#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 2.40 -3.61 0.00 -0.00 -1.26 -4.88 120.64 113.29 2dfs n GLU 11 Ca 0.00 0.84 -0.22 0.00 -0.00 0.00 0.00 57.16 57.78 2dfs n GLU 11 Cb 0.00 -2.50 -0.16 0.00 -0.00 0.00 0.00 31.44 28.78 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 -1.11 0.04 0.26 -1.84 0.08 -1.26 -5.02 117.98 109.14 2dfs s PHE 12 Ca 0.54 0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.56 2dfs s PHE 12 Cb -0.52 -0.54 0.33 0.00 -0.57 0.00 0.00 43.02 41.71 2dfs s PHE 12 CO 0.63 -0.43 1.88 -0.22 -0.10 0.00 0.00 175.22 176.98 2dfs h LYS 13 N 8.40 1.11 -0.52 0.44 3.64 -1.99 -2.43 116.57 125.21 2dfs h LYS 13 Ca -0.14 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 2dfs h LYS 13 Cb 1.14 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 2dfs h LYS 13 CO 0.24 0.82 0.30 0.93 -2.27 0.00 0.00 179.45 179.47 2dfs h GLU 14 N 1.12 0.57 -0.79 1.90 4.39 -1.98 -0.43 114.58 119.36 2dfs h GLU 14 Ca 0.28 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 2dfs h GLU 14 Cb 0.04 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 2dfs h GLU 14 CO -0.04 0.38 0.37 0.00 -1.16 0.00 0.00 179.01 178.55 2dfs h ALA 15 N 1.25 1.15 -0.75 3.43 0.00 -1.91 -2.52 119.26 119.90 2dfs h ALA 15 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dfs h ALA 15 Cb 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2dfs h ALA 15 CO -0.11 0.64 0.45 0.35 0.00 0.00 0.00 179.25 180.57 2dfs h PHE 16 N 1.13 1.00 0.00 0.00 3.57 -1.04 -2.35 116.94 119.25 2dfs h PHE 16 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2dfs h PHE 16 Cb 0.13 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2dfs h PHE 16 CO 0.01 0.68 0.00 0.45 -2.23 0.00 0.00 178.31 177.22 2dfs n SER 17 N -4.50 0.04 -0.00 0.41 2.88 -0.21 -0.65 113.62 111.60 2dfs n SER 17 Ca 0.07 0.52 0.09 0.00 -1.33 0.00 0.00 58.87 58.22 2dfs n SER 17 Cb 0.06 -0.52 -0.13 0.00 -0.75 0.00 0.00 64.21 62.87 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 -1.55 0.56 -0.05 2.46 4.77 -0.90 -4.38 117.00 117.91 2dfs n LEU 18 Ca 0.01 -0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 55.47 2dfs n LEU 18 Cb 0.08 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.04 2dfs n LEU 18 CO 0.07 0.14 -0.54 -0.26 -1.33 0.00 0.00 177.39 175.47 2dfs h PHE 19 N 0.00 0.21 -2.25 -1.77 -1.00 -0.96 -3.43 116.94 107.74 2dfs h PHE 19 Ca 0.00 -0.16 -0.58 0.00 2.81 0.00 0.00 57.97 60.04 2dfs h PHE 19 Cb 0.63 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 2dfs h PHE 19 CO 0.00 1.56 1.40 0.34 -1.61 0.00 0.00 178.31 180.00 2dfs s ASP 20 N -6.92 5.66 0.00 2.17 2.15 0.18 -4.84 116.67 115.07 2dfs s ASP 20 Ca -0.25 1.72 0.07 0.00 0.43 0.00 0.00 52.55 54.53 2dfs s ASP 20 Cb 0.05 -2.52 0.21 0.00 -0.30 0.00 0.00 42.92 40.37 2dfs s ASP 20 CO 0.68 -1.82 1.17 0.29 -0.17 0.00 0.00 175.17 175.31 2dfs n LYS 21 N 8.57 2.87 0.00 4.34 5.02 -1.26 -4.55 118.16 133.15 2dfs n LYS 21 Ca 0.27 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 2dfs n LYS 21 Cb 0.45 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2dfs n LYS 21 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dfs n ASP 22 N 0.21 2.68 0.00 4.39 8.00 -1.26 -5.02 116.55 125.56 2dfs n ASP 22 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2dfs n ASP 22 Cb 0.37 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 2dfs n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dfs n GLY 23 N 1.74 0.40 0.27 0.44 0.00 -1.26 -4.95 105.19 101.83 2dfs n GLY 23 Ca 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 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 0.78 0.00 1.61 3.58 -1.95 -3.47 116.42 116.97 2dfs h ASP 24 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2dfs h ASP 24 Cb 0.08 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2dfs h ASP 24 CO 0.00 0.59 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 2dfs n GLY 25 N -1.22 1.52 3.44 -0.78 0.00 -1.26 -5.10 105.19 101.78 2dfs n GLY 25 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.18 2.32 0.14 2.61 -4.23 -1.26 -4.07 115.64 108.97 2dfs s THR 26 Ca 0.00 -2.27 0.06 0.00 -1.18 0.00 0.00 61.69 58.30 2dfs s THR 26 Cb 0.00 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 2dfs s THR 26 CO 0.00 -0.35 -0.15 0.27 -0.54 0.00 0.00 174.62 173.85 2dfs s ILE 27 N -2.34 1.44 0.47 2.99 -4.36 -0.03 -4.71 121.20 114.67 2dfs s ILE 27 Ca 0.26 -1.81 -0.24 0.00 -0.26 0.00 0.00 60.65 58.59 2dfs s ILE 27 Cb -0.05 -1.65 -0.08 0.00 1.25 0.00 0.00 42.46 41.93 2dfs s ILE 27 CO 0.12 -0.43 1.42 0.35 0.24 0.00 0.00 174.94 176.64 2dfs n THR 28 N 0.38 3.05 0.28 8.37 -2.24 -1.26 -0.52 114.28 122.34 2dfs n THR 28 Ca -0.14 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.26 2dfs n THR 28 Cb 0.57 -1.80 0.60 0.00 -2.10 0.00 0.00 70.33 67.60 2dfs n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2dfs h THR 29 N 2.09 0.00 -0.01 4.28 1.35 -1.73 -1.21 112.91 117.68 2dfs h THR 29 Ca -0.51 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2dfs h THR 29 Cb 1.28 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2dfs h THR 29 CO 0.60 0.00 -0.26 0.29 -0.25 0.00 0.00 175.52 175.90 2dfs n LYS 30 N -2.36 1.07 -0.31 4.72 4.76 -1.26 -3.26 118.16 121.51 2dfs n LYS 30 Ca 0.00 -0.70 0.10 0.00 -2.87 0.00 0.00 58.31 54.84 2dfs n LYS 30 Cb 0.14 -1.49 0.27 0.00 -1.84 0.00 0.00 35.03 32.11 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 -0.36 2.42 -0.19 1.97 -0.58 -0.46 -4.42 120.64 119.03 2dfs n GLU 31 Ca 0.13 -2.20 -0.01 0.00 -0.42 0.00 0.00 57.16 54.65 2dfs n GLU 31 Cb 0.38 -1.48 0.22 0.00 -0.57 0.00 0.00 31.44 30.00 2dfs n GLU 31 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dfs h LEU 32 N 3.58 0.84 -0.26 -4.62 5.85 -1.62 -1.71 115.31 117.36 2dfs h LEU 32 Ca 0.00 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 2dfs h LEU 32 Cb 0.82 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2dfs h LEU 32 CO 0.00 0.68 -0.53 1.23 -0.34 0.00 0.00 178.44 179.49 2dfs h GLY 33 N 1.00 0.90 1.20 3.75 0.00 -1.85 -2.75 103.07 105.32 2dfs h GLY 33 Ca 0.24 -1.07 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 2dfs h GLY 33 CO -0.04 0.96 -0.05 -0.91 0.00 0.00 0.00 176.54 176.50 2dfs h THR 34 N 0.58 1.26 -0.69 4.70 1.35 -1.84 -2.59 112.91 115.69 2dfs h THR 34 Ca 0.01 -1.16 -0.02 0.00 -0.55 0.00 0.00 66.41 64.69 2dfs h THR 34 Cb 1.14 0.90 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 2dfs h THR 34 CO 0.12 0.41 0.36 1.62 -0.25 0.00 0.00 175.52 177.78 2dfs h VAL 35 N 0.86 1.22 -0.96 6.82 3.04 -1.29 -1.65 116.25 124.29 2dfs h VAL 35 Ca 0.15 -0.58 0.03 0.00 -1.01 0.00 0.00 66.70 65.29 2dfs h VAL 35 Cb 0.58 0.35 -0.05 0.00 -2.01 0.00 0.00 31.29 30.15 2dfs h VAL 35 CO 0.03 0.25 0.63 0.24 -1.01 0.00 0.00 177.57 177.71 2dfs h MET 36 N 0.95 1.21 -0.40 4.17 2.86 -1.43 -2.52 114.93 119.76 2dfs h MET 36 Ca 0.24 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2dfs h MET 36 Cb 0.07 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.46 2dfs h MET 36 CO -0.04 0.80 0.00 0.54 1.06 0.00 0.00 176.91 179.27 2dfs n ARG 37 N -4.45 1.93 -0.00 1.72 1.74 -0.98 -2.26 116.66 114.36 2dfs n ARG 37 Ca 0.12 -1.34 0.05 0.00 -0.77 0.00 0.00 57.85 55.91 2dfs n ARG 37 Cb 0.07 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 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 0.55 1.12 -0.10 0.55 2.88 -0.65 -4.66 113.62 113.31 2dfs n SER 38 Ca 0.12 -0.52 -0.19 0.00 -1.33 0.00 0.00 58.87 56.95 2dfs n SER 38 Cb 0.34 1.14 -0.10 0.00 -0.75 0.00 0.00 64.21 64.84 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 0.00 0.00 2.46 5.85 -1.10 -3.50 115.31 119.02 2dfs h LEU 39 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2dfs h LEU 39 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2dfs h LEU 39 CO 0.00 1.38 0.00 0.61 -0.34 0.00 0.00 178.44 180.09 2dfs n GLY 40 N 1.46 -2.43 0.00 3.75 0.00 -1.02 -5.06 105.19 101.90 2dfs n GLY 40 Ca -0.28 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.50 0.00 -1.00 1.61 6.02 -1.24 -4.65 117.38 117.62 2dfs n GLN 41 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 2dfs n GLN 41 Cb 0.00 0.00 0.22 0.00 1.02 0.00 0.00 30.24 31.48 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 0.06 4.10 -4.57 1.08 3.02 -1.26 -3.70 115.26 114.00 2dfs n ASN 42 Ca 0.00 -3.25 -0.54 0.00 -0.03 0.00 0.00 54.58 50.76 2dfs n ASN 42 Cb 0.00 -0.76 -0.06 0.00 -0.61 0.00 0.00 39.78 38.34 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 -0.52 0.85 -1.01 3.52 -0.04 -1.26 -4.97 135.00 131.56 2dfs n PRO 43 Ca 0.45 0.31 -0.35 0.00 -0.04 0.00 0.00 63.50 63.86 2dfs n PRO 43 Cb 1.41 -1.91 0.07 0.00 -0.04 0.00 0.00 33.50 33.03 2dfs n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dfs n THR 44 N 2.27 0.38 0.03 0.52 -2.24 -1.26 -4.70 114.28 109.28 2dfs n THR 44 Ca 0.19 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 2dfs n THR 44 Cb 0.16 -0.36 0.28 0.00 -2.10 0.00 0.00 70.33 68.31 2dfs n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2dfs h GLU 45 N -0.95 0.46 0.08 -0.78 4.39 -1.99 -1.70 114.58 114.08 2dfs h GLU 45 Ca -0.44 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.16 2dfs h GLU 45 Cb 1.32 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 2dfs h GLU 45 CO 0.33 0.57 -0.19 0.00 -1.16 0.00 0.00 179.01 178.56 2dfs h ALA 46 N 1.46 -0.30 -0.93 3.43 0.00 -1.99 -2.35 119.26 118.58 2dfs h ALA 46 Ca 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2dfs h ALA 46 Cb 0.46 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2dfs h ALA 46 CO 0.03 -0.71 0.59 1.49 0.00 0.00 0.00 179.25 180.65 2dfs h GLU 47 N -0.35 1.06 -0.85 0.00 4.22 -1.83 0.79 114.58 117.62 2dfs h GLU 47 Ca 0.03 -0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.43 2dfs h GLU 47 Cb 0.39 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2dfs h GLU 47 CO -0.13 0.70 0.56 1.25 -2.18 0.00 0.00 179.01 179.21 2dfs h LEU 48 N 1.09 0.94 -0.24 1.64 5.85 -1.31 -1.28 115.31 122.00 2dfs h LEU 48 Ca 0.39 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.94 2dfs h LEU 48 Cb 0.13 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2dfs h LEU 48 CO -0.16 0.66 -0.49 1.56 -0.34 0.00 0.00 178.44 179.68 2dfs h GLN 49 N 1.11 0.75 -0.57 1.25 1.08 -0.37 -3.00 115.11 115.36 2dfs h GLN 49 Ca 0.33 -0.49 0.01 0.00 -1.45 0.00 0.00 58.65 57.05 2dfs h GLN 49 Cb -0.06 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2dfs h GLN 49 CO -0.09 1.11 0.37 -0.44 -0.95 0.00 0.00 178.83 178.83 2dfs h ASP 50 N 0.48 0.64 -0.84 1.46 3.32 -0.91 0.32 116.42 120.89 2dfs h ASP 50 Ca 0.01 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2dfs h ASP 50 Cb 1.10 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 2dfs h ASP 50 CO 0.11 0.46 0.42 0.00 -1.72 0.00 0.00 179.24 178.52 2dfs h MET 51 N 0.76 1.20 -0.55 3.56 -0.00 -1.30 -1.17 114.93 117.43 2dfs h MET 51 Ca 0.21 -0.16 -0.09 0.00 -0.00 0.00 0.00 59.70 59.65 2dfs h MET 51 Cb -0.08 -0.22 -0.02 0.00 -0.00 0.00 0.00 31.60 31.28 2dfs h MET 51 CO -0.05 0.91 -0.01 0.82 -0.00 0.00 0.00 176.91 178.58 2dfs h ILE 52 N 1.20 1.27 0.00 -0.10 2.04 -1.36 -3.25 117.51 117.30 2dfs h ILE 52 Ca 0.29 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2dfs h ILE 52 Cb 0.09 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2dfs h ILE 52 CO -0.04 0.41 -0.10 -1.13 0.00 0.00 0.00 178.15 177.29 2dfs h ASN 53 N 0.86 0.00 -0.21 1.72 -0.00 -0.44 -2.88 115.58 114.62 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 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.88 2dfs h ASN 53 CO 0.03 0.10 0.00 -1.84 -0.00 0.00 0.00 177.43 175.72 2dfs n GLU 54 N -3.19 1.72 -4.70 6.67 0.28 -0.49 -4.70 120.64 116.23 2dfs n GLU 54 Ca 0.01 -1.09 -0.31 0.00 -0.16 0.00 0.00 57.16 55.62 2dfs n GLU 54 Cb 0.42 -1.35 -0.13 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.73 2.68 0.00 3.84 0.11 -1.09 -5.01 120.40 119.21 2dfs s VAL 55 Ca 0.29 -1.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.09 2dfs s VAL 55 Cb 0.16 -2.12 -0.15 0.00 -1.53 0.00 0.00 36.38 32.73 2dfs s VAL 55 CO 0.23 0.34 2.60 -0.90 -3.33 0.00 0.00 175.10 174.04 2dfs n ASP 56 N 1.59 4.20 -0.89 3.54 5.75 -1.26 -4.03 116.55 125.45 2dfs n ASP 56 Ca -0.16 -2.24 0.03 0.00 -0.01 0.00 0.00 54.79 52.41 2dfs n ASP 56 Cb 0.52 -1.07 0.14 0.00 -1.03 0.00 0.00 41.12 39.69 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 2.32 2.87 -0.13 2.12 0.00 -1.26 -4.55 120.51 121.89 2dfs n ALA 57 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2dfs n ALA 57 Cb 0.64 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2dfs n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dfs n ASP 58 N 0.24 0.00 -0.12 0.00 2.03 -1.26 -1.41 116.55 116.03 2dfs n ASP 58 Ca 0.10 0.19 0.15 0.00 0.52 0.00 0.00 54.79 55.74 2dfs n ASP 58 Cb 0.51 -0.06 0.72 0.00 -0.72 0.00 0.00 41.12 41.57 2dfs n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dfs n GLY 59 N -0.81 -0.86 3.66 0.27 0.00 -1.26 -4.92 105.19 101.27 2dfs n GLY 59 Ca 0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.26 6.75 0.19 1.61 -0.87 -0.50 -4.90 114.94 114.95 2dfs s ASN 60 Ca 0.36 2.00 0.14 0.00 -1.57 0.00 0.00 52.86 53.80 2dfs s ASN 60 Cb 0.21 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.86 2dfs s ASN 60 CO 0.42 -0.88 1.23 1.23 -2.57 0.00 0.00 177.10 176.53 2dfs h GLY 61 N 10.12 0.00 -2.80 0.66 0.00 -1.91 -3.45 103.07 105.70 2dfs h GLY 61 Ca -0.34 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.75 2dfs h GLY 61 CO 0.96 0.00 -0.66 -0.51 0.00 0.00 0.00 176.54 176.34 2dfs s THR 62 N -2.90 0.43 -0.02 4.70 -4.23 -1.26 -2.19 115.64 110.17 2dfs s THR 62 Ca 0.01 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 2dfs s THR 62 Cb 0.08 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 2dfs s THR 62 CO 0.78 -0.49 -0.19 0.27 -0.54 0.00 0.00 174.62 174.44 2dfs s ILE 63 N -3.83 1.52 0.58 2.99 -4.36 0.32 -4.75 121.20 113.68 2dfs s ILE 63 Ca 0.23 -0.82 -0.03 0.00 -0.26 0.00 0.00 60.65 59.77 2dfs s ILE 63 Cb 0.07 -1.27 0.03 0.00 1.25 0.00 0.00 42.46 42.54 2dfs s ILE 63 CO 0.02 0.43 0.85 -0.62 0.24 0.00 0.00 174.94 175.86 2dfs s ASP 64 N -0.42 5.36 0.09 4.36 2.15 -1.26 -0.85 116.67 126.09 2dfs s ASP 64 Ca 0.07 0.36 -0.23 0.00 0.43 0.00 0.00 52.55 53.18 2dfs s ASP 64 Cb -0.08 -1.29 -0.14 0.00 -0.30 0.00 0.00 42.92 41.11 2dfs s ASP 64 CO -0.01 -1.15 1.73 0.15 -0.17 0.00 0.00 175.17 175.73 2dfs h PHE 65 N -0.10 0.04 -0.93 -5.34 3.57 -2.00 -2.15 116.94 110.03 2dfs h PHE 65 Ca -0.44 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.33 2dfs h PHE 65 Cb 1.28 -0.01 -0.15 0.00 2.79 0.00 0.00 35.95 39.86 2dfs h PHE 65 CO 0.41 0.05 0.31 -1.35 -2.23 0.00 0.00 178.31 175.49 2dfs h PRO 66 N 0.02 0.18 -0.15 6.41 0.11 -1.96 0.82 132.00 137.43 2dfs h PRO 66 Ca 0.01 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2dfs h PRO 66 Cb 0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2dfs h PRO 66 CO -0.00 0.12 -0.02 1.49 -0.21 0.00 0.00 178.00 179.38 2dfs h GLU 67 N 0.19 0.28 -0.90 1.05 4.22 -1.84 -1.92 114.58 115.66 2dfs h GLU 67 Ca 0.63 -0.10 0.05 0.00 0.08 0.00 0.00 59.36 60.01 2dfs h GLU 67 Cb 1.36 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 2dfs h GLU 67 CO -0.69 0.53 0.57 0.35 -2.18 0.00 0.00 179.01 177.60 2dfs h PHE 68 N 0.00 1.07 -0.61 0.92 3.57 -1.02 -1.34 116.94 119.53 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 0.42 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2dfs h PHE 68 CO 0.04 0.58 0.38 -0.07 -2.23 0.00 0.00 178.31 177.01 2dfs h LEU 69 N 1.08 0.62 -0.69 0.59 3.38 -0.76 -1.95 115.31 117.57 2dfs h LEU 69 Ca 0.37 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.23 2dfs h LEU 69 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2dfs h LEU 69 CO -0.14 0.43 -0.16 0.71 0.09 0.00 0.00 178.44 179.37 2dfs h THR 70 N 0.75 1.27 -0.34 0.22 1.35 -0.46 -1.88 112.91 113.81 2dfs h THR 70 Ca 0.24 -1.27 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 2dfs h THR 70 Cb 0.01 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 2dfs h THR 70 CO -0.09 0.43 0.18 0.24 -0.25 0.00 0.00 175.52 176.03 2dfs h MET 71 N 0.75 0.47 -0.59 4.72 2.86 -1.17 -1.93 114.93 120.05 2dfs h MET 71 Ca 0.11 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2dfs h MET 71 Cb 0.68 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 2dfs h MET 71 CO 0.05 0.41 0.11 0.00 1.06 0.00 0.00 176.91 178.54 2dfs h MET 72 N 0.42 0.94 -0.61 1.72 -0.00 -1.27 -1.55 114.93 114.57 2dfs h MET 72 Ca 0.12 -0.22 -0.09 0.00 -0.00 0.00 0.00 59.70 59.51 2dfs h MET 72 Cb 0.08 -0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 31.53 2dfs h MET 72 CO -0.02 0.87 0.05 0.00 -0.00 0.00 0.00 176.91 177.80 2dfs h ALA 73 N 1.22 0.92 -0.84 -3.00 0.00 -1.30 0.16 119.26 116.42 2dfs h ALA 73 Ca 0.19 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2dfs h ALA 73 Cb 0.37 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2dfs h ALA 73 CO 0.01 0.65 0.42 -0.09 0.00 0.00 0.00 179.25 180.24 2dfs h ARG 74 N 0.96 1.19 -0.37 0.00 2.43 -1.19 -3.27 114.38 114.13 2dfs h ARG 74 Ca 0.18 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2dfs h ARG 74 Cb 0.49 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2dfs h ARG 74 CO 0.02 0.90 0.00 1.63 -1.51 0.00 0.00 179.97 181.01 2dfs n LYS 75 N -4.32 3.41 -0.15 0.20 4.76 -0.60 -4.77 118.16 116.70 2dfs n LYS 75 Ca 0.08 -2.83 -0.03 0.00 -2.87 0.00 0.00 58.31 52.66 2dfs n LYS 75 Cb 0.13 -1.88 0.05 0.00 -1.84 0.00 0.00 35.03 31.49 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 2.50 0.23 -0.72 1.97 -0.00 -1.02 -2.15 114.93 115.74 2dfs h MET 76 Ca 0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 59.70 59.76 2dfs h MET 76 Cb 1.48 -0.05 -0.06 0.00 -0.00 0.00 0.00 31.60 32.97 2dfs h MET 76 CO 0.26 0.15 0.39 -0.22 -0.00 0.00 0.00 176.91 177.49 2dfs h LYS 77 N 0.24 0.66 -0.15 -0.10 3.11 -1.87 0.15 116.57 118.61 2dfs h LYS 77 Ca 0.23 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.93 2dfs h LYS 77 Cb 0.29 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 2dfs h LYS 77 CO -0.29 0.44 -0.29 -0.44 -2.81 0.00 0.00 179.45 176.05 2dfs h ASP 78 N 0.68 0.52 -0.72 4.20 3.32 -1.84 -3.17 116.42 119.41 2dfs h ASP 78 Ca 0.34 -0.55 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 2dfs h ASP 78 Cb 0.29 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2dfs h ASP 78 CO -0.23 0.97 0.21 0.71 -1.72 0.00 0.00 179.24 179.19 2dfs h THR 79 N 0.08 1.26 -0.83 0.35 1.35 -0.87 -2.56 112.91 111.70 2dfs h THR 79 Ca 0.01 -0.92 0.02 0.00 -0.55 0.00 0.00 66.41 64.96 2dfs h THR 79 Cb 0.89 0.49 -0.04 0.00 -1.73 0.00 0.00 68.15 67.75 2dfs h THR 79 CO 0.07 0.36 0.55 0.44 -0.25 0.00 0.00 175.52 176.68 2dfs h ASP 80 N 1.07 0.93 -0.60 5.36 3.32 -0.84 -3.00 116.42 122.66 2dfs h ASP 80 Ca 0.23 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.29 2dfs h ASP 80 Cb 0.32 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2dfs h ASP 80 CO -0.00 0.66 0.39 -1.28 -1.72 0.00 0.00 179.24 177.29 2dfs h SER 81 N 1.09 0.61 0.39 6.45 0.87 -1.42 -1.14 113.55 120.40 2dfs h SER 81 Ca 0.31 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2dfs h SER 81 Cb -0.08 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2dfs h SER 81 CO -0.08 0.43 0.00 -0.62 -0.53 0.00 0.00 176.83 176.03 2dfs n GLU 82 N -4.46 0.03 -0.06 2.24 -0.58 -1.13 -2.55 120.64 114.12 2dfs n GLU 82 Ca 0.07 0.35 0.02 0.00 -0.42 0.00 0.00 57.16 57.18 2dfs n GLU 82 Cb 0.12 -1.57 0.06 0.00 -0.57 0.00 0.00 31.44 29.48 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 -1.63 2.69 -0.07 3.49 0.28 -0.44 -4.05 120.64 120.91 2dfs n GLU 83 Ca 0.02 -1.64 -0.13 0.00 -0.16 0.00 0.00 57.16 55.26 2dfs n GLU 83 Cb 0.13 -1.10 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 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 0.79 0.42 -6.43 3.44 4.22 -1.38 -3.47 114.58 112.17 2dfs h GLU 84 Ca 0.00 -0.20 -0.54 0.00 0.08 0.00 0.00 59.36 58.70 2dfs h GLU 84 Cb 0.56 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 2dfs h GLU 84 CO 0.00 0.74 0.94 0.96 -2.18 0.00 0.00 179.01 179.47 2dfs s ILE 85 N -4.48 3.26 -0.02 2.32 -4.36 -1.26 -4.91 121.20 111.75 2dfs s ILE 85 Ca -0.14 0.69 0.00 0.00 -0.26 0.00 0.00 60.65 60.95 2dfs s ILE 85 Cb 0.06 -3.44 -0.00 0.00 1.25 0.00 0.00 42.46 40.32 2dfs s ILE 85 CO 0.76 -0.00 0.06 -2.11 0.24 0.00 0.00 174.94 173.89 2dfs n ARG 86 N 5.49 6.24 -4.25 0.37 1.85 -1.26 -5.06 116.66 120.02 2dfs n ARG 86 Ca 0.15 -0.04 -0.14 0.00 -1.00 0.00 0.00 57.85 56.82 2dfs n ARG 86 Cb 0.42 -0.56 -0.10 0.00 -1.05 0.00 0.00 32.46 31.17 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 -0.95 1.24 -0.48 2.89 1.03 -1.26 -5.13 118.70 116.04 2dfs s GLU 87 Ca 0.00 -1.65 0.05 0.00 0.03 0.00 0.00 54.97 53.41 2dfs s GLU 87 Cb 0.00 -0.08 0.24 0.00 -0.80 0.00 0.00 34.13 33.49 2dfs s GLU 87 CO 0.01 -0.28 0.90 0.00 -1.33 0.00 0.00 175.26 174.56 2dfs n ALA 88 N -0.33 -1.65 -1.41 -0.84 0.00 -1.26 -5.16 120.51 109.86 2dfs n ALA 88 Ca -0.02 -1.26 -0.36 0.00 0.00 0.00 0.00 53.44 51.80 2dfs n ALA 88 Cb 0.65 -1.51 0.08 0.00 0.00 0.00 0.00 19.45 18.67 2dfs n ALA 88 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2dfs n PHE 89 N 1.81 0.64 -4.29 0.00 -1.74 -1.26 -5.09 117.46 107.53 2dfs n PHE 89 Ca 0.10 0.40 -0.16 0.00 -0.56 0.00 0.00 57.45 57.23 2dfs n PHE 89 Cb 0.63 -2.09 -0.10 0.00 1.52 0.00 0.00 39.48 39.44 2dfs n PHE 89 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2dfs s ARG 90 N -3.21 1.20 -0.88 3.97 0.52 -1.26 -4.96 118.95 114.33 2dfs s ARG 90 Ca 0.74 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 2dfs s ARG 90 Cb -0.36 -0.73 0.00 0.00 0.52 0.00 0.00 34.95 34.39 2dfs s ARG 90 CO 0.50 0.05 0.00 1.55 0.02 0.00 0.00 175.30 177.41 2dfs n VAL 91 N -0.30 -0.26 -1.97 3.52 3.14 -1.26 -4.58 118.33 116.62 2dfs n VAL 91 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2dfs n VAL 91 Cb 0.61 -1.43 0.00 0.00 -1.06 0.00 0.00 33.84 31.97 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 -3.48 0.00 -3.75 1.45 3.01 -1.26 -5.05 117.46 108.38 2dfs n PHE 92 Ca -0.10 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.23 2dfs n PHE 92 Cb 0.47 0.15 -0.12 0.00 -0.01 0.00 0.00 39.48 39.97 2dfs n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2dfs s ASP 93 N -0.00 -0.30 0.00 4.37 2.15 -1.26 -4.87 116.67 116.75 2dfs s ASP 93 Ca 0.00 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.56 2dfs s ASP 93 Cb 0.00 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.14 2dfs s ASP 93 CO 0.00 -0.14 0.00 1.17 -0.17 0.00 0.00 175.17 176.03 2dfs n LYS 94 N 3.63 3.32 -0.36 4.34 0.00 -1.26 -4.70 118.16 123.13 2dfs n LYS 94 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.14 2dfs n LYS 94 Cb 0.56 -0.61 0.17 0.00 0.00 0.00 0.00 35.03 35.15 2dfs n LYS 94 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2dfs h ASP 95 N 0.00 1.01 -0.32 3.14 3.32 -2.00 -3.47 116.42 118.10 2dfs h ASP 95 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2dfs h ASP 95 Cb 0.08 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2dfs h ASP 95 CO 0.00 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 2dfs n GLY 96 N -1.36 0.77 0.24 2.75 0.00 -1.26 -4.97 105.19 101.36 2dfs n GLY 96 Ca 0.15 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.32 0.00 1.61 2.35 -1.95 -3.46 115.58 114.45 2dfs h ASN 97 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2dfs h ASN 97 Cb 0.83 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2dfs h ASN 97 CO 0.00 0.52 0.00 0.61 -1.65 0.00 0.00 177.43 176.91 2dfs n GLY 98 N -0.66 0.75 3.29 2.83 0.00 -1.26 -5.05 105.19 105.09 2dfs n GLY 98 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.46 1.86 0.01 1.61 2.02 -1.26 -3.20 117.35 115.93 2dfs s TYR 99 Ca 0.00 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2dfs s TYR 99 Cb 0.00 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.50 2dfs s TYR 99 CO 0.00 0.18 -0.04 0.96 -1.57 0.00 0.00 175.55 175.08 2dfs s ILE 100 N -1.03 0.32 0.53 2.71 -4.36 -0.79 -4.81 121.20 113.77 2dfs s ILE 100 Ca 0.08 -0.42 -0.23 0.00 -0.26 0.00 0.00 60.65 59.82 2dfs s ILE 100 Cb -0.10 -0.32 -0.06 0.00 1.25 0.00 0.00 42.46 43.24 2dfs s ILE 100 CO 0.04 -0.07 1.39 -0.94 0.24 0.00 0.00 174.94 175.60 2dfs s SER 101 N -0.53 5.36 0.44 4.36 1.04 -1.26 -0.67 113.70 122.44 2dfs s SER 101 Ca -0.03 2.84 0.11 0.00 0.48 0.00 0.00 55.95 59.35 2dfs s SER 101 Cb -0.04 -2.64 0.98 0.00 0.10 0.00 0.00 66.02 64.42 2dfs s SER 101 CO -0.00 -1.52 2.06 0.00 0.98 0.00 0.00 173.24 174.76 2dfs h ALA 102 N 1.63 1.76 -0.09 5.32 0.00 -1.72 -1.23 119.26 124.93 2dfs h ALA 102 Ca -0.51 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.35 2dfs h ALA 102 Cb 1.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2dfs h ALA 102 CO 0.58 0.20 0.04 0.00 0.00 0.00 0.00 179.25 180.07 2dfs h ALA 103 N 1.81 0.11 -0.63 0.00 0.00 -1.91 0.31 119.26 118.94 2dfs h ALA 103 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2dfs h ALA 103 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2dfs h ALA 103 CO -0.01 -0.42 0.12 0.93 0.00 0.00 0.00 179.25 179.88 2dfs h GLU 104 N 0.10 1.03 -0.60 0.00 5.08 -1.85 -1.28 114.58 117.05 2dfs h GLU 104 Ca 0.04 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2dfs h GLU 104 Cb 0.01 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2dfs h GLU 104 CO -0.03 0.95 0.35 1.25 -1.00 0.00 0.00 179.01 180.53 2dfs h LEU 105 N 0.95 0.74 -0.42 1.33 5.85 -1.15 -0.95 115.31 121.67 2dfs h LEU 105 Ca 0.19 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2dfs h LEU 105 Cb 0.40 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2dfs h LEU 105 CO 0.01 0.60 0.19 0.03 -0.34 0.00 0.00 178.44 178.93 2dfs h ARG 106 N 0.81 0.61 -0.51 1.25 3.08 -0.87 -2.90 114.38 115.85 2dfs h ARG 106 Ca 0.21 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.20 2dfs h ARG 106 Cb 0.01 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2dfs h ARG 106 CO -0.04 0.54 0.30 1.25 -1.07 0.00 0.00 179.97 180.95 2dfs h HIS 107 N 0.53 0.55 -0.38 3.04 2.76 -0.94 0.11 115.15 120.83 2dfs h HIS 107 Ca 0.14 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2dfs h HIS 107 Cb 0.14 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2dfs h HIS 107 CO -0.01 0.31 0.19 -0.24 -1.30 0.00 0.00 177.93 176.88 2dfs h VAL 108 N 0.59 1.17 -0.44 5.26 3.04 -1.22 -0.57 116.25 124.08 2dfs h VAL 108 Ca 0.21 -0.46 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 2dfs h VAL 108 Cb 0.05 0.77 -0.02 0.00 -2.01 0.00 0.00 31.29 30.08 2dfs h VAL 108 CO -0.11 0.18 0.15 0.24 -1.01 0.00 0.00 177.57 177.02 2dfs h MET 109 N 0.48 0.67 -0.02 4.17 2.07 -1.25 -2.54 114.93 118.51 2dfs h MET 109 Ca 0.13 -0.14 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2dfs h MET 109 Cb 0.11 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 2dfs h MET 109 CO -0.02 0.64 -0.27 0.25 1.07 0.00 0.00 176.91 178.58 2dfs n THR 110 N -4.58 0.00 0.00 2.22 -2.24 0.34 -0.65 114.28 109.38 2dfs n THR 110 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2dfs n THR 110 Cb 0.17 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.29 3.48 -4.96 3.42 4.05 -0.23 -4.68 115.26 116.64 2dfs n ASN 111 Ca 0.09 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.90 2dfs n ASN 111 Cb 0.43 0.33 -0.02 0.00 1.23 0.00 0.00 39.78 41.74 2dfs n ASN 111 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dfs s LEU 112 N -3.23 4.26 0.00 1.20 1.43 -0.96 -4.91 118.68 116.48 2dfs s LEU 112 Ca 0.00 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2dfs s LEU 112 Cb 0.00 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2dfs s LEU 112 CO 0.00 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.09 2dfs n GLY 113 N -1.38 2.01 2.65 -3.19 0.00 -1.26 -3.51 105.19 100.51 2dfs n GLY 113 Ca -0.08 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 9.97 3.19 -0.63 1.61 1.02 -1.26 -4.95 120.64 129.59 2dfs n GLU 114 Ca 0.00 -2.68 -0.25 0.00 -0.02 0.00 0.00 57.16 54.21 2dfs n GLU 114 Cb 0.00 -3.12 -0.03 0.00 -0.02 0.00 0.00 31.44 28.27 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 5.13 0.00 -2.11 3.49 4.01 -1.23 -4.99 118.16 122.46 2dfs n LYS 115 Ca 0.56 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 58.04 2dfs n LYS 115 Cb 0.35 -0.59 -0.01 0.00 -0.51 0.00 0.00 35.03 34.27 2dfs n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2dfs s LEU 116 N 0.49 3.45 0.61 -0.35 1.43 0.18 -4.97 118.68 119.51 2dfs s LEU 116 Ca 0.38 1.58 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 2dfs s LEU 116 Cb -0.54 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.14 2dfs s LEU 116 CO 0.27 -0.85 1.03 0.42 0.23 0.00 0.00 176.35 177.45 2dfs s THR 117 N -2.78 4.40 0.31 5.49 -4.23 -1.26 -4.32 115.64 113.24 2dfs s THR 117 Ca 0.59 0.90 -0.00 0.00 -1.18 0.00 0.00 61.69 62.00 2dfs s THR 117 Cb -0.12 -3.67 0.20 0.00 1.34 0.00 0.00 72.50 70.26 2dfs s THR 117 CO 0.41 -0.90 1.90 0.44 -0.54 0.00 0.00 174.62 175.93 2dfs h ASP 118 N -0.04 0.77 -0.81 3.99 3.32 -1.97 -1.93 116.42 119.75 2dfs h ASP 118 Ca -0.45 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 56.55 2dfs h ASP 118 Cb 1.20 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 2dfs h ASP 118 CO 0.60 0.67 0.52 1.05 -1.72 0.00 0.00 179.24 180.36 2dfs h GLU 119 N 0.85 0.99 -0.40 3.56 4.11 -1.98 0.20 114.58 121.90 2dfs h GLU 119 Ca 0.21 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.57 2dfs h GLU 119 Cb 0.12 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2dfs h GLU 119 CO -0.02 0.65 0.23 0.93 0.07 0.00 0.00 179.01 180.87 2dfs h GLU 120 N 1.02 0.56 -0.66 1.06 5.08 -1.85 -2.17 114.58 117.61 2dfs h GLU 120 Ca 0.32 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2dfs h GLU 120 Cb -0.00 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2dfs h GLU 120 CO -0.11 0.44 0.15 0.28 -1.00 0.00 0.00 179.01 178.77 2dfs h VAL 121 N 0.52 1.26 -0.98 3.13 2.07 -1.09 -2.38 116.25 118.77 2dfs h VAL 121 Ca 0.14 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.73 2dfs h VAL 121 Cb 0.04 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2dfs h VAL 121 CO -0.02 0.36 0.65 -0.78 0.02 0.00 0.00 177.57 177.79 2dfs h ASP 122 N 1.00 1.10 -0.92 0.57 3.58 -0.52 -1.51 116.42 119.72 2dfs h ASP 122 Ca 0.21 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.65 2dfs h ASP 122 Cb 0.37 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 2dfs h ASP 122 CO 0.00 0.78 0.61 -0.08 -2.88 0.00 0.00 179.24 177.67 2dfs h GLU 123 N 1.29 1.22 0.00 0.28 4.57 -1.10 -2.48 114.58 118.36 2dfs h GLU 123 Ca 0.37 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2dfs h GLU 123 Cb -0.09 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.22 2dfs h GLU 123 CO -0.10 0.81 0.00 0.52 -1.18 0.00 0.00 179.01 179.06 2dfs h MET 124 N 1.25 0.00 -0.14 1.92 2.86 -0.87 -3.00 114.93 116.94 2dfs h MET 124 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 2dfs h MET 124 Cb -0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.52 2dfs h MET 124 CO -0.07 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.34 2dfs n ILE 125 N -2.49 0.16 -2.02 -1.22 -5.35 -0.63 -4.74 119.36 103.07 2dfs n ILE 125 Ca 0.04 -0.58 -0.42 0.00 -0.27 0.00 0.00 62.75 61.52 2dfs n ILE 125 Cb 0.38 1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 39.59 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 -1.84 4.24 -0.63 6.28 0.52 -0.96 -2.78 118.95 123.78 2dfs s ARG 126 Ca 0.32 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 2dfs s ARG 126 Cb 0.21 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 32.30 2dfs s ARG 126 CO 0.31 -0.61 0.00 -1.91 0.02 0.00 0.00 175.30 173.10 2dfs n GLU 127 N 4.72 -0.82 -3.61 3.54 2.13 -1.26 -4.99 120.64 120.34 2dfs n GLU 127 Ca 0.14 0.60 -0.38 0.00 0.66 0.00 0.00 57.16 58.18 2dfs n GLU 127 Cb 0.41 -4.45 -0.11 0.00 0.27 0.00 0.00 31.44 27.56 2dfs n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dfs s ALA 128 N -2.01 3.44 0.51 4.31 0.00 -1.12 -5.06 121.76 121.84 2dfs s ALA 128 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 2dfs s ALA 128 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.61 2dfs s ALA 128 CO 0.00 -0.67 1.36 0.34 0.00 0.00 0.00 175.76 176.80 2dfs s ASP 129 N 1.72 5.54 -0.02 0.00 2.15 -1.26 -5.02 116.67 119.77 2dfs s ASP 129 Ca 0.06 2.78 -0.00 0.00 0.43 0.00 0.00 52.55 55.82 2dfs s ASP 129 Cb -0.16 -2.64 0.03 0.00 -0.30 0.00 0.00 42.92 39.85 2dfs s ASP 129 CO 0.09 -1.39 0.03 -0.51 -0.17 0.00 0.00 175.17 173.22 2dfs s ILE 130 N -1.29 -0.06 0.00 4.11 1.10 -1.26 -4.61 121.20 119.19 2dfs s ILE 130 Ca 0.67 0.22 0.00 0.00 -0.51 0.00 0.00 60.65 61.03 2dfs s ILE 130 Cb -0.41 -0.08 0.00 0.00 0.15 0.00 0.00 42.46 42.12 2dfs s ILE 130 CO 0.49 0.09 0.00 -0.90 -2.11 0.00 0.00 174.94 172.51 2dfs n ASP 131 N 4.18 0.00 0.15 4.50 5.75 -0.98 -4.92 116.55 125.23 2dfs n ASP 131 Ca -0.28 -0.63 0.12 0.00 -0.01 0.00 0.00 54.79 53.99 2dfs n ASP 131 Cb 0.50 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.73 2dfs n ASP 131 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2dfs h GLY 132 N 0.00 0.00 1.05 6.12 0.00 -2.02 -3.20 103.07 105.03 2dfs h GLY 132 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2dfs h GLY 132 CO 0.00 0.00 -0.21 -1.80 0.00 0.00 0.00 176.54 174.53 2dfs h ASP 133 N 0.00 0.91 0.00 0.19 -0.00 -2.05 -3.48 116.42 111.99 2dfs h ASP 133 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 57.03 56.62 2dfs h ASP 133 Cb 0.94 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 40.02 2dfs h ASP 133 CO 0.00 1.11 0.00 0.61 -0.00 0.00 0.00 179.24 180.96 2dfs n GLY 134 N -0.06 1.84 3.60 -0.78 0.00 -1.21 -5.06 105.19 103.52 2dfs n GLY 134 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 2.20 -0.03 1.61 -0.21 -1.26 -1.85 119.66 119.97 2dfs s GLN 135 Ca 0.00 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 54.37 2dfs s GLN 135 Cb 0.00 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.69 2dfs s GLN 135 CO 0.00 0.49 -0.24 0.54 -2.12 0.00 0.00 175.29 173.96 2dfs s VAL 136 N -1.42 1.91 -0.32 1.09 0.11 0.15 -2.33 120.40 119.59 2dfs s VAL 136 Ca 0.24 -1.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.00 2dfs s VAL 136 Cb -0.10 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.11 2dfs s VAL 136 CO 0.15 0.54 2.17 0.21 -3.33 0.00 0.00 175.10 174.84 2dfs s ASN 137 N -0.39 5.29 0.40 3.54 3.84 -1.26 -1.89 114.94 124.47 2dfs s ASN 137 Ca 0.04 1.52 0.22 0.00 0.21 0.00 0.00 52.86 54.85 2dfs s ASN 137 Cb -0.11 -2.51 0.50 0.00 -0.55 0.00 0.00 41.25 38.58 2dfs s ASN 137 CO 0.01 -2.15 1.65 0.10 -2.79 0.00 0.00 177.10 173.92 2dfs h TYR 138 N 15.70 0.00 -0.22 0.43 -0.00 -1.91 -1.93 116.97 129.04 2dfs h TYR 138 Ca -0.35 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.28 2dfs h TYR 138 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.96 2dfs h TYR 138 CO 0.95 0.22 -0.24 1.49 -0.00 0.00 0.00 178.16 180.58 2dfs h GLU 139 N 0.00 0.56 -0.47 0.10 4.57 -1.89 0.16 114.58 117.61 2dfs h GLU 139 Ca -0.00 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 2dfs h GLU 139 Cb 1.01 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 2dfs h GLU 139 CO 0.03 0.89 0.21 1.49 -1.18 0.00 0.00 179.01 180.45 2dfs h GLU 140 N 0.25 0.68 -0.64 1.92 4.57 -1.94 -1.81 114.58 117.60 2dfs h GLU 140 Ca 0.03 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2dfs h GLU 140 Cb 0.80 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 2dfs h GLU 140 CO 0.06 0.59 0.40 0.35 -1.18 0.00 0.00 179.01 179.22 2dfs h PHE 141 N 0.61 0.83 -0.42 0.92 3.57 -1.26 0.34 116.94 121.53 2dfs h PHE 141 Ca 0.16 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 2dfs h PHE 141 Cb 0.14 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2dfs h PHE 141 CO -0.00 0.56 0.05 -0.39 -2.23 0.00 0.00 178.31 176.29 2dfs h VAL 142 N 0.87 1.25 -0.37 1.41 -1.51 -0.94 -1.68 116.25 115.28 2dfs h VAL 142 Ca 0.23 -0.93 -0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2dfs h VAL 142 Cb -0.04 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 2dfs h VAL 142 CO -0.05 0.32 0.21 1.56 -1.23 0.00 0.00 177.57 178.39 2dfs h GLN 143 N 0.56 0.50 -0.18 5.19 4.20 -0.99 -1.43 115.11 122.96 2dfs h GLN 143 Ca 0.13 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2dfs h GLN 143 Cb 0.41 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2dfs h GLN 143 CO 0.01 0.39 -0.03 0.52 -0.67 0.00 0.00 178.83 179.05 2dfs h MET 144 N 0.47 0.26 -0.12 1.46 2.86 -0.32 0.14 114.93 119.68 2dfs h MET 144 Ca 0.13 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 2dfs h MET 144 Cb 0.02 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2dfs h MET 144 CO -0.02 0.31 -0.34 0.00 1.06 0.00 0.00 176.91 177.92 2dfs h MET 145 N 0.26 0.44 0.12 1.72 -0.00 -1.06 -3.38 114.93 113.02 2dfs h MET 145 Ca 0.06 -0.31 -0.23 0.00 -0.00 0.00 0.00 59.70 59.21 2dfs h MET 145 Cb 0.22 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 2dfs h MET 145 CO 0.01 0.93 -1.15 1.79 -0.00 0.00 0.00 176.91 178.48 2dfs h THR 146 N 0.03 1.22 0.00 -0.10 1.35 -0.97 -3.37 112.91 111.07 2dfs h THR 146 Ca -0.01 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2dfs h THR 146 Cb 0.95 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 2dfs h THR 146 CO 0.07 0.69 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 2dfs n ALA 147 N -2.87 1.69 0.39 6.62 0.00 0.47 -5.09 120.51 121.71 2dfs n ALA 147 Ca -0.21 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.33 2dfs n ALA 147 Cb 0.85 -1.38 0.19 0.00 0.00 0.00 0.00 19.45 19.10 2dfs n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13