#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2btf n GLY 2 N 0.00 1.65 0.29 0.00 0.00 -1.26 -2.63 105.19 103.24 2btf n GLY 2 Ca 0.00 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.52 2btf n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2btf h TRP 3 N 0.00 0.00 0.00 1.61 4.06 -2.02 -0.50 115.95 119.10 2btf h TRP 3 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2btf h TRP 3 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2btf h TRP 3 CO 0.00 0.03 -0.00 -0.91 -3.56 0.00 0.00 178.44 174.00 2btf h ASN 4 N 0.00 0.00 0.66 -3.49 2.35 -1.82 -1.72 115.58 111.56 2btf h ASN 4 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2btf h ASN 4 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2btf h ASN 4 CO 0.00 0.00 -0.36 0.00 -1.65 0.00 0.00 177.43 175.43 2btf h ALA 5 N 2.00 1.12 -0.08 -0.83 0.00 -1.25 -1.17 119.26 119.05 2btf h ALA 5 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2btf h ALA 5 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2btf h ALA 5 CO 0.00 0.45 -0.15 1.88 0.00 0.00 0.00 179.25 181.42 2btf h TYR 6 N 0.00 0.30 -0.03 0.00 -1.99 -1.50 -1.16 116.97 112.60 2btf h TYR 6 Ca -0.00 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 2btf h TYR 6 Cb 0.78 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.46 2btf h TYR 6 CO 0.00 0.75 -0.23 -0.84 -0.00 0.00 0.00 178.16 177.84 2btf h ILE 7 N -0.24 1.49 -0.26 -2.88 -0.00 -1.52 0.30 117.51 114.40 2btf h ILE 7 Ca 0.00 -1.77 -0.05 0.00 -0.00 0.00 0.00 64.86 63.05 2btf h ILE 7 Cb 0.74 2.54 -0.01 0.00 -0.00 0.00 0.00 36.82 40.08 2btf h ILE 7 CO 0.03 0.49 -0.04 0.44 -0.00 0.00 0.00 178.15 179.07 2btf h ASP 8 N -0.38 0.37 0.33 2.16 3.32 -1.32 0.58 116.42 121.47 2btf h ASP 8 Ca -0.02 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2btf h ASP 8 Cb 0.92 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2btf h ASP 8 CO 0.05 0.47 -0.27 0.78 -1.72 0.00 0.00 179.24 178.55 2btf h ASN 9 N 0.38 -0.70 -0.65 6.45 4.21 -0.95 -2.47 115.58 121.86 2btf h ASN 9 Ca 0.08 0.06 0.08 0.00 1.21 0.00 0.00 56.30 57.73 2btf h ASN 9 Cb 0.32 0.23 -0.06 0.00 -1.12 0.00 0.00 38.32 37.69 2btf h ASN 9 CO 0.01 -0.40 0.31 -0.07 -1.29 0.00 0.00 177.43 176.00 2btf h LEU 10 N -0.60 0.41 -0.47 1.61 3.38 0.17 0.12 115.31 119.93 2btf h LEU 10 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2btf h LEU 10 Cb 0.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2btf h LEU 10 CO -0.02 0.25 0.00 0.23 0.09 0.00 0.00 178.44 179.00 2btf n MET 11 N -4.88 0.10 -0.33 1.13 2.81 -0.28 -4.13 117.12 111.54 2btf n MET 11 Ca 0.09 0.40 0.11 0.00 -1.81 0.00 0.00 57.70 56.50 2btf n MET 11 Cb 0.23 -1.71 0.32 0.00 -0.71 0.00 0.00 33.22 31.35 2btf n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2btf h ALA 12 N 2.27 1.70 -0.52 3.04 0.00 -0.26 -3.18 119.26 122.31 2btf h ALA 12 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 2btf h ALA 12 Cb 0.23 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.75 2btf h ALA 12 CO 0.00 0.01 0.13 -0.40 0.00 0.00 0.00 179.25 178.98 2btf n ASP 13 N -4.65 3.26 -3.51 0.00 5.75 -1.26 -4.96 116.55 111.17 2btf n ASP 13 Ca 0.20 -3.55 -0.20 0.00 -0.01 0.00 0.00 54.79 51.23 2btf n ASP 13 Cb 0.49 -0.68 0.08 0.00 -1.03 0.00 0.00 41.12 39.98 2btf n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2btf n GLY 14 N -0.91 -0.42 0.00 6.12 0.00 -1.20 -4.85 105.19 103.92 2btf n GLY 14 Ca 0.38 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2btf n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2btf n THR 15 N -4.44 0.00 -2.96 2.61 -2.24 -1.26 -5.01 114.28 100.98 2btf n THR 15 Ca -0.19 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 2btf n THR 15 Cb 0.63 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2btf n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2btf n GLN 17 N -1.38 4.22 -3.54 0.00 10.64 0.81 -4.64 117.38 123.49 2btf n GLN 17 Ca 0.01 -0.16 -0.14 0.00 -1.83 0.00 0.00 57.00 54.88 2btf n GLN 17 Cb 0.54 -0.82 -0.05 0.00 -0.86 0.00 0.00 30.24 29.05 2btf n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2btf s ASP 18 N -1.34 -0.48 -0.01 2.61 -1.08 -1.21 -4.99 116.67 110.17 2btf s ASP 18 Ca 0.03 0.18 -0.24 0.00 -0.52 0.00 0.00 52.55 51.99 2btf s ASP 18 Cb 0.04 0.52 0.05 0.00 -1.46 0.00 0.00 42.92 42.07 2btf s ASP 18 CO 0.20 -0.76 0.54 0.00 0.52 0.00 0.00 175.17 175.67 2btf s ALA 19 N -2.62 -1.39 -0.14 3.66 0.00 -1.26 -1.49 121.76 118.51 2btf s ALA 19 Ca -0.04 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2btf s ALA 19 Cb -0.00 0.16 0.13 0.00 0.00 0.00 0.00 23.12 23.41 2btf s ALA 19 CO -0.03 -0.40 1.02 0.00 0.00 0.00 0.00 175.76 176.35 2btf s ALA 20 N -1.70 -1.94 -0.03 0.00 0.00 -1.01 -1.47 121.76 115.61 2btf s ALA 20 Ca -0.09 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.39 2btf s ALA 20 Cb -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2btf s ALA 20 CO 0.04 -0.42 -0.13 0.42 0.00 0.00 0.00 175.76 175.67 2btf s ILE 21 N -1.67 1.13 -0.07 0.00 1.01 0.47 -2.36 121.20 119.71 2btf s ILE 21 Ca 0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 2btf s ILE 21 Cb -0.01 -0.98 0.04 0.00 0.01 0.00 0.00 42.46 41.52 2btf s ILE 21 CO -0.02 0.33 0.07 -0.69 0.00 0.00 0.00 174.94 174.64 2btf s VAL 22 N 0.08 -0.12 -0.31 2.92 1.01 -0.94 -0.49 120.40 122.55 2btf s VAL 22 Ca -0.03 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2btf s VAL 22 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2btf s VAL 22 CO 0.01 0.07 1.69 -0.83 0.00 0.00 0.00 175.10 176.04 2btf s GLY 23 N 2.17 0.96 0.00 4.51 0.00 0.12 -0.51 107.32 114.56 2btf s GLY 23 Ca 0.04 0.25 0.19 0.00 0.00 0.00 0.00 44.72 45.21 2btf s GLY 23 CO -0.05 3.12 1.70 1.58 0.00 0.00 0.00 173.10 179.45 2btf n TYR 24 N 9.55 0.03 -2.19 1.90 4.11 -0.97 -2.21 117.16 127.37 2btf n TYR 24 Ca 0.21 -0.01 -0.32 0.00 -0.00 0.00 0.00 57.90 57.77 2btf n TYR 24 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.80 2btf n TYR 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2btf s LYS 25 N -1.97 3.61 0.88 -3.48 -0.14 -1.26 -4.53 119.74 112.85 2btf s LYS 25 Ca 0.29 1.07 0.00 0.00 -1.36 0.00 0.00 55.97 55.97 2btf s LYS 25 Cb 0.14 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.20 2btf s LYS 25 CO 0.22 -0.56 0.00 -0.25 -0.76 0.00 0.00 175.35 174.00 2btf n ASP 26 N -1.86 0.00 -4.67 2.83 8.00 -1.26 -3.43 116.55 116.16 2btf n ASP 26 Ca 0.08 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.17 2btf n ASP 26 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 2btf n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2btf s SER 27 N -4.00 6.89 0.33 -2.24 0.15 -1.26 -5.00 113.70 108.58 2btf s SER 27 Ca 0.00 1.10 -0.27 0.00 0.70 0.00 0.00 55.95 57.47 2btf s SER 27 Cb 0.00 -2.43 -0.13 0.00 -1.71 0.00 0.00 66.02 61.75 2btf s SER 27 CO 0.00 -0.36 1.05 -0.81 1.20 0.00 0.00 173.24 174.32 2btf n PRO 28 N 5.13 1.49 -3.67 5.44 -0.04 -1.22 -4.89 135.00 137.23 2btf n PRO 28 Ca 0.03 0.52 -0.09 0.00 -0.04 0.00 0.00 63.50 63.92 2btf n PRO 28 Cb 0.49 -1.97 -0.09 0.00 -0.04 0.00 0.00 33.50 31.89 2btf n PRO 28 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2btf s SER 29 N -0.56 -0.58 0.06 3.54 0.01 -0.94 -4.78 113.70 110.45 2btf s SER 29 Ca 0.59 1.07 -0.31 0.00 1.31 0.00 0.00 55.95 58.62 2btf s SER 29 Cb -0.64 1.10 -0.07 0.00 0.21 0.00 0.00 66.02 66.61 2btf s SER 29 CO 0.60 -0.21 1.45 -0.69 0.41 0.00 0.00 173.24 174.79 2btf s VAL 30 N 1.79 3.42 -0.05 3.43 1.01 -1.26 0.10 120.40 128.83 2btf s VAL 30 Ca -0.08 0.91 0.22 0.00 0.00 0.00 0.00 61.98 63.03 2btf s VAL 30 Cb -0.09 -3.58 -0.33 0.00 0.00 0.00 0.00 36.38 32.38 2btf s VAL 30 CO -0.15 0.03 0.45 0.79 0.00 0.00 0.00 175.10 176.22 2btf n TRP 31 N 4.87 0.02 -3.62 5.22 8.01 0.36 -4.88 117.44 127.42 2btf n TRP 31 Ca 0.13 0.01 -0.12 0.00 -1.31 0.00 0.00 57.50 56.20 2btf n TRP 31 Cb 0.42 -0.56 -0.07 0.00 -2.01 0.00 0.00 31.31 29.10 2btf n TRP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2btf s ALA 32 N -3.41 -1.87 0.00 6.99 0.00 -1.14 -4.82 121.76 117.51 2btf s ALA 32 Ca -0.08 1.87 -0.24 0.00 0.00 0.00 0.00 51.96 53.51 2btf s ALA 32 Cb 0.13 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 22.16 2btf s ALA 32 CO 0.90 -0.30 0.53 0.00 0.00 0.00 0.00 175.76 176.89 2btf s ALA 33 N 0.06 -1.36 -0.16 0.00 0.00 -1.26 -0.39 121.76 118.64 2btf s ALA 33 Ca 0.00 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 2btf s ALA 33 Cb -0.04 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2btf s ALA 33 CO -0.01 -0.41 1.65 0.08 0.00 0.00 0.00 175.76 177.07 2btf s VAL 34 N -1.80 3.64 0.31 0.00 1.01 -0.54 -4.91 120.40 118.12 2btf s VAL 34 Ca -0.09 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 2btf s VAL 34 Cb -0.01 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.64 2btf s VAL 34 CO 0.03 -0.20 1.37 -2.65 0.00 0.00 0.00 175.10 173.66 2btf n PRO 35 N 7.50 2.21 -1.26 2.72 -0.02 -1.26 -2.98 135.00 141.92 2btf n PRO 35 Ca 0.19 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2btf n PRO 35 Cb 0.44 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2btf n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2btf n GLY 36 N 1.26 1.01 0.00 -1.23 0.00 -1.26 -4.98 105.19 99.99 2btf n GLY 36 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2btf n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2btf n LYS 37 N -1.95 3.86 -0.07 1.61 4.76 -1.16 -5.07 118.16 120.14 2btf n LYS 37 Ca -0.09 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.21 2btf n LYS 37 Cb 0.39 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.45 2btf n LYS 37 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2btf h THR 38 N 0.00 1.78 0.00 -0.18 2.02 -1.94 -3.37 112.91 111.23 2btf h THR 38 Ca 0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2btf h THR 38 Cb 0.00 3.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 2btf h THR 38 CO 0.00 0.60 0.00 -0.26 0.37 0.00 0.00 175.52 176.23 2btf h PHE 39 N -0.97 0.00 -0.03 3.16 0.04 -1.89 0.47 116.94 117.73 2btf h PHE 39 Ca -0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 2btf h PHE 39 Cb 1.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2btf h PHE 39 CO 0.27 0.00 0.07 -0.24 -0.60 0.00 0.00 178.31 177.81 2btf h VAL 40 N 0.00 0.22 -0.62 -0.55 3.04 -1.82 -0.82 116.25 115.69 2btf h VAL 40 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2btf h VAL 40 Cb 0.31 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2btf h VAL 40 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 2btf n ASN 41 N -3.38 3.62 -4.67 3.17 5.03 0.16 -4.98 115.26 114.21 2btf n ASN 41 Ca -0.02 -1.99 -0.35 0.00 0.87 0.00 0.00 54.58 53.09 2btf n ASN 41 Cb 0.15 -0.41 0.11 0.00 -1.02 0.00 0.00 39.78 38.60 2btf n ASN 41 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2btf n ILE 42 N 1.50 2.68 -4.46 2.41 5.41 -0.32 -4.40 119.36 122.18 2btf n ILE 42 Ca 0.22 -0.30 -0.22 0.00 1.00 0.00 0.00 62.75 63.46 2btf n ILE 42 Cb 0.58 -1.21 -0.10 0.00 -0.71 0.00 0.00 39.64 38.21 2btf n ILE 42 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2btf s THR 43 N -1.93 1.08 0.27 1.39 -4.23 -1.26 -4.91 115.64 106.05 2btf s THR 43 Ca 0.74 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2btf s THR 43 Cb -0.32 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.04 2btf s THR 43 CO 0.49 0.00 1.92 -0.65 -0.54 0.00 0.00 174.62 175.85 2btf h PRO 44 N 2.08 1.14 0.25 3.99 0.11 -1.96 -2.56 132.00 135.06 2btf h PRO 44 Ca -0.40 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2btf h PRO 44 Cb 1.25 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2btf h PRO 44 CO 0.68 0.79 -0.15 0.00 -0.21 0.00 0.00 178.00 179.11 2btf h ALA 45 N 1.40 -0.38 0.00 -0.75 0.00 -1.98 0.06 119.26 117.62 2btf h ALA 45 Ca 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2btf h ALA 45 Cb -0.06 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2btf h ALA 45 CO -0.06 -0.72 -0.21 0.93 0.00 0.00 0.00 179.25 179.19 2btf h GLU 46 N -0.39 0.00 -0.13 0.00 5.08 -1.86 0.14 114.58 117.42 2btf h GLU 46 Ca -0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2btf h GLU 46 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2btf h GLU 46 CO 0.03 0.21 -0.33 0.28 -1.00 0.00 0.00 179.01 178.20 2btf h VAL 47 N 0.00 1.37 -0.77 3.13 2.07 -1.18 -0.83 116.25 120.04 2btf h VAL 47 Ca -0.00 -1.63 0.06 0.00 0.82 0.00 0.00 66.70 65.94 2btf h VAL 47 Cb 0.41 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2btf h VAL 47 CO 0.03 0.48 0.51 1.23 0.02 0.00 0.00 177.57 179.84 2btf h GLY 48 N 0.04 1.06 0.64 2.17 0.00 0.12 0.49 103.07 107.59 2btf h GLY 48 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2btf h GLY 48 CO 0.07 0.27 -0.20 -2.22 0.00 0.00 0.00 176.54 174.46 2btf h ILE 49 N 0.86 0.47 0.00 2.60 5.03 -0.85 -1.09 117.51 124.54 2btf h ILE 49 Ca 0.33 -0.56 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 2btf h ILE 49 Cb 0.18 0.69 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 2btf h ILE 49 CO -0.11 0.08 0.18 -0.07 -0.68 0.00 0.00 178.15 177.56 2btf h LEU 50 N -0.92 0.00 -2.35 1.44 3.38 0.14 -1.38 115.31 115.62 2btf h LEU 50 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2btf h LEU 50 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2btf h LEU 50 CO 0.09 0.00 -0.26 0.52 0.09 0.00 0.00 178.44 178.88 2btf n VAL 51 N -2.82 0.75 -2.25 1.22 0.31 -0.66 -4.95 118.33 109.93 2btf n VAL 51 Ca -0.02 -0.89 -0.36 0.00 -0.01 0.00 0.00 64.34 63.06 2btf n VAL 51 Cb 0.24 0.26 -0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2btf n VAL 51 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2btf s GLY 52 N -1.63 2.69 0.26 2.92 0.00 -0.41 -4.95 107.32 106.19 2btf s GLY 52 Ca 0.12 0.87 0.03 0.00 0.00 0.00 0.00 44.72 45.74 2btf s GLY 52 CO 0.01 1.26 1.64 1.70 0.00 0.00 0.00 173.10 177.71 2btf h LYS 53 N 1.49 0.36 -6.52 2.90 3.11 -1.88 -3.37 116.57 112.65 2btf h LYS 53 Ca -0.50 -0.19 -0.55 0.00 -2.81 0.00 0.00 60.65 56.61 2btf h LYS 53 Cb 1.26 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 32.42 2btf h LYS 53 CO 0.58 0.74 1.01 0.34 -2.81 0.00 0.00 179.45 179.30 2btf s ASP 54 N -6.87 6.36 -0.19 4.20 2.15 -1.26 -4.82 116.67 116.24 2btf s ASP 54 Ca -0.05 0.04 0.08 0.00 0.43 0.00 0.00 52.55 53.05 2btf s ASP 54 Cb 0.13 -2.55 0.54 0.00 -0.30 0.00 0.00 42.92 40.73 2btf s ASP 54 CO 0.80 -1.57 1.39 -1.14 -0.17 0.00 0.00 175.17 174.48 2btf n ARG 55 N 8.62 3.34 0.00 4.34 3.00 -1.26 -4.52 116.66 130.18 2btf n ARG 55 Ca 0.08 -2.12 0.00 0.00 -0.00 0.00 0.00 57.85 55.81 2btf n ARG 55 Cb 0.49 -1.98 0.00 0.00 0.00 0.00 0.00 32.46 30.97 2btf n ARG 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2btf n SER 56 N 0.24 1.65 0.07 6.15 7.64 -1.26 -4.79 113.62 123.31 2btf n SER 56 Ca 0.23 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.18 2btf n SER 56 Cb 0.96 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.52 2btf n SER 56 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2btf n SER 57 N -2.08 0.30 0.00 6.43 7.64 -1.26 -1.34 113.62 123.31 2btf n SER 57 Ca 0.00 0.59 0.05 0.00 1.01 0.00 0.00 58.87 60.52 2btf n SER 57 Cb 0.24 -0.65 0.27 0.00 -1.01 0.00 0.00 64.21 63.06 2btf n SER 57 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2btf n PHE 58 N -1.85 0.00 0.06 1.43 1.16 -1.26 -2.16 117.46 114.84 2btf n PHE 58 Ca 0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.53 2btf n PHE 58 Cb 0.14 -0.32 -0.11 0.00 -1.61 0.00 0.00 39.48 37.58 2btf n PHE 58 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 2btf h PHE 59 N 0.00 0.00 0.00 2.97 0.04 -1.54 -2.83 116.94 115.58 2btf h PHE 59 Ca 0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 2btf h PHE 59 Cb 0.12 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 2btf h PHE 59 CO 0.00 0.97 -1.61 0.28 -0.60 0.00 0.00 178.31 177.36 2btf n VAL 60 N -3.35 1.51 0.09 -0.55 0.31 -1.12 -4.66 118.33 110.56 2btf n VAL 60 Ca 0.00 -0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.25 2btf n VAL 60 Cb 0.93 -2.16 0.26 0.00 -0.91 0.00 0.00 33.84 31.95 2btf n VAL 60 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2btf h ASN 61 N -1.00 0.27 -4.22 4.52 2.35 -1.63 -3.50 115.58 112.37 2btf h ASN 61 Ca -0.28 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2btf h ASN 61 Cb 1.24 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.54 2btf h ASN 61 CO -0.17 0.59 0.00 0.61 -1.65 0.00 0.00 177.43 176.81 2btf n GLY 62 N -0.36 -1.05 3.15 2.83 0.00 -1.07 -5.05 105.19 103.64 2btf n GLY 62 Ca -0.01 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 2btf n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2btf s LEU 63 N -2.59 2.00 0.13 0.99 0.05 -1.10 -4.67 118.68 113.49 2btf s LEU 63 Ca 0.00 -0.90 0.11 0.00 0.05 0.00 0.00 54.13 53.39 2btf s LEU 63 Cb 0.00 0.53 -0.04 0.00 -2.05 0.00 0.00 46.19 44.63 2btf s LEU 63 CO 0.00 -0.67 -0.26 0.42 -0.55 0.00 0.00 176.35 175.29 2btf s THR 64 N -3.91 2.21 -0.15 5.48 -4.23 -1.26 -0.11 115.64 113.68 2btf s THR 64 Ca 0.08 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2btf s THR 64 Cb 0.07 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 72.00 2btf s THR 64 CO -0.09 0.09 0.07 -0.22 -0.54 0.00 0.00 174.62 173.93 2btf s LEU 65 N -2.03 0.44 0.00 4.79 2.96 0.08 -4.82 118.68 120.10 2btf s LEU 65 Ca 0.13 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2btf s LEU 65 Cb -0.10 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.31 2btf s LEU 65 CO 0.06 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 2btf n GLY 66 N 5.24 0.33 0.33 7.98 0.00 -1.26 -2.44 105.19 115.38 2btf n GLY 66 Ca -0.07 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.22 2btf n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2btf n GLY 67 N 0.00 1.68 3.66 -0.02 0.00 -1.26 -4.83 105.19 104.42 2btf n GLY 67 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2btf n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2btf s GLN 68 N -0.85 4.15 0.22 1.61 2.00 -1.02 -4.96 119.66 120.81 2btf s GLN 68 Ca 0.11 2.53 -0.27 0.00 -2.00 0.00 0.00 55.36 55.74 2btf s GLN 68 Cb 0.06 -4.06 -0.09 0.00 0.80 0.00 0.00 33.01 29.73 2btf s GLN 68 CO 0.09 -0.92 0.86 0.15 -0.50 0.00 0.00 175.29 174.96 2btf s LYS 69 N 4.16 4.66 -0.02 1.67 1.02 -1.26 -0.74 119.74 129.24 2btf s LYS 69 Ca 0.85 1.29 -0.00 0.00 0.02 0.00 0.00 55.97 58.12 2btf s LYS 69 Cb -0.41 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2btf s LYS 69 CO 0.39 0.51 0.03 0.00 -0.92 0.00 0.00 175.35 175.35 2btf s SER 71 N 0.80 7.45 -0.06 0.00 0.01 0.27 -2.72 113.70 119.45 2btf s SER 71 Ca -0.07 1.73 -0.30 0.00 1.31 0.00 0.00 55.95 58.63 2btf s SER 71 Cb -0.10 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2btf s SER 71 CO -0.02 -0.06 1.01 -0.69 0.41 0.00 0.00 173.24 173.89 2btf s VAL 72 N 0.02 4.78 0.00 3.43 1.01 -1.26 -1.72 120.40 126.65 2btf s VAL 72 Ca 0.46 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.46 2btf s VAL 72 Cb -0.23 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2btf s VAL 72 CO 0.29 0.06 0.00 -0.38 0.00 0.00 0.00 175.10 175.07 2btf n ILE 73 N 4.30 0.00 -4.62 2.22 5.41 -0.41 -4.95 119.36 121.31 2btf n ILE 73 Ca 0.08 0.48 -0.31 0.00 1.00 0.00 0.00 62.75 64.00 2btf n ILE 73 Cb 0.49 -1.47 -0.12 0.00 -0.71 0.00 0.00 39.64 37.83 2btf n ILE 73 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2btf s ARG 74 N -0.97 2.18 -0.23 0.38 0.52 -1.14 -4.98 118.95 114.71 2btf s ARG 74 Ca 0.00 -0.92 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 2btf s ARG 74 Cb 0.00 -2.26 0.07 0.00 0.52 0.00 0.00 34.95 33.28 2btf s ARG 74 CO 0.00 0.55 -0.01 0.34 0.02 0.00 0.00 175.30 176.21 2btf s ASP 75 N -1.42 3.60 -0.26 0.23 2.15 -1.26 -1.61 116.67 118.10 2btf s ASP 75 Ca 0.15 -1.14 0.16 0.00 0.43 0.00 0.00 52.55 52.15 2btf s ASP 75 Cb -0.11 -0.98 0.48 0.00 -0.30 0.00 0.00 42.92 42.02 2btf s ASP 75 CO 0.06 -0.28 1.15 -1.20 -0.17 0.00 0.00 175.17 174.73 2btf n SER 76 N 4.79 3.00 0.01 -0.34 7.64 0.15 -4.91 113.62 123.96 2btf n SER 76 Ca -0.10 -2.85 -0.12 0.00 1.01 0.00 0.00 58.87 56.82 2btf n SER 76 Cb 0.45 -0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 2btf n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2btf h LEU 77 N 2.28 0.04 -0.35 -3.43 7.12 -1.49 -1.89 115.31 117.59 2btf h LEU 77 Ca 0.08 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2btf h LEU 77 Cb 1.40 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.52 2btf h LEU 77 CO 0.42 0.25 -0.01 0.18 -0.13 0.00 0.00 178.44 179.15 2btf n LEU 78 N -4.96 0.55 -4.71 2.25 4.32 -1.26 -3.93 117.00 109.27 2btf n LEU 78 Ca -0.07 -0.17 -0.37 0.00 -0.02 0.00 0.00 56.01 55.38 2btf n LEU 78 Cb 0.13 -0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 41.85 2btf n LEU 78 CO 0.34 0.09 0.03 -1.10 -1.22 0.00 0.00 177.39 175.52 2btf s GLN 79 N -2.03 4.25 0.30 3.23 1.11 -1.08 -4.96 119.66 120.48 2btf s GLN 79 Ca 0.43 0.15 -0.30 0.00 0.01 0.00 0.00 55.36 55.66 2btf s GLN 79 Cb 0.22 -3.45 -0.11 0.00 -1.01 0.00 0.00 33.01 28.65 2btf s GLN 79 CO 0.36 0.17 1.54 0.34 0.01 0.00 0.00 175.29 177.71 2btf s ASP 80 N 0.62 6.42 0.00 5.90 2.15 -1.26 -1.07 116.67 129.43 2btf s ASP 80 Ca 0.18 2.92 0.00 0.00 0.43 0.00 0.00 52.55 56.08 2btf s ASP 80 Cb -0.14 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 2btf s ASP 80 CO 0.05 -0.86 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 2btf n GLY 81 N 1.79 0.20 0.41 2.66 0.00 -1.26 -4.78 105.19 104.22 2btf n GLY 81 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 2btf n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2btf n GLU 82 N -1.01 0.30 -0.51 1.61 1.02 -0.23 -5.02 120.64 116.80 2btf n GLU 82 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2btf n GLU 82 Cb 0.19 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 2btf n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2btf n PHE 83 N -3.91 0.00 -4.20 -0.32 3.72 -0.73 -4.94 117.46 107.08 2btf n PHE 83 Ca -0.08 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.03 2btf n PHE 83 Cb 0.29 -1.26 -0.09 0.00 -0.94 0.00 0.00 39.48 37.49 2btf n PHE 83 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2btf s THR 84 N -1.38 3.62 -0.01 4.37 -4.23 -1.15 -1.96 115.64 114.90 2btf s THR 84 Ca 0.00 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.26 2btf s THR 84 Cb 0.00 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 2btf s THR 84 CO 0.00 0.03 -0.07 -0.32 -0.54 0.00 0.00 174.62 173.72 2btf s MET 85 N -2.50 0.61 -0.02 3.99 1.75 -0.37 0.30 119.30 123.06 2btf s MET 85 Ca 0.24 -0.26 0.08 0.00 -1.25 0.00 0.00 55.69 54.50 2btf s MET 85 Cb -0.11 -0.59 -0.02 0.00 2.84 0.00 0.00 34.83 36.96 2btf s MET 85 CO 0.16 0.16 -0.25 -0.51 -0.65 0.00 0.00 175.02 173.93 2btf s ASP 86 N -0.16 2.97 0.05 1.11 1.11 -0.63 -1.15 116.67 119.96 2btf s ASP 86 Ca 0.03 -0.46 0.00 0.00 0.18 0.00 0.00 52.55 52.30 2btf s ASP 86 Cb -0.03 -0.35 -0.03 0.00 1.07 0.00 0.00 42.92 43.58 2btf s ASP 86 CO -0.00 0.31 -0.04 -0.76 1.18 0.00 0.00 175.17 175.85 2btf s LEU 87 N -0.58 2.39 0.01 1.23 1.02 0.50 -1.28 118.68 121.97 2btf s LEU 87 Ca 0.09 -0.79 0.03 0.00 0.02 0.00 0.00 54.13 53.49 2btf s LEU 87 Cb -0.10 0.07 -0.01 0.00 0.02 0.00 0.00 46.19 46.17 2btf s LEU 87 CO -0.01 -0.43 -0.11 -0.60 0.02 0.00 0.00 176.35 175.22 2btf s ARG 88 N -2.85 0.79 0.15 1.70 6.06 -0.70 -0.52 118.95 123.58 2btf s ARG 88 Ca -0.01 -0.53 -0.26 0.00 -2.50 0.00 0.00 55.73 52.43 2btf s ARG 88 Cb -0.00 -0.75 -0.08 0.00 0.06 0.00 0.00 34.95 34.18 2btf s ARG 88 CO -0.05 0.19 0.80 0.99 -2.50 0.00 0.00 175.30 174.73 2btf s THR 89 N -0.57 4.39 0.03 4.11 2.01 -1.18 0.95 115.64 125.39 2btf s THR 89 Ca 0.01 1.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.59 2btf s THR 89 Cb -0.06 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 2btf s THR 89 CO 0.00 0.49 0.46 -0.54 -0.69 0.00 0.00 174.62 174.35 2btf s LYS 90 N -0.97 4.00 0.39 4.92 -0.14 -0.76 -4.43 119.74 122.76 2btf s LYS 90 Ca 0.37 0.51 0.08 0.00 -1.36 0.00 0.00 55.97 55.56 2btf s LYS 90 Cb -0.23 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 2btf s LYS 90 CO 0.26 0.66 0.20 -1.54 -0.76 0.00 0.00 175.35 174.18 2btf s SER 91 N -1.13 4.62 -0.02 2.83 1.04 -1.26 -4.82 113.70 114.96 2btf s SER 91 Ca 0.26 -0.91 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 2btf s SER 91 Cb -0.17 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.36 2btf s SER 91 CO 0.15 -0.47 0.05 0.42 0.98 0.00 0.00 173.24 174.38 2btf s THR 92 N -2.51 0.01 -0.97 2.02 -4.23 -1.26 -4.91 115.64 103.78 2btf s THR 92 Ca 0.41 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 2btf s THR 92 Cb 0.00 -0.11 0.00 0.00 1.34 0.00 0.00 72.50 73.73 2btf s THR 92 CO 0.23 -0.04 0.07 0.61 -0.54 0.00 0.00 174.62 174.95 2btf n GLY 93 N 2.91 -0.09 3.29 3.99 0.00 -1.26 -2.86 105.19 111.18 2btf n GLY 93 Ca -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2btf n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2btf n GLY 94 N -1.05 0.96 3.69 -0.02 0.00 -1.26 -5.03 105.19 102.48 2btf n GLY 94 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2btf n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2btf s ALA 95 N -3.13 1.64 0.91 4.61 0.00 -1.13 -4.97 121.76 119.68 2btf s ALA 95 Ca 0.00 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.54 2btf s ALA 95 Cb 0.00 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.80 2btf s ALA 95 CO 0.00 -2.55 1.14 -2.14 0.00 0.00 0.00 175.76 172.21 2btf s PRO 96 N -4.46 1.05 0.44 0.00 0.02 -1.26 -4.82 135.00 125.98 2btf s PRO 96 Ca 0.69 1.53 0.06 0.00 0.02 0.00 0.00 61.00 63.30 2btf s PRO 96 Cb -0.25 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 2btf s PRO 96 CO 0.55 -2.60 0.07 0.95 -0.33 0.00 0.00 177.00 175.64 2btf s THR 97 N -2.66 1.86 -0.08 0.99 -4.23 -1.26 -4.84 115.64 105.42 2btf s THR 97 Ca 0.67 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.24 2btf s THR 97 Cb -0.23 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 70.90 2btf s THR 97 CO 0.58 0.00 0.18 -0.36 -0.54 0.00 0.00 174.62 174.48 2btf s PHE 98 N -2.73 -0.21 0.52 3.99 0.08 -1.26 -4.63 117.98 113.73 2btf s PHE 98 Ca 0.30 0.56 -0.19 0.00 0.12 0.00 0.00 56.93 57.72 2btf s PHE 98 Cb 0.06 -0.02 -0.07 0.00 -0.57 0.00 0.00 43.02 42.41 2btf s PHE 98 CO 0.16 -0.17 1.04 -0.80 -0.10 0.00 0.00 175.22 175.35 2btf s ASN 99 N 1.01 6.21 -0.02 1.36 -0.87 -1.26 -3.07 114.94 118.30 2btf s ASN 99 Ca -0.08 1.88 0.01 0.00 -1.57 0.00 0.00 52.86 53.10 2btf s ASN 99 Cb -0.09 -2.55 0.01 0.00 -0.02 0.00 0.00 41.25 38.59 2btf s ASN 99 CO -0.06 -0.87 -0.04 -0.63 -2.57 0.00 0.00 177.10 172.93 2btf s ILE 100 N -2.15 0.40 0.09 0.60 1.01 0.32 -1.38 121.20 120.09 2btf s ILE 100 Ca 0.66 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 61.27 2btf s ILE 100 Cb -0.16 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 2btf s ILE 100 CO 0.25 0.15 -0.27 -0.89 0.00 0.00 0.00 174.94 174.18 2btf s THR 101 N 0.35 2.20 -0.03 2.92 2.01 -1.03 -0.37 115.64 121.69 2btf s THR 101 Ca -0.04 -1.58 0.04 0.00 0.31 0.00 0.00 61.69 60.43 2btf s THR 101 Cb -0.07 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 2btf s THR 101 CO -0.00 0.23 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.31 2btf s VAL 102 N -0.93 1.25 -0.07 3.82 1.01 -0.30 -2.61 120.40 122.57 2btf s VAL 102 Ca 0.13 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2btf s VAL 102 Cb -0.10 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2btf s VAL 102 CO 0.04 0.36 -0.11 -0.89 0.00 0.00 0.00 175.10 174.50 2btf s THR 103 N -0.10 1.07 -0.17 3.92 2.01 -0.23 -1.23 115.64 120.91 2btf s THR 103 Ca 0.00 -0.43 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 2btf s THR 103 Cb -0.09 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 2btf s THR 103 CO 0.01 0.35 0.31 -0.32 -0.69 0.00 0.00 174.62 174.27 2btf s MET 104 N 0.81 4.23 0.00 4.92 1.75 -0.83 -1.51 119.30 128.67 2btf s MET 104 Ca -0.12 0.09 0.00 0.00 -1.25 0.00 0.00 55.69 54.41 2btf s MET 104 Cb -0.15 -3.46 0.00 0.00 2.84 0.00 0.00 34.83 34.06 2btf s MET 104 CO 0.02 0.17 0.00 0.25 -0.65 0.00 0.00 175.02 174.81 2btf n THR 105 N 3.78 0.00 -0.31 10.11 -2.24 -0.59 -4.84 114.28 120.20 2btf n THR 105 Ca -0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.63 2btf n THR 105 Cb 0.52 -0.43 0.08 0.00 -2.10 0.00 0.00 70.33 68.40 2btf n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2btf h ALA 106 N 0.19 1.06 0.00 6.98 0.00 -1.87 -3.36 119.26 122.25 2btf h ALA 106 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2btf h ALA 106 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2btf h ALA 106 CO 0.00 0.48 -0.50 1.63 0.00 0.00 0.00 179.25 180.86 2btf n LYS 107 N -4.49 2.81 -4.11 0.00 5.02 0.19 -5.03 118.16 112.55 2btf n LYS 107 Ca 0.09 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.15 2btf n LYS 107 Cb 0.02 -0.75 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 2btf n LYS 107 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2btf s THR 108 N -1.10 4.48 -0.21 -0.18 2.01 -1.19 -2.30 115.64 117.16 2btf s THR 108 Ca 0.00 -1.36 0.01 0.00 0.31 0.00 0.00 61.69 60.65 2btf s THR 108 Cb 0.00 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.15 2btf s THR 108 CO 0.00 -0.33 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.28 2btf s LEU 109 N -3.78 2.44 -0.23 4.42 2.96 0.33 -1.54 118.68 123.28 2btf s LEU 109 Ca 0.33 -0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 53.17 2btf s LEU 109 Cb -0.08 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 2btf s LEU 109 CO 0.25 -0.15 0.14 -0.69 -1.32 0.00 0.00 176.35 174.57 2btf s VAL 110 N 1.36 5.21 0.19 1.68 1.01 -0.57 -2.21 120.40 127.08 2btf s VAL 110 Ca -0.02 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.18 2btf s VAL 110 Cb -0.17 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2btf s VAL 110 CO -0.08 0.37 -0.19 -0.76 0.00 0.00 0.00 175.10 174.44 2btf s LEU 111 N 0.96 2.48 -0.29 3.92 1.02 -0.99 -1.06 118.68 124.72 2btf s LEU 111 Ca 0.07 -0.92 -0.16 0.00 0.02 0.00 0.00 54.13 53.14 2btf s LEU 111 Cb -0.13 -0.88 0.13 0.00 0.02 0.00 0.00 46.19 45.33 2btf s LEU 111 CO 0.03 -0.03 0.92 -0.22 0.02 0.00 0.00 176.35 177.08 2btf s LEU 112 N -2.92 -0.59 -0.10 1.79 1.98 -1.07 -2.41 118.68 115.35 2btf s LEU 112 Ca 0.20 0.95 0.02 0.00 -2.89 0.00 0.00 54.13 52.41 2btf s LEU 112 Cb -0.05 1.87 -0.02 0.00 0.66 0.00 0.00 46.19 48.66 2btf s LEU 112 CO 0.08 -0.15 -0.16 -0.32 -1.89 0.00 0.00 176.35 173.91 2btf s MET 113 N 1.36 3.02 0.72 1.98 -2.45 -0.56 -2.45 119.30 120.92 2btf s MET 113 Ca -0.09 -0.74 -0.10 0.00 -1.25 0.00 0.00 55.69 53.52 2btf s MET 113 Cb -0.04 -2.47 0.05 0.00 1.25 0.00 0.00 34.83 33.62 2btf s MET 113 CO -0.16 0.33 1.08 0.20 1.05 0.00 0.00 175.02 177.53 2btf s GLY 114 N 0.01 1.63 0.76 2.11 0.00 -0.48 -0.14 107.32 111.21 2btf s GLY 114 Ca -0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 43.91 2btf s GLY 114 CO 0.04 -0.24 1.12 1.25 0.00 0.00 0.00 173.10 175.28 2btf s LYS 115 N -5.35 2.43 0.27 2.90 2.20 0.22 -4.10 119.74 118.31 2btf s LYS 115 Ca 0.59 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.26 2btf s LYS 115 Cb -0.11 -1.98 -0.12 0.00 -1.51 0.00 0.00 37.83 34.11 2btf s LYS 115 CO 0.48 -1.32 1.51 -1.91 -0.36 0.00 0.00 175.35 173.75 2btf n GLU 116 N -3.18 2.41 -0.22 4.03 2.13 -1.26 -2.65 120.64 121.90 2btf n GLU 116 Ca 0.07 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.75 2btf n GLU 116 Cb 0.58 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.71 2btf n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2btf n GLY 117 N 2.15 1.20 3.81 8.31 0.00 -1.26 -5.05 105.19 114.34 2btf n GLY 117 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2btf n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2btf s VAL 118 N -2.73 4.56 -0.01 1.61 1.01 -1.08 -5.03 120.40 118.72 2btf s VAL 118 Ca 0.00 1.36 -0.18 0.00 0.00 0.00 0.00 61.98 63.16 2btf s VAL 118 Cb 0.00 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 2btf s VAL 118 CO 0.00 0.34 0.49 -2.28 0.00 0.00 0.00 175.10 173.65 2btf s HIS 119 N -1.37 3.70 0.28 5.22 2.46 -1.26 -4.68 115.29 119.64 2btf s HIS 119 Ca 0.39 1.08 0.19 0.00 0.47 0.00 0.00 55.06 57.19 2btf s HIS 119 Cb -0.19 -2.45 0.98 0.00 -0.13 0.00 0.00 32.58 30.80 2btf s HIS 119 CO 0.22 0.49 1.06 0.41 -2.47 0.00 0.00 174.74 174.45 2btf n GLY 120 N 2.19 -0.55 0.22 1.59 0.00 -1.26 -1.15 105.19 106.23 2btf n GLY 120 Ca -0.11 0.53 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 2btf n GLY 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2btf h GLY 121 N 0.00 0.40 1.16 -0.02 0.00 -1.98 -0.76 103.07 101.87 2btf h GLY 121 Ca 0.59 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 2btf h GLY 121 CO -0.38 0.33 -0.10 1.98 0.00 0.00 0.00 176.54 178.36 2btf h MET 122 N 0.32 0.99 -0.17 4.80 -1.53 -1.54 -0.13 114.93 117.66 2btf h MET 122 Ca 0.04 -0.35 -0.11 0.00 -3.44 0.00 0.00 59.70 55.83 2btf h MET 122 Cb 0.78 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.76 2btf h MET 122 CO 0.06 1.03 -0.32 0.82 0.14 0.00 0.00 176.91 178.65 2btf h ILE 123 N 0.88 1.35 0.15 1.77 1.08 -1.58 -0.73 117.51 120.42 2btf h ILE 123 Ca 0.14 -1.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.05 2btf h ILE 123 Cb 0.66 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.32 2btf h ILE 123 CO 0.05 0.47 -0.07 -1.13 -0.69 0.00 0.00 178.15 176.78 2btf h ASN 124 N 0.16 -0.17 0.19 1.72 -0.73 -0.97 0.97 115.58 116.76 2btf h ASN 124 Ca 0.01 -0.18 0.01 0.00 1.87 0.00 0.00 56.30 58.02 2btf h ASN 124 Cb 0.91 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.51 2btf h ASN 124 CO 0.07 0.08 -0.33 0.50 -0.37 0.00 0.00 177.43 177.38 2btf h LYS 125 N -0.42 -0.58 -0.05 6.67 3.11 -1.07 -0.63 116.57 123.60 2btf h LYS 125 Ca -0.02 0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 2btf h LYS 125 Cb 0.33 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.68 2btf h LYS 125 CO 0.03 -0.39 -0.04 -0.22 -2.81 0.00 0.00 179.45 176.03 2btf h LYS 126 N -0.60 -0.04 -0.38 1.90 3.64 -0.92 0.90 116.57 121.06 2btf h LYS 126 Ca 0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2btf h LYS 126 Cb 0.60 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2btf h LYS 126 CO -0.15 -0.03 0.08 0.00 -2.27 0.00 0.00 179.45 177.08 2btf h TYR 128 N 0.56 0.42 -0.28 0.00 3.20 -0.50 -2.61 116.97 117.76 2btf h TYR 128 Ca 0.13 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2btf h TYR 128 Cb 0.24 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2btf h TYR 128 CO 0.01 0.77 0.18 0.93 -1.64 0.00 0.00 178.16 178.41 2btf h GLU 129 N -0.05 0.36 -0.33 1.82 4.39 -0.48 -2.23 114.58 118.06 2btf h GLU 129 Ca 0.02 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.76 2btf h GLU 129 Cb 0.71 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 2btf h GLU 129 CO 0.04 0.24 -0.12 1.98 -1.16 0.00 0.00 179.01 179.99 2btf h MET 130 N 0.37 -0.06 0.00 2.33 4.05 -1.38 -0.14 114.93 120.11 2btf h MET 130 Ca 0.10 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2btf h MET 130 Cb -0.04 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2btf h MET 130 CO -0.03 -0.04 -0.01 0.00 0.23 0.00 0.00 176.91 177.07 2btf h ALA 131 N 1.24 1.40 -0.63 0.39 0.00 -1.34 -1.68 119.26 118.63 2btf h ALA 131 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2btf h ALA 131 Cb 0.31 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2btf h ALA 131 CO -0.37 0.01 0.23 0.77 0.00 0.00 0.00 179.25 179.88 2btf h SER 132 N 0.00 0.90 0.14 0.00 0.02 -0.38 0.10 113.55 114.33 2btf h SER 132 Ca -0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2btf h SER 132 Cb 0.02 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2btf h SER 132 CO 0.00 0.84 0.00 1.57 -1.14 0.00 0.00 176.83 178.10 2btf n HIS 133 N -4.40 0.00 -0.13 3.45 -0.00 -0.64 0.09 115.22 113.59 2btf n HIS 133 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 2btf n HIS 133 Cb 0.19 -0.14 -0.10 0.00 -0.00 0.00 0.00 29.99 29.94 2btf n HIS 133 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2btf n LEU 134 N -1.14 1.95 -0.24 0.27 4.32 -0.07 -4.56 117.00 117.52 2btf n LEU 134 Ca 0.09 0.35 0.02 0.00 -0.02 0.00 0.00 56.01 56.45 2btf n LEU 134 Cb 0.08 -0.83 0.25 0.00 -1.62 0.00 0.00 43.42 41.30 2btf n LEU 134 CO 0.10 0.49 1.24 0.08 -1.22 0.00 0.00 177.39 178.08 2btf h ARG 135 N -1.00 0.98 -3.53 3.23 0.11 0.41 -0.93 114.38 113.65 2btf h ARG 135 Ca -0.62 -0.06 -0.76 0.00 0.10 0.00 0.00 59.98 58.64 2btf h ARG 135 Cb 1.54 -0.22 -0.15 0.00 1.11 0.00 0.00 29.97 32.25 2btf h ARG 135 CO -0.38 0.65 2.04 2.89 0.10 0.00 0.00 179.97 185.27 2btf n ARG 136 N -4.44 3.60 0.00 0.08 1.85 0.11 -3.15 116.66 114.71 2btf n ARG 136 Ca 0.10 -3.51 0.00 0.00 -1.00 0.00 0.00 57.85 53.44 2btf n ARG 136 Cb 0.10 -2.94 0.00 0.00 -1.05 0.00 0.00 32.46 28.57 2btf n ARG 136 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2btf n SER 137 N 3.95 0.00 -3.54 2.89 2.88 -0.36 -4.77 113.62 114.66 2btf n SER 137 Ca 0.40 -0.12 -0.26 0.00 -1.33 0.00 0.00 58.87 57.56 2btf n SER 137 Cb 0.36 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.88 2btf n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2btf n GLN 138 N 0.00 -1.52 0.00 -1.46 3.00 -1.19 -5.08 117.38 111.13 2btf n GLN 138 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 2btf n GLN 138 Cb 0.03 -4.65 0.00 0.00 0.00 0.00 0.00 30.24 25.63 2btf n GLN 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72