.97 0.50 119.26 120.66 2bkg h ALA 55 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2bkg h ALA 55 Cb 0.55 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2bkg h ALA 55 CO 0.03 0.62 -0.00 -0.09 0.00 0.00 0.00 179.25 179.81 2bkg h ARG 56 N 0.84 0.09 0.00 0.00 2.43 -1.12 -3.30 114.38 113.32 2bkg h ARG 56 Ca 0.15 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2bkg h ARG 56 Cb 0.53 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2bkg h ARG 56 CO 0.03 0.38 -0.00 -0.39 -1.51 0.00 0.00 179.97 178.47 2bkg h VAL 57 N -0.21 0.01 0.00 0.20 -1.51 -1.32 -3.46 116.25 109.96 2bkg h VAL 57 Ca 0.01 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 2bkg h VAL 57 Cb 0.34 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2bkg h VAL 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 2bkg n GLY 58 N 1.08 1.25 3.46 5.19 0.00 0.09 -5.06 105.19 111.20 2bkg n GLY 58 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 2bkg n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bkg s HIS 59 N -2.00 3.23 0.33 1.61 3.76 -0.75 -4.89 115.29 116.58 2bkg s HIS 59 Ca 0.00 -1.62 0.03 0.00 -0.15 0.00 0.00 55.06 53.32 2bkg s HIS 59 Cb 0.00 -4.29 0.61 0.00 1.11 0.00 0.00 32.58 30.01 2bkg s HIS 59 CO 0.00 -1.46 1.93 1.25 -0.85 0.00 0.00 174.74 175.61 2bkg h LEU 60 N 10.21 0.81 -0.62 0.89 5.85 -1.97 -1.07 115.31 129.40 2bkg h LEU 60 Ca 0.21 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2bkg h LEU 60 Cb 0.98 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2bkg h LEU 60 CO 1.15 0.52 0.36 -0.08 -0.34 0.00 0.00 178.44 180.05 2bkg h GLU 61 N 0.92 0.86 -0.29 1.25 4.81 -1.99 -0.50 114.58 119.64 2bkg h GLU 61 Ca 0.36 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 2bkg h GLU 61 Cb 0.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2bkg h GLU 61 CO -0.13 0.64 -0.17 0.82 -0.73 0.00 0.00 179.01 179.44 2bkg h ILE 62 N 0.85 1.30 -0.79 2.32 1.08 -1.80 -1.87 117.51 118.60 2bkg h ILE 62 Ca 0.22 -1.28 0.14 0.00 -0.39 0.00 0.00 64.86 63.55 2bkg h ILE 62 Cb 0.01 1.50 -0.09 0.00 -3.07 0.00 0.00 36.82 35.17 2bkg h ILE 62 CO -0.04 0.41 0.36 0.58 -0.69 0.00 0.00 178.15 178.77 2bkg h VAL 63 N 0.38 0.70 -0.37 1.67 2.07 -0.88 -0.68 116.25 119.14 2bkg h VAL 63 Ca 0.06 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 2bkg h VAL 63 Cb 0.70 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2bkg h VAL 63 CO 0.05 0.10 -0.33 -0.33 0.02 0.00 0.00 177.57 177.08 2bkg h GLU 64 N 0.53 0.87 -0.54 1.57 5.08 -0.84 -1.17 114.58 120.08 2bkg h GLU 64 Ca 0.43 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bkg h GLU 64 Cb 0.61 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2bkg h GLU 64 CO -0.37 1.09 0.36 0.28 -1.00 0.00 0.00 179.01 179.36 2bkg h VAL 65 N 0.67 1.14 -0.13 3.13 2.07 -0.95 -1.91 116.25 120.28 2bkg h VAL 65 Ca 0.06 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2bkg h VAL 65 Cb 0.91 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2bkg h VAL 65 CO 0.08 0.14 -0.05 -0.07 0.02 0.00 0.00 177.57 177.69 2bkg h LEU 66 N 0.73 0.27 -1.32 2.57 3.38 -0.93 -2.46 115.31 117.55 2bkg h LEU 66 Ca 0.20 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.83 2bkg h LEU 66 Cb -0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2bkg h LEU 66 CO -0.04 0.60 0.50 -0.07 0.09 0.00 0.00 178.44 179.51 2bkg h LEU 67 N -0.07 0.73 -1.37 1.67 3.38 -1.07 -0.90 115.31 117.69 2bkg h LEU 67 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2bkg h LEU 67 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2bkg h LEU 67 CO 0.02 0.48 -0.26 0.11 0.09 0.00 0.00 178.44 178.88 2bkg h LYS 68 N 0.84 0.00 -0.63 1.13 1.57 -1.18 -3.09 116.57 115.21 2bkg h LYS 68 Ca 0.32 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 2bkg h LYS 68 Cb 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2bkg h LYS 68 CO -0.10 0.26 0.12 0.09 -0.57 0.00 0.00 179.45 179.25 2bkg n ASN 69 N -3.68 5.21 0.00 0.86 3.02 -0.46 -4.93 115.26 115.29 2bkg n ASN 69 Ca -0.01 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 2bkg n ASN 69 Cb 0.38 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2bkg n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bkg n GLY 70 N 0.18 0.67 3.71 7.41 0.00 -1.06 -4.88 105.19 111.22 2bkg n GLY 70 Ca 0.33 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2bkg n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkg n ALA 71 N -0.33 1.61 -2.29 4.61 0.00 -0.53 -4.90 120.51 118.68 2bkg n ALA 71 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 2bkg n ALA 71 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 2bkg n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bkg s ASP 72 N 0.05 6.17 0.61 0.00 2.15 -1.26 -4.77 116.67 119.61 2bkg s ASP 72 Ca 0.61 0.77 0.32 0.00 0.43 0.00 0.00 52.55 54.68 2bkg s ASP 72 Cb -0.57 -2.54 1.93 0.00 -0.30 0.00 0.00 42.92 41.44 2bkg s ASP 72 CO 0.56 -1.58 2.27 1.62 -0.17 0.00 0.00 175.17 177.87 2bkg h VAL 73 N 6.53 0.43 -0.30 1.11 3.04 -1.90 -2.55 116.25 122.60 2bkg h VAL 73 Ca -0.28 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.27 2bkg h VAL 73 Cb 1.12 0.99 -0.08 0.00 -2.01 0.00 0.00 31.29 31.30 2bkg h VAL 73 CO 1.10 0.00 -0.12 0.59 -1.01 0.00 0.00 177.57 178.14 2bkg n ASN 74 N -3.70 2.50 -4.77 3.17 3.02 -1.26 -4.36 115.26 109.85 2bkg n ASN 74 Ca -0.03 -3.71 -0.41 0.00 -0.03 0.00 0.00 54.58 50.41 2bkg n ASN 74 Cb 0.09 -0.61 0.01 0.00 -0.61 0.00 0.00 39.78 38.66 2bkg n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkg n ALA 75 N -1.08 2.31 -3.27 5.41 0.00 -0.96 -4.89 120.51 118.03 2bkg n ALA 75 Ca 0.30 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.71 2bkg n ALA 75 Cb 0.98 -2.42 -0.13 0.00 0.00 0.00 0.00 19.45 17.88 2bkg n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bkg s LEU 76 N -2.28 3.07 1.04 0.00 1.43 -1.26 -3.96 118.68 116.71 2bkg s LEU 76 Ca 0.55 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.19 2bkg s LEU 76 Cb -0.46 -1.78 0.23 0.00 0.03 0.00 0.00 46.19 44.21 2bkg s LEU 76 CO 0.62 0.03 1.28 1.51 0.23 0.00 0.00 176.35 180.02 2bkg s ASP 77 N 1.19 2.43 0.00 2.29 1.47 0.17 -4.87 116.67 119.35 2bkg s ASP 77 Ca 0.03 0.30 0.23 0.00 1.18 0.00 0.00 52.55 54.29 2bkg s ASP 77 Cb -0.14 -0.35 1.23 0.00 -0.34 0.00 0.00 42.92 43.32 2bkg s ASP 77 CO 0.00 -3.16 1.75 0.49 0.68 0.00 0.00 175.17 174.93 2bkg n PHE 78 N -4.06 0.00 0.84 2.11 3.72 -0.63 -1.10 117.46 118.35 2bkg n PHE 78 Ca 0.15 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 2bkg n PHE 78 Cb 0.59 -0.20 0.29 0.00 -0.94 0.00 0.00 39.48 39.22 2bkg n PHE 78 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2bkg n SER 79 N -1.20 2.53 0.00 4.37 3.41 -1.26 -4.96 113.62 116.52 2bkg n SER 79 Ca 0.13 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 2bkg n SER 79 Cb 0.15 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2bkg n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bkg n GLY 80 N 1.31 0.64 3.79 5.00 0.00 -0.26 -2.28 105.19 113.40 2bkg n GLY 80 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2bkg n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bkg s SER 81 N -2.10 6.98 0.41 1.61 0.01 -1.26 -3.98 113.70 115.38 2bkg s SER 81 Ca 0.00 1.17 0.02 0.00 1.31 0.00 0.00 55.95 58.45 2bkg s SER 81 Cb 0.00 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2bkg s SER 81 CO 0.00 0.21 0.60 0.42 0.41 0.00 0.00 173.24 174.88 2bkg s THR 82 N -0.70 4.06 0.39 1.44 -4.23 -1.25 -0.65 115.64 114.69 2bkg s THR 82 Ca 0.29 -0.66 0.12 0.00 -1.18 0.00 0.00 61.69 60.26 2bkg s THR 82 Cb -0.19 -3.47 0.34 0.00 1.34 0.00 0.00 72.50 70.52 2bkg s THR 82 CO 0.17 -0.28 1.90 -0.65 -0.54 0.00 0.00 174.62 175.22 2bkg h PRO 83 N 0.57 0.54 -0.72 3.99 0.11 -1.76 -2.23 132.00 132.49 2bkg h PRO 83 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2bkg h PRO 83 Cb 1.25 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2bkg h PRO 83 CO 0.56 0.36 0.41 1.25 -0.21 0.00 0.00 178.00 180.37 2bkg h LEU 84 N 0.56 0.89 -0.52 2.35 5.85 -1.95 -1.50 115.31 120.99 2bkg h LEU 84 Ca 0.39 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.12 2bkg h LEU 84 Cb 0.74 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 2bkg h LEU 84 CO -0.15 0.72 0.10 0.45 -0.34 0.00 0.00 178.44 179.21 2bkg h HIS 85 N 0.99 0.16 -0.18 1.25 3.86 -1.79 -0.91 115.15 118.52 2bkg h HIS 85 Ca 0.26 0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.29 2bkg h HIS 85 Cb 0.01 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2bkg h HIS 85 CO -0.01 -0.02 -0.70 -0.07 0.86 0.00 0.00 177.93 178.00 2bkg h LEU 86 N 0.23 0.88 -0.39 2.43 3.38 -1.29 -1.93 115.31 118.62 2bkg h LEU 86 Ca 0.26 -0.54 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 2bkg h LEU 86 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2bkg h LEU 86 CO -0.35 1.33 -0.28 0.00 0.09 0.00 0.00 178.44 179.23 2bkg h ALA 87 N 0.66 0.56 -0.26 1.53 0.00 -1.16 -1.87 119.26 118.72 2bkg h ALA 87 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2bkg h ALA 87 Cb 1.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2bkg h ALA 87 CO 0.14 0.58 0.09 0.00 0.00 0.00 0.00 179.25 180.07 2bkg h ALA 88 N 0.79 0.34 -0.60 0.00 0.00 -1.13 -1.43 119.26 117.22 2bkg h ALA 88 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bkg h ALA 88 Cb 0.86 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2bkg h ALA 88 CO 0.07 -0.05 0.39 -0.22 0.00 0.00 0.00 179.25 179.44 2bkg h LYS 89 N 0.26 0.79 -0.17 0.00 3.64 -1.26 -2.91 116.57 116.92 2bkg h LYS 89 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2bkg h LYS 89 Cb 0.21 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2bkg h LYS 89 CO -0.00 0.53 0.00 0.54 -2.27 0.00 0.00 179.45 178.25 2bkg n ARG 90 N -4.44 2.02 -1.83 1.90 5.12 -0.71 -4.83 116.66 113.89 2bkg n ARG 90 Ca 0.06 -1.51 -0.05 0.00 -1.93 0.00 0.00 57.85 54.42 2bkg n ARG 90 Cb 0.05 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 29.89 2bkg n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bkg n GLY 91 N 1.27 0.33 3.43 -0.13 0.00 -0.87 -4.97 105.19 104.25 2bkg n GLY 91 Ca 0.17 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 2bkg n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bkg s HIS 92 N -2.21 3.55 0.14 1.61 3.76 -0.59 -4.87 115.29 116.66 2bkg s HIS 92 Ca 0.00 -2.03 -0.18 0.00 -0.15 0.00 0.00 55.06 52.70 2bkg s HIS 92 Cb 0.00 -4.19 -0.01 0.00 1.11 0.00 0.00 32.58 29.49 2bkg s HIS 92 CO 0.00 -1.32 1.76 1.25 -0.85 0.00 0.00 174.74 175.59 2bkg h LEU 93 N 9.25 0.17 -0.93 0.89 5.85 -1.93 -1.13 115.31 127.48 2bkg h LEU 93 Ca 0.24 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 2bkg h LEU 93 Cb 0.93 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2bkg h LEU 93 CO 1.13 0.14 -0.49 -0.33 -0.34 0.00 0.00 178.44 178.55 2bkg h GLU 94 N 0.26 0.10 -0.17 1.25 3.07 -1.98 -1.59 114.58 115.53 2bkg h GLU 94 Ca 0.11 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 2bkg h GLU 94 Cb 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2bkg h GLU 94 CO -0.09 0.57 -0.20 0.82 -1.40 0.00 0.00 179.01 178.72 2bkg h ILE 95 N 0.08 1.35 -0.65 3.13 2.04 -1.90 -1.79 117.51 119.77 2bkg h ILE 95 Ca 0.00 -1.39 0.13 0.00 1.00 0.00 0.00 64.86 64.60 2bkg h ILE 95 Cb 0.90 1.87 -0.12 0.00 -0.74 0.00 0.00 36.82 38.73 2bkg h ILE 95 CO 0.07 0.42 -0.13 0.58 0.00 0.00 0.00 178.15 179.08 2bkg h VAL 96 N 0.07 0.37 -0.52 1.67 2.07 -0.97 0.68 116.25 119.62 2bkg h VAL 96 Ca 0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2bkg h VAL 96 Cb 0.76 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2bkg h VAL 96 CO 0.05 0.00 0.34 -0.33 0.02 0.00 0.00 177.57 177.65 2bkg h GLU 97 N 0.02 0.70 -0.03 1.57 5.08 -1.13 -0.70 114.58 120.09 2bkg h GLU 97 Ca 0.32 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.46 2bkg h GLU 97 Cb 0.49 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2bkg h GLU 97 CO -0.65 0.47 -0.75 -0.24 -1.00 0.00 0.00 179.01 176.85 2bkg h VAL 98 N 0.71 1.45 -0.33 3.13 3.04 -0.77 -0.84 116.25 122.63 2bkg h VAL 98 Ca 0.19 -2.34 -0.08 0.00 -1.01 0.00 0.00 66.70 63.46 2bkg h VAL 98 Cb -0.06 2.26 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 2bkg h VAL 98 CO -0.04 0.68 -0.11 -0.07 -1.01 0.00 0.00 177.57 177.02 2bkg h LEU 99 N 0.13 0.67 -0.83 3.16 3.38 -0.56 -0.50 115.31 120.76 2bkg h LEU 99 Ca -0.02 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2bkg h LEU 99 Cb 1.32 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2bkg h LEU 99 CO 0.11 0.90 0.43 -0.07 0.09 0.00 0.00 178.44 179.90 2bkg h LEU 100 N 0.43 1.05 -1.32 1.67 3.38 -0.98 -0.14 115.31 119.41 2bkg h LEU 100 Ca 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2bkg h LEU 100 Cb 0.62 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2bkg h LEU 100 CO 0.04 0.87 0.24 0.50 0.09 0.00 0.00 178.44 180.18 2bkg h LYS 101 N 1.16 0.70 -0.72 1.13 3.64 -0.82 -2.21 116.57 119.45 2bkg h LYS 101 Ca 0.29 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2bkg h LYS 101 Cb 0.07 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2bkg h LYS 101 CO -0.04 0.55 0.00 0.66 -2.27 0.00 0.00 179.45 178.35 2bkg n TYR 102 N -4.38 1.09 -0.77 1.91 4.01 -0.23 -4.89 117.16 113.91 2bkg n TYR 102 Ca 0.04 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 2bkg n TYR 102 Cb 0.12 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 2bkg n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bkg n GLY 103 N 0.45 0.72 3.72 2.72 0.00 -0.83 -4.90 105.19 107.07 2bkg n GLY 103 Ca 0.15 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2bkg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkg n ALA 104 N -0.38 1.55 -2.38 4.61 0.00 -0.11 -4.90 120.51 118.90 2bkg n ALA 104 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 2bkg n ALA 104 Cb 0.08 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 2bkg n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bkg s ASP 105 N -0.46 6.29 0.50 0.00 2.15 -1.26 -4.77 116.67 119.11 2bkg s ASP 105 Ca 0.60 0.63 0.28 0.00 0.43 0.00 0.00 52.55 54.49 2bkg s ASP 105 Cb -0.50 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 40.81 2bkg s ASP 105 CO 0.59 -1.51 1.95 1.62 -0.17 0.00 0.00 175.17 177.65 2bkg h VAL 106 N 6.43 0.43 -0.29 1.11 3.04 -1.91 -2.93 116.25 122.13 2bkg h VAL 106 Ca -0.27 -0.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 2bkg h VAL 106 Cb 1.10 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2bkg h VAL 106 CO 1.12 0.14 0.00 0.59 -1.01 0.00 0.00 177.57 178.41 2bkg n ASN 107 N -3.39 3.88 -4.73 3.17 3.02 -1.26 -4.40 115.26 111.54 2bkg n ASN 107 Ca -0.01 -2.87 -0.42 0.00 -0.03 0.00 0.00 54.58 51.25 2bkg n ASN 107 Cb 0.33 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 2bkg n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkg n ALA 108 N -0.29 2.05 -2.42 5.41 0.00 -1.11 -4.90 120.51 119.25 2bkg n ALA 108 Ca 0.20 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 2bkg n ALA 108 Cb 0.85 -2.38 -0.14 0.00 0.00 0.00 0.00 19.45 17.77 2bkg n ALA 108 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2bkg s ASP 109 N 0.17 3.57 0.33 0.00 -4.77 -1.26 -4.12 116.67 110.59 2bkg s ASP 109 Ca 0.61 -0.33 0.00 0.00 -3.30 0.00 0.00 52.55 49.53 2bkg s ASP 109 Cb -0.53 -0.64 0.00 0.00 -1.09 0.00 0.00 42.92 40.67 2bkg s ASP 109 CO 0.55 0.33 0.00 -0.90 0.70 0.00 0.00 175.17 175.85 2bkg n ASP 110 N 2.40 0.00 0.25 2.11 5.68 -0.46 -4.85 116.55 121.68 2bkg n ASP 110 Ca -0.17 -0.56 0.16 0.00 -0.50 0.00 0.00 54.79 53.72 2bkg n ASP 110 Cb 0.52 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.04 2bkg n ASP 110 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2bkg h THR 111 N -0.33 0.00 -0.61 2.12 1.35 -1.69 -1.25 112.91 112.50 2bkg h THR 111 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2bkg h THR 111 Cb 0.00 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2bkg h THR 111 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2bkg n ILE 112 N -3.02 0.81 -0.87 6.82 0.13 -1.26 -4.94 119.36 117.02 2bkg n ILE 112 Ca 0.02 -0.89 0.00 0.00 -1.10 0.00 0.00 62.75 60.77 2bkg n ILE 112 Cb 0.36 0.66 0.00 0.00 -0.84 0.00 0.00 39.64 39.82 2bkg n ILE 112 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2bkg n GLY 113 N 1.61 0.56 3.74 4.50 0.00 -0.47 -0.79 105.19 114.34 2bkg n GLY 113 Ca 0.23 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2bkg n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bkg s SER 114 N -2.02 7.29 0.37 1.61 0.01 -1.26 -4.08 113.70 115.61 2bkg s SER 114 Ca 0.00 2.14 0.07 0.00 1.31 0.00 0.00 55.95 59.47 2bkg s SER 114 Cb 0.00 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.62 2bkg s SER 114 CO 0.00 -0.18 0.52 0.42 0.41 0.00 0.00 173.24 174.41 2bkg s THR 115 N -0.57 3.66 0.37 1.44 -4.23 -1.26 -1.35 115.64 113.70 2bkg s THR 115 Ca 0.47 -0.97 0.11 0.00 -1.18 0.00 0.00 61.69 60.12 2bkg s THR 115 Cb -0.30 -3.26 0.33 0.00 1.34 0.00 0.00 72.50 70.61 2bkg s THR 115 CO 0.37 -0.10 1.87 -0.65 -0.54 0.00 0.00 174.62 175.56 2bkg h PRO 116 N 0.77 0.60 -0.33 3.99 0.11 -1.77 -1.92 132.00 133.45 2bkg h PRO 116 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bkg h PRO 116 Cb 1.27 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2bkg h PRO 116 CO 0.50 0.40 0.19 1.25 -0.21 0.00 0.00 178.00 180.13 2bkg h LEU 117 N 0.62 0.40 -0.38 2.35 5.85 -1.95 -0.41 115.31 121.80 2bkg h LEU 117 Ca 0.45 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.17 2bkg h LEU 117 Cb 0.81 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 2bkg h LEU 117 CO -0.20 0.36 -0.13 0.45 -0.34 0.00 0.00 178.44 178.58 2bkg h HIS 118 N 0.41 -0.30 -0.47 1.25 3.86 -1.82 -1.15 115.15 116.94 2bkg h HIS 118 Ca 0.12 0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 2bkg h HIS 118 Cb 0.04 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2bkg h HIS 118 CO -0.03 -0.20 -0.11 -0.07 0.86 0.00 0.00 177.93 178.38 2bkg h LEU 119 N -0.05 0.90 -0.87 2.43 3.38 -1.06 -0.03 115.31 120.01 2bkg h LEU 119 Ca 0.19 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2bkg h LEU 119 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2bkg h LEU 119 CO -0.42 1.05 -0.38 0.00 0.09 0.00 0.00 178.44 178.78 2bkg h ALA 120 N 0.88 1.04 -0.16 1.53 0.00 -1.00 -2.54 119.26 119.02 2bkg h ALA 120 Ca 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2bkg h ALA 120 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2bkg h ALA 120 CO 0.04 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2bkg h ALA 121 N 1.29 0.21 -0.93 0.00 0.00 -0.95 -0.66 119.26 118.21 2bkg h ALA 121 Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2bkg h ALA 121 Cb 0.82 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2bkg h ALA 121 CO 0.07 -0.09 0.61 0.22 0.00 0.00 0.00 179.25 180.06 2bkg h ASP 122 N 0.02 0.98 -0.39 0.00 -0.00 -0.83 -1.56 116.42 114.63 2bkg h ASP 122 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 2bkg h ASP 122 Cb 0.37 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 39.48 2bkg h ASP 122 CO 0.01 0.65 0.00 0.35 -0.00 0.00 0.00 179.24 180.25 2bkg n THR 123 N -4.46 0.52 -1.15 2.25 -2.24 -0.97 -4.94 114.28 103.28 2bkg n THR 123 Ca 0.13 -0.59 -0.05 0.00 -2.27 0.00 0.00 64.05 61.27 2bkg n THR 123 Cb 0.14 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 2bkg n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bkg n GLY 124 N 1.29 0.78 3.51 3.38 0.00 -0.59 -4.95 105.19 108.61 2bkg n GLY 124 Ca 0.17 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 2bkg n GLY 124 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bkg s HIS 125 N -2.18 2.98 0.19 1.61 3.76 -0.34 -4.87 115.29 116.45 2bkg s HIS 125 Ca 0.00 -1.49 -0.10 0.00 -0.15 0.00 0.00 55.06 53.32 2bkg s HIS 125 Cb 0.00 -4.51 0.11 0.00 1.11 0.00 0.00 32.58 29.30 2bkg s HIS 125 CO 0.00 -1.66 1.77 1.25 -0.85 0.00 0.00 174.74 175.25 2bkg h LEU 126 N 11.35 0.92 -0.68 0.89 5.85 -1.93 -0.81 115.31 130.90 2bkg h LEU 126 Ca 0.27 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 2bkg h LEU 126 Cb 0.95 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2bkg h LEU 126 CO 1.30 0.81 -0.37 -0.33 -0.34 0.00 0.00 178.44 179.52 2bkg h GLU 127 N 0.96 0.60 -0.41 1.25 3.07 -1.98 -1.10 114.58 116.97 2bkg h GLU 127 Ca 0.23 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 2bkg h GLU 127 Cb 0.15 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2bkg h GLU 127 CO -0.03 0.88 -0.18 0.82 -1.40 0.00 0.00 179.01 179.11 2bkg h ILE 128 N 0.50 1.28 -0.58 3.13 2.04 -1.89 -1.97 117.51 120.02 2bkg h ILE 128 Ca 0.05 -1.31 0.08 0.00 1.00 0.00 0.00 64.86 64.68 2bkg h ILE 128 Cb 0.87 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 2bkg h ILE 128 CO 0.07 0.44 0.23 0.58 0.00 0.00 0.00 178.15 179.48 2bkg h VAL 129 N 0.65 0.82 -0.62 1.67 2.07 -0.73 -0.77 116.25 119.34 2bkg h VAL 129 Ca 0.09 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2bkg h VAL 129 Cb 0.73 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2bkg h VAL 129 CO 0.06 0.08 0.31 -0.33 0.02 0.00 0.00 177.57 177.71 2bkg h GLU 130 N 0.43 0.88 -0.38 1.57 5.08 -0.88 -1.09 114.58 120.18 2bkg h GLU 130 Ca 0.28 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2bkg h GLU 130 Cb 0.31 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2bkg h GLU 130 CO -0.26 0.69 0.15 0.28 -1.00 0.00 0.00 179.01 178.86 2bkg h VAL 131 N 0.84 1.19 -0.71 3.13 2.07 -1.02 -1.84 116.25 119.91 2bkg h VAL 131 Ca 0.21 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.16 2bkg h VAL 131 Cb 0.09 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2bkg h VAL 131 CO -0.03 0.21 0.45 -0.07 0.02 0.00 0.00 177.57 178.16 2bkg h LEU 132 N 0.46 0.75 -0.61 2.57 3.38 -0.78 -1.82 115.31 119.25 2bkg h LEU 132 Ca 0.13 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2bkg h LEU 132 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2bkg h LEU 132 CO -0.01 0.52 0.20 -0.07 0.09 0.00 0.00 178.44 179.17 2bkg h LEU 133 N 0.89 0.89 -1.87 1.67 3.38 -1.03 -0.84 115.31 118.40 2bkg h LEU 133 Ca 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2bkg h LEU 133 Cb 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2bkg h LEU 133 CO -0.10 0.86 -0.07 0.11 0.09 0.00 0.00 178.44 179.32 2bkg h LYS 134 N 0.87 0.00 -0.50 1.13 1.57 -0.96 -1.81 116.57 116.87 2bkg h LYS 134 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2bkg h LYS 134 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2bkg h LYS 134 CO -0.01 0.07 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 2bkg n TYR 135 N -3.30 0.66 0.00 -1.35 4.02 -0.72 -4.93 117.16 111.54 2bkg n TYR 135 Ca -0.01 -0.33 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 2bkg n TYR 135 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 2bkg n TYR 135 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bkg n GLY 136 N 1.37 1.05 3.76 2.72 0.00 -0.68 -4.85 105.19 108.56 2bkg n GLY 136 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2bkg n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkg n ALA 137 N -1.90 2.52 -2.60 4.61 0.00 -0.37 -4.89 120.51 117.88 2bkg n ALA 137 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2bkg n ALA 137 Cb 0.00 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 2bkg n ALA 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bkg s ASP 138 N 0.21 6.42 0.51 0.00 2.15 -1.26 -4.79 116.67 119.92 2bkg s ASP 138 Ca 0.59 -0.04 0.33 0.00 0.43 0.00 0.00 52.55 53.86 2bkg s ASP 138 Cb -0.48 -2.51 1.45 0.00 -0.30 0.00 0.00 42.92 41.08 2bkg s ASP 138 CO 0.56 -1.37 1.99 1.62 -0.17 0.00 0.00 175.17 177.80 2bkg h VAL 139 N 6.11 0.00 -0.49 1.11 3.04 -1.94 -2.74 116.25 121.35 2bkg h VAL 139 Ca -0.25 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2bkg h VAL 139 Cb 1.06 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2bkg h VAL 139 CO 1.14 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 178.29 2bkg n ASN 140 N -2.92 3.61 -4.76 3.17 3.02 -1.26 -4.48 115.26 111.63 2bkg n ASN 140 Ca 0.00 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 2bkg n ASN 140 Cb 0.25 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 2bkg n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkg s ALA 141 N -1.37 3.47 -0.03 5.41 0.00 -1.03 -4.95 121.76 123.25 2bkg s ALA 141 Ca 0.42 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.54 2bkg s ALA 141 Cb 0.24 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2bkg s ALA 141 CO 0.32 -0.47 -0.14 -0.65 0.00 0.00 0.00 175.76 174.82 2bkg s GLN 142 N -1.47 2.45 1.04 0.00 -0.21 -1.26 -4.28 119.66 115.93 2bkg s GLN 142 Ca 0.48 -0.73 -0.16 0.00 0.02 0.00 0.00 55.36 54.97 2bkg s GLN 142 Cb -0.37 -2.36 0.22 0.00 1.00 0.00 0.00 33.01 31.49 2bkg s GLN 142 CO 0.47 0.61 1.19 0.16 -2.12 0.00 0.00 175.29 175.61 2bkg s ASP 143 N -0.87 2.41 0.44 5.90 3.84 -0.37 -4.87 116.67 123.15 2bkg s ASP 143 Ca 0.12 0.59 0.30 0.00 -0.00 0.00 0.00 52.55 53.56 2bkg s ASP 143 Cb -0.11 -0.85 1.48 0.00 -1.38 0.00 0.00 42.92 42.07 2bkg s ASP 143 CO 0.02 -3.20 1.91 0.07 -0.00 0.00 0.00 175.17 173.97 2bkg h LYS 144 N -1.95 0.00 -0.10 2.11 2.10 -1.23 -0.91 116.57 116.59 2bkg h LYS 144 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2bkg h LYS 144 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2bkg h LYS 144 CO 0.43 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 179.07 2bkg n PHE 145 N -2.61 0.11 -0.37 0.07 3.72 -1.26 -4.95 117.46 112.17 2bkg n PHE 145 Ca -0.01 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2bkg n PHE 145 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2bkg n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bkg n GLY 146 N 1.24 0.79 3.73 1.37 0.00 -0.35 -5.07 105.19 106.90 2bkg n GLY 146 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2bkg n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bkg s LYS 147 N -0.63 4.61 0.61 1.61 -0.14 -1.26 -4.73 119.74 119.81 2bkg s LYS 147 Ca 0.00 1.30 0.01 0.00 -1.36 0.00 0.00 55.97 55.91 2bkg s LYS 147 Cb 0.00 -3.38 0.07 0.00 -1.68 0.00 0.00 37.83 32.84 2bkg s LYS 147 CO 0.00 0.22 0.86 0.95 -0.76 0.00 0.00 175.35 176.61 2bkg s THR 148 N 0.07 2.46 0.32 2.17 -4.23 -1.26 -1.23 115.64 113.94 2bkg s THR 148 Ca 0.44 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 2bkg s THR 148 Cb -0.22 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.02 2bkg s THR 148 CO 0.27 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.28 2bkg h ALA 149 N -0.15 1.41 0.08 3.99 0.00 -1.78 -1.65 119.26 121.16 2bkg h ALA 149 Ca -0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2bkg h ALA 149 Cb 1.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2bkg h ALA 149 CO 0.48 0.47 -0.04 0.35 0.00 0.00 0.00 179.25 180.51 2bkg h PHE 150 N 0.81 -0.10 -0.81 0.00 3.57 -1.84 -1.82 116.94 116.76 2bkg h PHE 150 Ca 0.20 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.88 2bkg h PHE 150 Cb 0.07 0.03 -0.11 0.00 2.79 0.00 0.00 35.95 38.73 2bkg h PHE 150 CO 0.01 -0.03 0.30 -0.44 -2.23 0.00 0.00 178.31 175.91 2bkg h ASP 151 N -0.15 0.21 -0.48 0.41 3.32 -1.81 -1.13 116.42 116.80 2bkg h ASP 151 Ca -0.01 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.22 2bkg h ASP 151 Cb 0.12 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2bkg h ASP 151 CO 0.02 0.02 0.23 0.40 -1.72 0.00 0.00 179.24 178.19 2bkg h ILE 152 N 0.38 0.95 -0.70 0.35 2.04 -0.99 0.11 117.51 119.63 2bkg h ILE 152 Ca 0.47 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 66.13 2bkg h ILE 152 Cb 0.81 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2bkg h ILE 152 CO -0.49 0.08 0.28 0.77 0.00 0.00 0.00 178.15 178.79 2bkg h SER 153 N 0.46 0.97 0.45 1.72 4.64 -0.37 -1.01 113.55 120.42 2bkg h SER 153 Ca 0.21 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2bkg h SER 153 Cb 0.13 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2bkg h SER 153 CO -0.16 0.88 -0.22 0.40 -0.87 0.00 0.00 176.83 176.87 2bkg h ILE 154 N 1.00 0.55 -1.04 0.95 1.08 -1.16 0.14 117.51 119.04 2bkg h ILE 154 Ca 0.23 -0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.96 2bkg h ILE 154 Cb 0.22 0.56 -0.10 0.00 -3.07 0.00 0.00 36.82 34.42 2bkg h ILE 154 CO -0.02 0.00 0.66 0.44 -0.69 0.00 0.00 178.15 178.54 2bkg h ASP 155 N -0.61 0.49 0.50 1.72 3.45 -0.56 -0.88 116.42 120.53 2bkg h ASP 155 Ca -0.06 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.49 2bkg h ASP 155 Cb 0.47 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 2bkg h ASP 155 CO 0.10 0.09 -0.45 0.59 -1.57 0.00 0.00 179.24 178.01 2bkg n ASN 156 N -4.67 0.52 -0.81 6.45 3.02 -0.40 -4.95 115.26 114.42 2bkg n ASN 156 Ca 0.26 -0.27 -0.07 0.00 -0.03 0.00 0.00 54.58 54.46 2bkg n ASN 156 Cb 0.85 0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 40.22 2bkg n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bkg n GLY 157 N 1.48 0.08 3.36 7.41 0.00 -0.33 -4.99 105.19 112.20 2bkg n GLY 157 Ca 0.06 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 2bkg n GLY 157 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bkg s ASN 158 N -2.68 6.19 0.06 1.61 3.84 0.36 -4.92 114.94 119.39 2bkg s ASN 158 Ca 0.00 -1.51 -0.16 0.00 0.21 0.00 0.00 52.86 51.39 2bkg s ASN 158 Cb -0.00 -2.26 -0.19 0.00 -0.55 0.00 0.00 41.25 38.25 2bkg s ASN 158 CO 0.00 -0.98 1.23 1.05 -2.79 0.00 0.00 177.10 175.60 2bkg h GLU 159 N 9.05 0.60 -0.32 0.43 9.09 -1.94 -2.01 114.58 129.47 2bkg h GLU 159 Ca -0.29 -0.52 -0.07 0.00 0.05 0.00 0.00 59.36 58.52 2bkg h GLU 159 Cb 1.09 0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 28.30 2bkg h GLU 159 CO 1.06 1.14 -0.11 -0.44 0.05 0.00 0.00 179.01 180.71 2bkg h ASP 160 N 0.23 0.53 -0.01 3.06 3.32 -1.97 -2.31 116.42 119.26 2bkg h ASP 160 Ca -0.05 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 2bkg h ASP 160 Cb 1.30 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2bkg h ASP 160 CO 0.13 0.68 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.24 2bkg h LEU 161 N 0.50 0.03 -0.99 1.55 3.38 -1.94 -3.16 115.31 114.69 2bkg h LEU 161 Ca 0.09 -0.57 0.23 0.00 0.09 0.00 0.00 57.88 57.72 2bkg h LEU 161 Cb 0.50 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 2bkg h LEU 161 CO 0.03 0.60 0.57 0.00 0.09 0.00 0.00 178.44 179.73 2bkg h ALA 162 N 0.43 1.71 -0.84 1.53 0.00 -1.23 -1.22 119.26 119.65 2bkg h ALA 162 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2bkg h ALA 162 Cb 0.59 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2bkg h ALA 162 CO 0.00 -0.23 0.51 1.49 0.00 0.00 0.00 179.25 181.02 2bkg h GLU 163 N 0.60 0.87 -0.01 0.00 4.81 -1.38 -2.46 114.58 117.01 2bkg h GLU 163 Ca 0.62 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 2bkg h GLU 163 Cb 1.12 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2bkg h GLU 163 CO -0.46 0.58 -0.32 0.44 -0.73 0.00 0.00 179.01 178.52 2bkg n ILE 164 N -4.67 0.00 1.06 2.32 -5.35 -0.53 -4.27 119.36 107.92 2bkg n ILE 164 Ca 0.13 -0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.49 2bkg n ILE 164 Cb 0.21 0.92 0.10 0.00 -1.74 0.00 0.00 39.64 39.13 2bkg n ILE 164 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2bkg n LEU 165 N -0.09 2.07 0.00 7.28 4.77 -0.78 -5.11 117.00 125.14 2bkg n LEU 165 Ca 0.11 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2bkg n LEU 165 Cb 0.43 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2bkg n LEU 165 CO 0.25 0.37 0.00 1.67 -1.33 0.00 0.00 177.39 178.35