#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfs n GLU 11 N 0.00 1.55 -3.50 0.00 -0.00 -1.26 -4.88 120.64 112.54 2dfs n GLU 11 Ca 0.00 0.57 -0.16 0.00 -0.00 0.00 0.00 57.16 57.57 2dfs n GLU 11 Cb 0.00 -2.39 -0.12 0.00 -0.00 0.00 0.00 31.44 28.93 2dfs n GLU 11 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2dfs s PHE 12 N -1.31 -0.38 0.28 -1.84 0.08 -1.26 -5.03 117.98 108.52 2dfs s PHE 12 Ca 0.69 0.45 -0.04 0.00 0.12 0.00 0.00 56.93 58.15 2dfs s PHE 12 Cb -0.45 -0.25 0.37 0.00 -0.57 0.00 0.00 43.02 42.12 2dfs s PHE 12 CO 0.52 -0.57 1.94 -0.22 -0.10 0.00 0.00 175.22 176.78 2dfs h LYS 13 N 8.29 1.16 -0.90 0.44 3.64 -1.99 -2.22 116.57 124.99 2dfs h LYS 13 Ca -0.17 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2dfs h LYS 13 Cb 1.15 -0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.65 2dfs h LYS 13 CO 0.25 0.79 0.57 0.93 -2.27 0.00 0.00 179.45 179.72 2dfs h GLU 14 N 1.19 1.02 -0.43 1.90 5.08 -1.97 -0.65 114.58 120.72 2dfs h GLU 14 Ca 0.32 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2dfs h GLU 14 Cb -0.11 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 2dfs h GLU 14 CO -0.07 0.68 -0.21 0.00 -1.00 0.00 0.00 179.01 178.41 2dfs h ALA 15 N 1.41 0.83 -0.77 3.43 0.00 -1.88 -2.65 119.26 119.62 2dfs h ALA 15 Ca 0.38 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2dfs h ALA 15 Cb 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2dfs h ALA 15 CO -0.16 0.65 0.49 0.35 0.00 0.00 0.00 179.25 180.57 2dfs h PHE 16 N 0.74 0.92 0.00 0.00 3.04 -0.95 -2.18 116.94 118.51 2dfs h PHE 16 Ca 0.10 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2dfs h PHE 16 Cb 0.74 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.95 2dfs h PHE 16 CO 0.04 0.52 0.00 0.45 -2.02 0.00 0.00 178.31 177.31 2dfs n SER 17 N -4.61 0.00 -0.81 0.41 2.88 -0.29 0.49 113.62 111.69 2dfs n SER 17 Ca 0.09 0.37 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 2dfs n SER 17 Cb 0.09 -0.44 0.25 0.00 -0.75 0.00 0.00 64.21 63.36 2dfs n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2dfs n LEU 18 N -1.44 2.51 0.00 2.46 4.77 -0.83 -4.35 117.00 120.12 2dfs n LEU 18 Ca 0.05 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2dfs n LEU 18 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2dfs n LEU 18 CO 0.14 0.43 -0.27 0.49 -1.33 0.00 0.00 177.39 176.85 2dfs n PHE 19 N 0.95 0.00 -2.09 -1.77 3.01 -0.39 -4.78 117.46 112.40 2dfs n PHE 19 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.20 2dfs n PHE 19 Cb 0.51 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.96 2dfs n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2dfs s ASP 20 N -1.99 5.91 -0.23 4.37 2.15 0.18 -4.81 116.67 122.25 2dfs s ASP 20 Ca 0.00 1.05 -0.16 0.00 0.43 0.00 0.00 52.55 53.87 2dfs s ASP 20 Cb 0.00 -2.53 -0.11 0.00 -0.30 0.00 0.00 42.92 39.98 2dfs s ASP 20 CO 0.00 -1.74 -0.25 0.29 -0.17 0.00 0.00 175.17 173.31 2dfs n LYS 21 N 8.46 0.56 0.16 4.34 5.02 -1.26 -4.55 118.16 130.88 2dfs n LYS 21 Ca 0.21 0.33 0.18 0.00 -2.02 0.00 0.00 58.31 57.00 2dfs n LYS 21 Cb 0.48 -1.54 0.79 0.00 -0.02 0.00 0.00 35.03 34.74 2dfs n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dfs h ASP 22 N -1.00 0.00 -0.01 4.39 5.19 -1.91 -3.45 116.42 119.62 2dfs h ASP 22 Ca -0.40 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 2dfs h ASP 22 Cb 1.30 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.81 2dfs h ASP 22 CO -0.24 0.00 -0.01 0.61 -3.12 0.00 0.00 179.24 176.48 2dfs n GLY 23 N -1.45 0.47 0.33 2.75 0.00 -1.26 -4.88 105.19 101.14 2dfs n GLY 23 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 2dfs n GLY 23 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dfs h ASP 24 N 0.00 0.99 0.00 1.61 3.58 -1.95 -3.47 116.42 117.17 2dfs h ASP 24 Ca -0.01 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2dfs h ASP 24 Cb 0.06 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2dfs h ASP 24 CO 0.01 0.74 0.00 0.61 -2.88 0.00 0.00 179.24 177.72 2dfs n GLY 25 N -1.27 1.51 3.36 -0.78 0.00 -1.26 -5.10 105.19 101.65 2dfs n GLY 25 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2dfs n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfs s THR 26 N -2.16 2.07 0.20 2.61 -4.23 -1.26 -4.14 115.64 108.73 2dfs s THR 26 Ca 0.00 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 58.82 2dfs s THR 26 Cb 0.00 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 2dfs s THR 26 CO 0.00 -0.06 -0.16 0.27 -0.54 0.00 0.00 174.62 174.13 2dfs s ILE 27 N -1.39 2.79 0.40 2.99 -4.36 -0.19 -4.71 121.20 116.72 2dfs s ILE 27 Ca 0.14 -1.92 -0.27 0.00 -0.26 0.00 0.00 60.65 58.34 2dfs s ILE 27 Cb -0.09 -2.39 -0.10 0.00 1.25 0.00 0.00 42.46 41.13 2dfs s ILE 27 CO 0.07 -0.17 1.46 0.42 0.24 0.00 0.00 174.94 176.95 2dfs s THR 28 N -1.84 2.10 0.51 8.37 -4.23 -1.26 -0.58 115.64 118.71 2dfs s THR 28 Ca 0.24 0.10 0.19 0.00 -1.18 0.00 0.00 61.69 61.04 2dfs s THR 28 Cb -0.08 -3.06 0.32 0.00 1.34 0.00 0.00 72.50 71.02 2dfs s THR 28 CO 0.13 0.02 2.08 0.71 -0.54 0.00 0.00 174.62 177.02 2dfs h THR 29 N 2.77 0.90 0.00 3.99 1.35 -1.71 0.02 112.91 120.23 2dfs h THR 29 Ca -0.51 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2dfs h THR 29 Cb 1.25 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2dfs h THR 29 CO 0.63 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 176.20 2dfs n LYS 30 N -4.47 0.03 -0.16 4.72 4.76 -1.26 -2.35 118.16 119.42 2dfs n LYS 30 Ca 0.03 0.16 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 2dfs n LYS 30 Cb 0.30 -1.54 0.28 0.00 -1.84 0.00 0.00 35.03 32.23 2dfs n LYS 30 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2dfs n GLU 31 N -1.59 2.12 -0.36 1.97 1.02 -0.01 -4.40 120.64 119.39 2dfs n GLU 31 Ca 0.05 -1.70 -0.02 0.00 -0.02 0.00 0.00 57.16 55.47 2dfs n GLU 31 Cb 0.26 -1.44 0.11 0.00 -0.02 0.00 0.00 31.44 30.35 2dfs n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2dfs h LEU 32 N 3.24 1.09 -0.80 -4.62 5.85 -1.54 -1.41 115.31 117.12 2dfs h LEU 32 Ca 0.00 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 2dfs h LEU 32 Cb 0.72 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2dfs h LEU 32 CO 0.00 0.78 -0.43 1.23 -0.34 0.00 0.00 178.44 179.67 2dfs h GLY 33 N 1.28 0.40 1.63 3.75 0.00 -1.83 -2.24 103.07 106.07 2dfs h GLY 33 Ca 0.37 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 2dfs h GLY 33 CO -0.09 0.36 -0.80 -0.91 0.00 0.00 0.00 176.54 175.10 2dfs h THR 34 N 0.30 1.41 -0.57 4.70 1.35 -1.81 -2.83 112.91 115.46 2dfs h THR 34 Ca 0.02 -2.29 -0.05 0.00 -0.55 0.00 0.00 66.41 63.54 2dfs h THR 34 Cb 0.89 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 2dfs h THR 34 CO 0.07 0.68 0.15 1.62 -0.25 0.00 0.00 175.52 177.79 2dfs h VAL 35 N 0.23 1.25 -0.94 6.82 3.04 -1.09 -0.78 116.25 124.77 2dfs h VAL 35 Ca -0.04 -0.87 0.05 0.00 -1.01 0.00 0.00 66.70 64.82 2dfs h VAL 35 Cb 1.39 0.73 -0.06 0.00 -2.01 0.00 0.00 31.29 31.34 2dfs h VAL 35 CO 0.13 0.32 0.61 0.24 -1.01 0.00 0.00 177.57 177.86 2dfs h MET 36 N 0.81 1.12 -0.21 4.17 2.86 -1.48 -1.18 114.93 121.02 2dfs h MET 36 Ca 0.18 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2dfs h MET 36 Cb 0.33 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2dfs h MET 36 CO 0.00 0.74 0.00 0.54 1.06 0.00 0.00 176.91 179.25 2dfs n ARG 37 N -4.51 1.62 -0.03 1.72 1.74 -1.07 -2.01 116.66 114.12 2dfs n ARG 37 Ca 0.13 -0.95 0.02 0.00 -0.77 0.00 0.00 57.85 56.28 2dfs n ARG 37 Cb 0.12 -1.30 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 2dfs n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dfs n SER 38 N 0.22 1.67 -0.02 0.55 2.88 -0.32 -4.53 113.62 114.07 2dfs n SER 38 Ca 0.13 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 2dfs n SER 38 Cb 0.26 1.35 -0.10 0.00 -0.75 0.00 0.00 64.21 64.97 2dfs n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2dfs h LEU 39 N 0.00 -0.01 0.00 2.46 5.85 -1.11 -3.49 115.31 119.02 2dfs h LEU 39 Ca -0.14 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.03 2dfs h LEU 39 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2dfs h LEU 39 CO 0.01 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 179.27 2dfs n GLY 40 N 0.42 -2.28 0.00 3.75 0.00 -0.85 -5.06 105.19 101.17 2dfs n GLY 40 Ca -0.09 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2dfs n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dfs n GLN 41 N 0.00 0.00 -1.30 1.61 6.02 -1.15 -4.51 117.38 118.05 2dfs n GLN 41 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2dfs n GLN 41 Cb 0.00 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.38 2dfs n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2dfs n ASN 42 N 0.00 6.04 -4.56 1.08 3.02 -0.72 -3.48 115.26 116.64 2dfs n ASN 42 Ca 0.00 -3.72 -0.34 0.00 -0.03 0.00 0.00 54.58 50.49 2dfs n ASN 42 Cb 0.00 -0.90 0.12 0.00 -0.61 0.00 0.00 39.78 38.38 2dfs n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2dfs n PRO 43 N -1.00 0.03 -0.99 3.52 -0.04 -1.26 -4.99 135.00 130.26 2dfs n PRO 43 Ca 0.61 0.07 -0.29 0.00 -0.04 0.00 0.00 63.50 63.85 2dfs n PRO 43 Cb 1.05 -2.12 0.18 0.00 -0.04 0.00 0.00 33.50 32.57 2dfs n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dfs s THR 44 N -2.19 2.23 0.18 0.52 -4.23 -1.26 -4.92 115.64 105.97 2dfs s THR 44 Ca 0.66 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 61.22 2dfs s THR 44 Cb -0.28 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.05 2dfs s THR 44 CO 0.58 -0.10 1.46 -0.33 -0.54 0.00 0.00 174.62 175.69 2dfs h GLU 45 N -1.99 0.48 -0.02 3.99 4.39 -1.98 -2.87 114.58 116.59 2dfs h GLU 45 Ca -0.54 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 58.83 2dfs h GLU 45 Cb 1.31 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.99 2dfs h GLU 45 CO 0.54 0.97 -0.18 0.00 -1.16 0.00 0.00 179.01 179.18 2dfs h ALA 46 N 0.94 -0.21 -0.85 3.43 0.00 -1.99 -1.17 119.26 119.41 2dfs h ALA 46 Ca -0.02 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2dfs h ALA 46 Cb 1.22 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 2dfs h ALA 46 CO 0.12 -0.67 0.53 0.93 0.00 0.00 0.00 179.25 180.16 2dfs h GLU 47 N -0.29 0.97 -0.72 0.00 5.08 -1.94 0.10 114.58 117.78 2dfs h GLU 47 Ca 0.06 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2dfs h GLU 47 Cb 0.37 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2dfs h GLU 47 CO -0.19 0.64 0.47 1.25 -1.00 0.00 0.00 179.01 180.19 2dfs h LEU 48 N 0.99 0.82 -0.40 1.33 5.85 -1.37 -0.11 115.31 122.43 2dfs h LEU 48 Ca 0.36 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 2dfs h LEU 48 Cb 0.11 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2dfs h LEU 48 CO -0.15 0.59 -0.13 1.56 -0.34 0.00 0.00 178.44 179.97 2dfs h GLN 49 N 0.97 0.79 -0.49 1.25 1.08 -0.10 -2.46 115.11 116.15 2dfs h GLN 49 Ca 0.26 -0.32 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2dfs h GLN 49 Cb -0.10 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.25 2dfs h GLN 49 CO -0.06 0.94 0.27 -0.44 -0.95 0.00 0.00 178.83 178.59 2dfs h ASP 50 N 0.60 0.41 -0.63 1.46 3.32 -0.65 0.15 116.42 121.08 2dfs h ASP 50 Ca 0.10 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.20 2dfs h ASP 50 Cb 0.67 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 2dfs h ASP 50 CO 0.05 0.29 0.37 0.24 -1.72 0.00 0.00 179.24 178.47 2dfs h MET 51 N 0.53 0.70 -0.51 3.56 2.86 -0.99 -0.53 114.93 120.55 2dfs h MET 51 Ca 0.20 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 2dfs h MET 51 Cb 0.07 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2dfs h MET 51 CO -0.12 0.47 0.05 0.82 1.06 0.00 0.00 176.91 179.18 2dfs h ILE 52 N 0.73 1.26 0.00 -1.22 2.04 -1.18 -3.28 117.51 115.86 2dfs h ILE 52 Ca 0.26 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2dfs h ILE 52 Cb 0.07 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2dfs h ILE 52 CO -0.13 0.36 0.00 -1.13 0.00 0.00 0.00 178.15 177.25 2dfs h ASN 53 N 0.75 0.00 -0.19 1.72 -0.00 0.09 -2.63 115.58 115.31 2dfs h ASN 53 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 2dfs h ASN 53 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.78 2dfs h ASN 53 CO 0.02 0.00 0.00 -1.84 -0.00 0.00 0.00 177.43 175.61 2dfs n GLU 54 N -2.98 1.69 -4.72 6.67 0.28 -0.28 -4.71 120.64 116.58 2dfs n GLU 54 Ca 0.02 -1.04 -0.30 0.00 -0.16 0.00 0.00 57.16 55.68 2dfs n GLU 54 Cb 0.37 -1.36 -0.14 0.00 1.43 0.00 0.00 31.44 31.75 2dfs n GLU 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2dfs s VAL 55 N -1.75 2.45 0.00 3.84 0.11 -0.99 -5.02 120.40 119.04 2dfs s VAL 55 Ca 0.30 -1.35 -0.04 0.00 -2.93 0.00 0.00 61.98 57.96 2dfs s VAL 55 Cb 0.16 -2.01 -0.16 0.00 -1.53 0.00 0.00 36.38 32.83 2dfs s VAL 55 CO 0.23 0.31 2.51 -0.90 -3.33 0.00 0.00 175.10 173.93 2dfs n ASP 56 N 1.54 3.68 -1.17 3.54 5.75 -1.26 -4.09 116.55 124.53 2dfs n ASP 56 Ca -0.17 -2.16 0.01 0.00 -0.01 0.00 0.00 54.79 52.47 2dfs n ASP 56 Cb 0.52 -0.97 0.17 0.00 -1.03 0.00 0.00 41.12 39.81 2dfs n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dfs n ALA 57 N 2.51 3.22 -0.25 2.12 0.00 -1.26 -4.54 120.51 122.31 2dfs n ALA 57 Ca 0.26 -0.90 -0.07 0.00 0.00 0.00 0.00 53.44 52.73 2dfs n ALA 57 Cb 0.60 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 2dfs n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2dfs h ASP 58 N 1.61 -1.46 -0.22 0.00 3.58 -1.87 -1.15 116.42 116.91 2dfs h ASP 58 Ca 0.04 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2dfs h ASP 58 Cb 1.24 0.69 0.00 0.00 1.72 0.00 0.00 39.33 42.98 2dfs h ASP 58 CO 0.25 -0.31 0.00 0.61 -2.88 0.00 0.00 179.24 176.91 2dfs n GLY 59 N -1.41 1.03 3.67 -0.78 0.00 -1.26 -4.95 105.19 101.47 2dfs n GLY 59 Ca 0.04 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2dfs n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dfs s ASN 60 N -1.66 7.01 0.16 1.61 -0.87 -0.44 -4.92 114.94 115.84 2dfs s ASN 60 Ca 0.35 1.65 0.12 0.00 -1.57 0.00 0.00 52.86 53.41 2dfs s ASN 60 Cb 0.21 -2.54 -0.09 0.00 -0.02 0.00 0.00 41.25 38.80 2dfs s ASN 60 CO 0.30 -0.69 1.23 1.23 -2.57 0.00 0.00 177.10 176.60 2dfs h GLY 61 N 9.28 0.00 -2.75 0.66 0.00 -1.93 -3.45 103.07 104.89 2dfs h GLY 61 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.81 2dfs h GLY 61 CO 0.95 0.00 -0.65 -0.51 0.00 0.00 0.00 176.54 176.32 2dfs s THR 62 N -2.83 0.45 -0.03 4.70 -4.23 -1.26 -2.05 115.64 110.39 2dfs s THR 62 Ca 0.01 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 2dfs s THR 62 Cb 0.09 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 2dfs s THR 62 CO 0.79 -0.44 -0.14 0.27 -0.54 0.00 0.00 174.62 174.55 2dfs s ILE 63 N -3.81 1.20 0.62 2.99 -4.36 0.25 -4.75 121.20 113.34 2dfs s ILE 63 Ca 0.25 -0.61 -0.05 0.00 -0.26 0.00 0.00 60.65 59.98 2dfs s ILE 63 Cb 0.07 -1.03 0.03 0.00 1.25 0.00 0.00 42.46 42.78 2dfs s ILE 63 CO 0.04 0.35 0.92 -0.62 0.24 0.00 0.00 174.94 175.87 2dfs s ASP 64 N -0.03 5.26 0.09 4.36 2.15 -1.26 -1.03 116.67 126.21 2dfs s ASP 64 Ca -0.01 0.51 -0.22 0.00 0.43 0.00 0.00 52.55 53.26 2dfs s ASP 64 Cb -0.09 -1.37 -0.12 0.00 -0.30 0.00 0.00 42.92 41.04 2dfs s ASP 64 CO 0.01 -1.27 1.71 0.15 -0.17 0.00 0.00 175.17 175.60 2dfs h PHE 65 N -0.29 0.10 -0.93 -5.34 3.57 -2.00 -2.30 116.94 109.76 2dfs h PHE 65 Ca -0.45 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.31 2dfs h PHE 65 Cb 1.28 -0.03 -0.16 0.00 2.79 0.00 0.00 35.95 39.83 2dfs h PHE 65 CO 0.41 0.12 0.13 -1.35 -2.23 0.00 0.00 178.31 175.38 2dfs h PRO 66 N 0.06 0.08 -0.11 6.41 0.11 -1.96 0.50 132.00 137.09 2dfs h PRO 66 Ca 0.03 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2dfs h PRO 66 Cb 0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 2dfs h PRO 66 CO -0.01 0.05 0.03 1.49 -0.21 0.00 0.00 178.00 179.36 2dfs h GLU 67 N 0.08 0.18 -0.96 1.05 4.22 -1.85 -2.11 114.58 115.19 2dfs h GLU 67 Ca 0.58 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 60.01 2dfs h GLU 67 Cb 1.21 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 2dfs h GLU 67 CO -0.80 0.34 0.63 0.35 -2.18 0.00 0.00 179.01 177.36 2dfs h PHE 68 N -0.01 1.18 -0.50 0.92 3.57 -1.05 -1.35 116.94 119.70 2dfs h PHE 68 Ca 0.04 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 2dfs h PHE 68 Cb 0.24 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2dfs h PHE 68 CO 0.00 0.69 0.30 -0.07 -2.23 0.00 0.00 178.31 177.01 2dfs h LEU 69 N 1.23 0.50 -0.62 0.59 3.38 -0.82 -1.76 115.31 117.81 2dfs h LEU 69 Ca 0.38 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 2dfs h LEU 69 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2dfs h LEU 69 CO -0.11 0.35 0.19 0.71 0.09 0.00 0.00 178.44 179.67 2dfs h THR 70 N 0.61 1.25 -0.44 0.22 1.35 -0.57 -1.81 112.91 113.51 2dfs h THR 70 Ca 0.20 -0.85 -0.02 0.00 -0.55 0.00 0.00 66.41 65.19 2dfs h THR 70 Cb 0.00 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 2dfs h THR 70 CO -0.08 0.32 0.21 0.24 -0.25 0.00 0.00 175.52 175.96 2dfs h MET 71 N 0.89 0.64 -0.56 4.72 2.86 -1.25 -1.33 114.93 120.90 2dfs h MET 71 Ca 0.20 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 2dfs h MET 71 Cb 0.30 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2dfs h MET 71 CO -0.01 0.55 0.08 0.00 1.06 0.00 0.00 176.91 178.59 2dfs h MET 72 N 0.57 0.90 -0.57 1.72 -0.00 -1.22 -1.85 114.93 114.47 2dfs h MET 72 Ca 0.15 -0.22 -0.08 0.00 -0.00 0.00 0.00 59.70 59.55 2dfs h MET 72 Cb 0.12 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 2dfs h MET 72 CO -0.02 0.84 0.03 0.00 -0.00 0.00 0.00 176.91 177.76 2dfs h ALA 73 N 1.24 0.77 -0.87 -3.00 0.00 -1.21 -0.15 119.26 116.04 2dfs h ALA 73 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2dfs h ALA 73 Cb 0.39 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2dfs h ALA 73 CO 0.01 0.58 0.52 -0.09 0.00 0.00 0.00 179.25 180.26 2dfs h ARG 74 N 0.88 1.18 -0.28 0.00 2.43 -1.11 -3.25 114.38 114.23 2dfs h ARG 74 Ca 0.17 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2dfs h ARG 74 Cb 0.51 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2dfs h ARG 74 CO 0.02 0.83 0.00 1.63 -1.51 0.00 0.00 179.97 180.94 2dfs n LYS 75 N -4.36 2.95 -0.34 0.20 4.76 -0.71 -4.76 118.16 115.90 2dfs n LYS 75 Ca 0.09 -2.72 0.07 0.00 -2.87 0.00 0.00 58.31 52.88 2dfs n LYS 75 Cb 0.07 -1.76 0.23 0.00 -1.84 0.00 0.00 35.03 31.73 2dfs n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dfs h MET 76 N 1.87 0.83 -0.50 1.97 -0.00 -1.05 -2.13 114.93 115.92 2dfs h MET 76 Ca 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.70 59.62 2dfs h MET 76 Cb 1.34 -0.19 -0.02 0.00 -0.00 0.00 0.00 31.60 32.73 2dfs h MET 76 CO 0.19 0.55 0.19 -0.22 -0.00 0.00 0.00 176.91 177.62 2dfs h LYS 77 N 0.86 0.75 -0.24 -0.10 3.64 -1.86 0.33 116.57 119.94 2dfs h LYS 77 Ca 0.48 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.59 2dfs h LYS 77 Cb 0.55 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2dfs h LYS 77 CO -0.30 0.67 -0.38 -0.44 -2.27 0.00 0.00 179.45 176.73 2dfs h ASP 78 N 0.66 0.76 -0.57 4.20 3.32 -1.82 -2.81 116.42 120.16 2dfs h ASP 78 Ca 0.16 -0.52 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 2dfs h ASP 78 Cb 0.21 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2dfs h ASP 78 CO -0.01 1.13 0.04 0.71 -1.72 0.00 0.00 179.24 179.38 2dfs h THR 79 N 0.41 1.26 -0.34 0.35 1.35 -1.30 -2.81 112.91 111.83 2dfs h THR 79 Ca 0.02 -1.07 -0.02 0.00 -0.55 0.00 0.00 66.41 64.79 2dfs h THR 79 Cb 0.97 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 2dfs h THR 79 CO 0.09 0.39 0.13 0.44 -0.25 0.00 0.00 175.52 176.32 2dfs h ASP 80 N 0.88 0.43 0.38 5.36 3.32 -0.99 -2.03 116.42 123.76 2dfs h ASP 80 Ca 0.17 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2dfs h ASP 80 Cb 0.50 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2dfs h ASP 80 CO 0.02 0.39 0.00 -1.28 -1.72 0.00 0.00 179.24 176.65 2dfs h SER 81 N 0.48 0.00 -0.80 6.45 0.87 -1.22 0.08 113.55 119.40 2dfs h SER 81 Ca 0.12 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.25 2dfs h SER 81 Cb 0.10 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 61.82 2dfs h SER 81 CO -0.01 0.00 0.55 -0.62 -0.53 0.00 0.00 176.83 176.22 2dfs n GLU 82 N -2.93 2.05 -0.88 2.24 -0.58 -0.76 -3.49 120.64 116.28 2dfs n GLU 82 Ca -0.01 -2.44 0.01 0.00 -0.42 0.00 0.00 57.16 54.30 2dfs n GLU 82 Cb 0.15 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 2dfs n GLU 82 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2dfs n GLU 83 N -0.76 0.00 -0.03 3.49 0.28 0.01 -1.75 120.64 121.87 2dfs n GLU 83 Ca 0.48 -1.22 -0.15 0.00 -0.16 0.00 0.00 57.16 56.11 2dfs n GLU 83 Cb 1.33 -0.18 -0.10 0.00 1.43 0.00 0.00 31.44 33.91 2dfs n GLU 83 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2dfs h GLU 84 N 0.34 0.28 -6.92 3.44 4.22 -1.58 -3.48 114.58 110.89 2dfs h GLU 84 Ca -0.13 -0.23 -0.54 0.00 0.08 0.00 0.00 59.36 58.54 2dfs h GLU 84 Cb 1.52 0.05 0.11 0.00 0.50 0.00 0.00 28.75 30.93 2dfs h GLU 84 CO 0.01 0.88 0.75 0.44 -2.18 0.00 0.00 179.01 178.92 2dfs n ILE 85 N -4.47 1.97 0.00 2.32 -5.35 -1.26 -4.92 119.36 107.64 2dfs n ILE 85 Ca -0.09 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2dfs n ILE 85 Cb 0.48 -1.94 0.00 0.00 -1.74 0.00 0.00 39.64 36.44 2dfs n ILE 85 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2dfs n ARG 86 N 0.50 3.27 -4.45 6.28 1.85 -1.26 -5.09 116.66 117.76 2dfs n ARG 86 Ca 0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.65 2dfs n ARG 86 Cb 0.39 -0.49 -0.11 0.00 -1.05 0.00 0.00 32.46 31.20 2dfs n ARG 86 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2dfs s GLU 87 N -0.62 1.65 -0.29 2.89 1.03 -1.26 -5.12 118.70 116.98 2dfs s GLU 87 Ca 0.00 -1.92 0.04 0.00 0.03 0.00 0.00 54.97 53.13 2dfs s GLU 87 Cb 0.00 -0.86 0.20 0.00 -0.80 0.00 0.00 34.13 32.67 2dfs s GLU 87 CO 0.00 -0.19 0.61 0.00 -1.33 0.00 0.00 175.26 174.35 2dfs s ALA 88 N -3.30 -2.43 0.67 -0.84 0.00 -1.26 -5.16 121.76 109.44 2dfs s ALA 88 Ca 0.37 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.41 2dfs s ALA 88 Cb 0.09 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 20.72 2dfs s ALA 88 CO 0.16 -1.76 1.05 -0.59 0.00 0.00 0.00 175.76 174.62 2dfs s PHE 89 N 2.84 3.34 0.00 0.00 -0.71 -1.26 -5.06 117.98 117.13 2dfs s PHE 89 Ca 0.12 0.99 0.00 0.00 -1.04 0.00 0.00 56.93 57.00 2dfs s PHE 89 Cb -0.11 -2.97 0.00 0.00 -1.21 0.00 0.00 43.02 38.74 2dfs s PHE 89 CO -0.25 -1.06 0.00 0.54 -1.34 0.00 0.00 175.22 173.11 2dfs n ARG 90 N -2.89 1.92 0.00 1.99 5.12 -1.26 -4.99 116.66 116.54 2dfs n ARG 90 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2dfs n ARG 90 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 2dfs n ARG 90 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2dfs n VAL 91 N 0.00 0.00 0.00 1.55 3.14 -1.26 -5.06 118.33 116.70 2dfs n VAL 91 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2dfs n VAL 91 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2dfs n VAL 91 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2dfs n PHE 92 N 0.00 0.00 -0.20 1.45 3.72 -1.26 -4.91 117.46 116.26 2dfs n PHE 92 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2dfs n PHE 92 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2dfs n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2dfs n ASP 93 N 0.00 0.00 -0.00 4.37 2.03 -1.26 -4.88 116.55 116.81 2dfs n ASP 93 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2dfs n ASP 93 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2dfs n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dfs n LYS 94 N 0.58 1.00 -0.20 -0.67 4.76 -1.26 -4.34 118.16 118.03 2dfs n LYS 94 Ca 0.00 -0.05 -0.05 0.00 -2.87 0.00 0.00 58.31 55.34 2dfs n LYS 94 Cb 0.00 -1.09 0.12 0.00 -1.84 0.00 0.00 35.03 32.22 2dfs n LYS 94 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2dfs h ASP 95 N 0.00 0.93 -0.31 4.39 3.32 -1.99 -3.47 116.42 119.28 2dfs h ASP 95 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2dfs h ASP 95 Cb 0.26 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2dfs h ASP 95 CO 0.00 0.91 0.00 0.61 -1.72 0.00 0.00 179.24 179.04 2dfs n GLY 96 N -0.75 0.81 0.18 2.75 0.00 -1.26 -4.96 105.19 101.95 2dfs n GLY 96 Ca 0.05 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.46 2dfs n GLY 96 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dfs h ASN 97 N 0.00 0.00 0.00 1.61 2.35 -1.92 -3.46 115.58 114.16 2dfs h ASN 97 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2dfs h ASN 97 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2dfs h ASN 97 CO 0.00 0.41 0.00 0.61 -1.65 0.00 0.00 177.43 176.80 2dfs n GLY 98 N -0.10 0.74 3.39 2.83 0.00 -1.26 -5.03 105.19 105.75 2dfs n GLY 98 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2dfs n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfs s TYR 99 N -2.65 2.26 0.01 1.61 2.02 -1.26 -3.13 117.35 116.21 2dfs s TYR 99 Ca 0.00 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2dfs s TYR 99 Cb 0.00 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 2dfs s TYR 99 CO 0.00 0.38 0.00 0.96 -1.57 0.00 0.00 175.55 175.32 2dfs s ILE 100 N -1.28 0.06 0.54 2.71 -4.36 -0.90 -4.67 121.20 113.29 2dfs s ILE 100 Ca 0.16 -0.46 -0.21 0.00 -0.26 0.00 0.00 60.65 59.87 2dfs s ILE 100 Cb -0.09 -0.16 -0.05 0.00 1.25 0.00 0.00 42.46 43.41 2dfs s ILE 100 CO 0.07 -0.25 1.28 -0.94 0.24 0.00 0.00 174.94 175.33 2dfs s SER 101 N -0.75 5.43 0.48 4.36 1.04 -1.26 -0.75 113.70 122.25 2dfs s SER 101 Ca -0.08 2.57 0.13 0.00 0.48 0.00 0.00 55.95 59.04 2dfs s SER 101 Cb -0.05 -2.62 1.11 0.00 0.10 0.00 0.00 66.02 64.56 2dfs s SER 101 CO -0.00 -1.45 2.10 0.00 0.98 0.00 0.00 173.24 174.87 2dfs h ALA 102 N 1.43 1.87 -0.12 5.32 0.00 -1.73 -1.28 119.26 124.74 2dfs h ALA 102 Ca -0.50 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dfs h ALA 102 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2dfs h ALA 102 CO 0.57 0.11 0.07 0.00 0.00 0.00 0.00 179.25 180.01 2dfs h ALA 103 N 1.89 0.15 -0.49 0.00 0.00 -1.91 -0.19 119.26 118.71 2dfs h ALA 103 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2dfs h ALA 103 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2dfs h ALA 103 CO -0.01 -0.34 0.13 0.93 0.00 0.00 0.00 179.25 179.97 2dfs h GLU 104 N 0.13 0.77 -0.45 0.00 5.08 -1.85 -1.20 114.58 117.06 2dfs h GLU 104 Ca 0.04 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2dfs h GLU 104 Cb 0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2dfs h GLU 104 CO -0.01 0.74 0.29 1.25 -1.00 0.00 0.00 179.01 180.28 2dfs h LEU 105 N 0.66 0.52 -0.53 1.33 5.85 -1.20 0.48 115.31 122.43 2dfs h LEU 105 Ca 0.16 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2dfs h LEU 105 Cb 0.30 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2dfs h LEU 105 CO -0.00 0.39 0.23 -0.09 -0.34 0.00 0.00 178.44 178.63 2dfs h ARG 106 N 0.60 0.78 -0.46 1.25 2.43 -1.01 -2.02 114.38 115.95 2dfs h ARG 106 Ca 0.16 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2dfs h ARG 106 Cb -0.05 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2dfs h ARG 106 CO -0.03 0.67 0.29 1.25 -1.51 0.00 0.00 179.97 180.63 2dfs h HIS 107 N 0.72 0.54 -0.62 2.20 2.76 -0.74 0.21 115.15 120.22 2dfs h HIS 107 Ca 0.18 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2dfs h HIS 107 Cb 0.16 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 2dfs h HIS 107 CO 0.00 0.32 0.23 -0.24 -1.30 0.00 0.00 177.93 176.94 2dfs h VAL 108 N 0.58 1.24 -0.36 5.26 3.04 -0.88 -0.23 116.25 124.89 2dfs h VAL 108 Ca 0.18 -0.78 -0.07 0.00 -1.01 0.00 0.00 66.70 65.02 2dfs h VAL 108 Cb -0.01 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 2dfs h VAL 108 CO -0.07 0.30 -0.06 0.24 -1.01 0.00 0.00 177.57 176.97 2dfs h MET 109 N 0.88 0.68 0.00 4.17 2.07 -0.97 -3.25 114.93 118.51 2dfs h MET 109 Ca 0.20 -0.25 -0.09 0.00 -2.07 0.00 0.00 59.70 57.50 2dfs h MET 109 Cb 0.24 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.91 2dfs h MET 109 CO -0.01 0.82 -2.00 0.25 1.07 0.00 0.00 176.91 177.04 2dfs n THR 110 N -4.42 0.35 -0.09 2.22 -2.24 0.72 -1.32 114.28 109.49 2dfs n THR 110 Ca -0.02 -0.54 -0.23 0.00 -2.27 0.00 0.00 64.05 60.99 2dfs n THR 110 Cb 0.32 -0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 2dfs n THR 110 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2dfs n ASN 111 N -2.32 1.96 -4.89 3.42 2.85 -0.11 -4.58 115.26 111.59 2dfs n ASN 111 Ca -0.11 0.29 -0.30 0.00 -0.11 0.00 0.00 54.58 54.35 2dfs n ASN 111 Cb 0.67 -0.84 0.06 0.00 1.24 0.00 0.00 39.78 40.91 2dfs n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2dfs s LEU 112 N -7.44 2.77 0.00 1.20 1.43 -1.13 -4.79 118.68 110.72 2dfs s LEU 112 Ca -0.31 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 2dfs s LEU 112 Cb 0.09 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2dfs s LEU 112 CO 0.60 -1.52 0.00 0.61 0.23 0.00 0.00 176.35 176.27 2dfs n GLY 113 N -3.07 2.81 2.13 -3.19 0.00 -1.26 -2.18 105.19 100.43 2dfs n GLY 113 Ca 0.07 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2dfs n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dfs n GLU 114 N 14.00 2.26 -0.03 1.61 1.02 -1.26 -5.00 120.64 133.24 2dfs n GLU 114 Ca 0.00 -2.71 0.00 0.00 -0.02 0.00 0.00 57.16 54.43 2dfs n GLU 114 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 2dfs n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2dfs n LYS 115 N -0.77 0.00 -2.01 3.49 5.02 -0.93 -4.96 118.16 118.01 2dfs n LYS 115 Ca 0.53 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.46 2dfs n LYS 115 Cb 1.11 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 36.16 2dfs n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dfs s LEU 116 N 0.00 3.67 0.66 -0.35 1.43 -0.43 -4.94 118.68 118.71 2dfs s LEU 116 Ca 0.00 2.40 -0.16 0.00 -1.03 0.00 0.00 54.13 55.34 2dfs s LEU 116 Cb 0.00 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.63 2dfs s LEU 116 CO 0.00 -1.60 1.16 0.42 0.23 0.00 0.00 176.35 176.56 2dfs s THR 117 N -1.58 2.79 0.25 5.49 -4.23 -1.26 -4.29 115.64 112.80 2dfs s THR 117 Ca 0.78 0.41 -0.05 0.00 -1.18 0.00 0.00 61.69 61.65 2dfs s THR 117 Cb -0.31 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.76 2dfs s THR 117 CO 0.33 -0.19 1.85 0.44 -0.54 0.00 0.00 174.62 176.52 2dfs h ASP 118 N 0.20 0.86 -0.97 3.99 3.32 -1.96 -2.26 116.42 119.61 2dfs h ASP 118 Ca -0.48 0.02 0.10 0.00 0.02 0.00 0.00 57.03 56.69 2dfs h ASP 118 Cb 1.27 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.58 2dfs h ASP 118 CO 0.53 0.55 0.61 1.05 -1.72 0.00 0.00 179.24 180.25 2dfs h GLU 119 N 1.00 0.97 -0.50 3.56 4.11 -1.98 0.33 114.58 122.08 2dfs h GLU 119 Ca 0.39 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.69 2dfs h GLU 119 Cb 0.19 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2dfs h GLU 119 CO -0.18 0.65 0.03 0.93 0.07 0.00 0.00 179.01 180.50 2dfs h GLU 120 N 1.00 0.86 -0.56 1.06 5.08 -1.84 -1.66 114.58 118.52 2dfs h GLU 120 Ca 0.46 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2dfs h GLU 120 Cb 0.38 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2dfs h GLU 120 CO -0.24 0.88 0.16 0.28 -1.00 0.00 0.00 179.01 179.10 2dfs h VAL 121 N 0.73 1.24 -0.53 3.13 2.07 -0.77 -1.70 116.25 120.43 2dfs h VAL 121 Ca 0.15 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2dfs h VAL 121 Cb 0.48 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2dfs h VAL 121 CO 0.02 0.31 0.35 0.44 0.02 0.00 0.00 177.57 178.71 2dfs h ASP 122 N 0.79 0.54 -0.36 0.57 5.19 -0.34 -0.62 116.42 122.19 2dfs h ASP 122 Ca 0.18 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.54 2dfs h ASP 122 Cb 0.30 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 2dfs h ASP 122 CO -0.00 0.38 0.06 -0.08 -3.12 0.00 0.00 179.24 176.48 2dfs h GLU 123 N 0.63 0.59 0.00 3.56 4.57 -1.02 -3.03 114.58 119.88 2dfs h GLU 123 Ca 0.21 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2dfs h GLU 123 Cb 0.05 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2dfs h GLU 123 CO -0.05 0.66 -0.32 0.52 -1.18 0.00 0.00 179.01 178.63 2dfs h MET 124 N 0.43 0.00 -0.39 1.92 2.86 -0.66 -2.68 114.93 116.42 2dfs h MET 124 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2dfs h MET 124 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2dfs h MET 124 CO 0.01 0.32 0.00 0.44 1.06 0.00 0.00 176.91 178.74 2dfs n ILE 125 N -3.96 0.52 -2.35 -1.22 -5.35 -0.30 -4.67 119.36 102.03 2dfs n ILE 125 Ca -0.02 -0.57 -0.42 0.00 -0.27 0.00 0.00 62.75 61.48 2dfs n ILE 125 Cb 0.38 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.63 2dfs n ILE 125 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2dfs s ARG 126 N -1.48 4.41 0.00 6.28 0.52 -1.01 -3.28 118.95 124.39 2dfs s ARG 126 Ca 0.32 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.39 2dfs s ARG 126 Cb 0.17 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.33 2dfs s ARG 126 CO 0.23 -0.28 0.00 -0.85 0.02 0.00 0.00 175.30 174.41 2dfs n GLU 127 N 3.76 0.00 -2.16 3.54 0.28 -1.26 -4.99 120.64 119.81 2dfs n GLU 127 Ca 0.09 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.66 2dfs n GLU 127 Cb 0.45 -1.04 -0.02 0.00 1.43 0.00 0.00 31.44 32.25 2dfs n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dfs s ALA 128 N -1.10 3.40 0.49 -1.84 0.00 -1.20 -4.97 121.76 116.54 2dfs s ALA 128 Ca 0.00 0.53 -0.24 0.00 0.00 0.00 0.00 51.96 52.25 2dfs s ALA 128 Cb 0.00 -3.79 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 2dfs s ALA 128 CO 0.00 -1.73 1.40 0.34 0.00 0.00 0.00 175.76 175.78 2dfs s ASP 129 N 3.65 5.60 -0.03 0.00 2.15 -1.26 -5.02 116.67 121.76 2dfs s ASP 129 Ca 0.68 2.86 -0.00 0.00 0.43 0.00 0.00 52.55 56.53 2dfs s ASP 129 Cb -0.25 -2.65 0.03 0.00 -0.30 0.00 0.00 42.92 39.75 2dfs s ASP 129 CO 0.27 -1.36 0.02 -0.51 -0.17 0.00 0.00 175.17 173.42 2dfs s ILE 130 N -1.24 0.03 0.17 4.11 1.10 -1.26 -4.61 121.20 119.49 2dfs s ILE 130 Ca 0.66 0.19 -0.03 0.00 -0.51 0.00 0.00 60.65 60.96 2dfs s ILE 130 Cb -0.42 -0.16 0.04 0.00 0.15 0.00 0.00 42.46 42.06 2dfs s ILE 130 CO 0.53 0.12 0.23 -0.90 -2.11 0.00 0.00 174.94 172.81 2dfs n ASP 131 N 4.28 0.05 0.10 4.50 5.75 -0.93 -4.92 116.55 125.37 2dfs n ASP 131 Ca -0.25 -1.10 0.13 0.00 -0.01 0.00 0.00 54.79 53.56 2dfs n ASP 131 Cb 0.50 -0.18 0.40 0.00 -1.03 0.00 0.00 41.12 40.82 2dfs n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dfs n GLY 132 N 3.45 -1.70 0.23 6.12 0.00 -1.26 -3.02 105.19 109.00 2dfs n GLY 132 Ca 0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2dfs n GLY 132 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dfs h ASP 133 N 0.00 0.85 0.00 1.61 -0.00 -2.05 -3.48 116.42 113.35 2dfs h ASP 133 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 57.03 56.52 2dfs h ASP 133 Cb 0.74 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 39.82 2dfs h ASP 133 CO 0.00 1.20 0.00 0.61 -0.00 0.00 0.00 179.24 181.05 2dfs n GLY 134 N 0.29 1.85 3.62 -0.78 0.00 -1.17 -5.07 105.19 103.95 2dfs n GLY 134 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2dfs n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dfs s GLN 135 N -0.12 2.28 -0.03 1.61 -0.21 -1.26 -1.90 119.66 120.03 2dfs s GLN 135 Ca 0.00 -1.04 0.07 0.00 0.02 0.00 0.00 55.36 54.41 2dfs s GLN 135 Cb 0.00 -2.35 -0.02 0.00 1.00 0.00 0.00 33.01 31.64 2dfs s GLN 135 CO 0.00 0.49 -0.25 0.54 -2.12 0.00 0.00 175.29 173.95 2dfs s VAL 136 N -1.44 1.96 -0.34 1.09 0.11 0.08 -2.19 120.40 119.66 2dfs s VAL 136 Ca 0.24 -1.05 -0.28 0.00 -2.93 0.00 0.00 61.98 57.97 2dfs s VAL 136 Cb -0.10 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.07 2dfs s VAL 136 CO 0.16 0.55 2.08 0.21 -3.33 0.00 0.00 175.10 174.78 2dfs s ASN 137 N -0.48 5.39 0.28 3.54 3.84 -1.26 -2.12 114.94 124.13 2dfs s ASN 137 Ca 0.07 1.40 0.25 0.00 0.21 0.00 0.00 52.86 54.79 2dfs s ASN 137 Cb -0.10 -2.52 0.69 0.00 -0.55 0.00 0.00 41.25 38.77 2dfs s ASN 137 CO 0.00 -2.09 1.73 0.10 -2.79 0.00 0.00 177.10 174.05 2dfs h TYR 138 N 15.18 0.00 -0.09 0.43 -0.00 -1.90 -2.03 116.97 128.56 2dfs h TYR 138 Ca -0.34 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.33 2dfs h TYR 138 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2dfs h TYR 138 CO 0.96 0.00 -0.18 1.49 -0.00 0.00 0.00 178.16 180.43 2dfs h GLU 139 N 0.00 0.28 -0.40 0.10 4.57 -1.89 -0.96 114.58 116.28 2dfs h GLU 139 Ca 0.00 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2dfs h GLU 139 Cb 0.80 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 2dfs h GLU 139 CO 0.00 0.77 0.23 1.49 -1.18 0.00 0.00 179.01 180.33 2dfs h GLU 140 N -0.17 0.55 -0.58 1.92 4.57 -1.94 -1.02 114.58 117.91 2dfs h GLU 140 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2dfs h GLU 140 Cb 0.77 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 2dfs h GLU 140 CO 0.04 0.42 0.36 0.35 -1.18 0.00 0.00 179.01 179.00 2dfs h PHE 141 N 0.52 0.75 -0.60 0.92 3.57 -1.40 0.26 116.94 120.95 2dfs h PHE 141 Ca 0.14 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 2dfs h PHE 141 Cb 0.02 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2dfs h PHE 141 CO -0.03 0.50 -0.01 -0.39 -2.23 0.00 0.00 178.31 176.15 2dfs h VAL 142 N 0.78 1.26 -0.32 1.41 -1.51 -1.07 -1.53 116.25 115.27 2dfs h VAL 142 Ca 0.21 -1.15 -0.01 0.00 -1.23 0.00 0.00 66.70 64.51 2dfs h VAL 142 Cb -0.04 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 29.91 2dfs h VAL 142 CO -0.04 0.42 0.16 1.56 -1.23 0.00 0.00 177.57 178.43 2dfs h GLN 143 N 0.96 0.46 -0.83 5.19 4.20 -0.85 -2.15 115.11 122.09 2dfs h GLN 143 Ca 0.17 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2dfs h GLN 143 Cb 0.56 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 2dfs h GLN 143 CO 0.03 0.43 0.47 0.52 -0.67 0.00 0.00 178.83 179.61 2dfs h MET 144 N 0.39 1.15 -0.26 1.46 2.86 -0.46 0.09 114.93 120.15 2dfs h MET 144 Ca 0.11 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2dfs h MET 144 Cb 0.11 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2dfs h MET 144 CO -0.01 0.84 0.01 0.00 1.06 0.00 0.00 176.91 178.81 2dfs h MET 145 N 1.16 0.46 0.16 1.72 -0.00 -1.23 -3.38 114.93 113.81 2dfs h MET 145 Ca 0.30 -0.14 -0.31 0.00 -0.00 0.00 0.00 59.70 59.54 2dfs h MET 145 Cb 0.01 -0.04 0.01 0.00 -0.00 0.00 0.00 31.60 31.57 2dfs h MET 145 CO -0.05 0.61 -1.48 1.79 -0.00 0.00 0.00 176.91 177.79 2dfs h THR 146 N 0.25 1.24 0.00 -0.10 1.35 -1.18 -3.36 112.91 111.11 2dfs h THR 146 Ca 0.08 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 2dfs h THR 146 Cb 0.40 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 2dfs h THR 146 CO 0.01 0.84 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 2dfs n ALA 147 N -2.67 1.66 1.41 6.62 0.00 -0.00 -5.10 120.51 122.43 2dfs n ALA 147 Ca -0.16 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.37 2dfs n ALA 147 Cb 1.06 -1.23 0.45 0.00 0.00 0.00 0.00 19.45 19.72 2dfs n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67